Ligand: 3NG (Silmitasertib)

Total number of chains: 38
Active chains: 12
Total number of genes: 10
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 36 94.7% 9Q9DA
DFGin ABAminus 1 2.6% 6KHDC
DFGin None 1 2.6% 6KHDA

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CAMK PIM1 PIM1_HUMAN 5O11A 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 34 - 305 0 SEP261 None Serine/threonine-protein kinase pim-1
CMGC CLK1 CLK1_HUMAN 6KHDC 2.7 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 3NG Type1 150 - 479 0 None None Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDB 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiio APEdist_iiii 3NG Type1 149 - 482 0 None None Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDA 2.7 Inactive DFGin‑None in-in in-out nonTYR APEdihe_aannn APEdist_ioon 3NG Type1 149 - 481 0 None None Dual specificity protein kinase CLK1
CMGC CLK2 CLK2_HUMAN 6FYLA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 144 - 483 0 None None Dual specificity protein kinase CLK2
CMGC CLK2 CLK2_HUMAN 6KHEA 2.8 Inactive DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 144 - 485 0 None None Dual specificity protein kinase CLK2
CMGC CLK3 CLK3_HUMAN 6FYPA 2.29 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 482 0 None None Dual specificity protein kinase CLK3
CMGC CLK3 CLK3_HUMAN 6KHFA 2.598 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_oioi 3NG Type1 142 - 481 0 None None Dual specificity protein kinase CLK3
CMGC CLK4 CLK4_HUMAN 6FYVA 2.46 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 148 - 479 0 None None Dual specificity protein kinase CLK4
CMGC CSNK2A1 CSK21_HUMAN 9HYHA 1.96 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii SY4, 3NG Allosteric, Type1 2 - 333 0 None None Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAA 2.71 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 2 - 332 0 None None Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAB 2.71 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 2 - 332 0 None None Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3PE1A 1.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 3 - 329 0 None None Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HYHB 1.96 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, SY4 Type1, Allosteric 2 - 332 0 None None Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHA 2.07 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, T9Y Type1, Allosteric 2 - 332 0 None None Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHB 2.07 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, T9Y Type1, Allosteric 2 - 332 0 None None Casein kinase II subunit alpha
CMGC CSNK2A2 CSK22_HUMAN 8QBUA 1.09 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 42J, 3NG Allosteric, Type1 6 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9IHIA 1.23 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii SY4, 3NG Allosteric, Type1 7 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9BA 1.84 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii VN9, 3NG Allosteric, Type1 7 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QB6A 1.05 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RDV, 3NG Allosteric, Type1 7 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QABA 0.95 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RA7, 3NG, RA7 Allosteric, Type1, Allosteric 7 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 6HMBA 1.04 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 7 - 334 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9HK5A 1.491 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 7 - 334 0 None P32V,V83I,T101I,C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9AA 1.03 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, A1I4V Type1, Allosteric 7 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9DA 0.89 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, R9G Type1, Allosteric 7 - 332 0 None C336S Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QAGA 1.01 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, RBJ Type1, Allosteric 7 - 333 0 None C336S Casein kinase II subunit alpha'
CMGC DYRK1A DYR1A_HUMAN 7Z5NA 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NB 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NC 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 134 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5ND 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NE 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NF 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NG 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 137 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NH 2.77 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aaini APEdist_niii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 7Z1FA 3.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 28 - 383 0 PTR216 None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1FB 3.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 38 - 382 0 PTR216 None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1GA 2.85 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 27 - 383 0 None None Glycogen synthase kinase-3 beta
CMGC HIPK2 HIPK2_HUMAN 6P5SA 2.194 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 185 - 535 0 PTR361,SEP441 None Homeodomain-interacting protein kinase 2

Ligand: 3NG (Silmitasertib)

Total number of chains: 39
Active chains: 12
Total number of genes: 11
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 37 94.9% 9Q9DA
DFGin ABAminus 1 2.6% 6KHDC
DFGin None 1 2.6% 6KHDA

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC CKA1 J9VNH4_CRYN9 6K3LB 2.09 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 5 - 333 0 None None Casein kinase II subunit alpha Cryptococcus neoformans
CAMK PIM1 PIM1_HUMAN 5O11A 2.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 34 - 305 0 SEP261 None Serine/threonine-protein kinase pim-1 Homo sapiens
CMGC CLK1 CLK1_HUMAN 6KHDC 2.7 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 3NG Type1 150 - 479 0 None None Dual specificity protein kinase CLK1 Homo sapiens
CMGC CLK1 CLK1_HUMAN 6KHDB 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiio APEdist_iiii 3NG Type1 149 - 482 0 None None Dual specificity protein kinase CLK1 Homo sapiens
CMGC CLK1 CLK1_HUMAN 6KHDA 2.7 Inactive DFGin‑None in-in in-out nonTYR APEdihe_aannn APEdist_ioon 3NG Type1 149 - 481 0 None None Dual specificity protein kinase CLK1 Homo sapiens
CMGC CLK2 CLK2_HUMAN 6FYLA 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 144 - 483 0 None None Dual specificity protein kinase CLK2 Homo sapiens
CMGC CLK2 CLK2_HUMAN 6KHEA 2.8 Inactive DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 144 - 485 0 None None Dual specificity protein kinase CLK2 Homo sapiens
CMGC CLK3 CLK3_HUMAN 6FYPA 2.29 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 482 0 None None Dual specificity protein kinase CLK3 Homo sapiens
CMGC CLK3 CLK3_HUMAN 6KHFA 2.598 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_oioi 3NG Type1 142 - 481 0 None None Dual specificity protein kinase CLK3 Homo sapiens
CMGC CLK4 CLK4_HUMAN 6FYVA 2.46 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 148 - 479 0 None None Dual specificity protein kinase CLK4 Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 9HYHA 1.96 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii SY4, 3NG Allosteric, Type1 2 - 333 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 3NGAA 2.71 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 2 - 332 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 3NGAB 2.71 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 2 - 332 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 3PE1A 1.6 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 3 - 329 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 9HYHB 1.96 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, SY4 Type1, Allosteric 2 - 332 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 9HZHA 2.07 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, T9Y Type1, Allosteric 2 - 332 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A1 CSK21_HUMAN 9HZHB 2.07 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, T9Y Type1, Allosteric 2 - 332 0 None None Casein kinase II subunit alpha Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 8QBUA 1.09 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 42J, 3NG Allosteric, Type1 6 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9IHIA 1.23 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii SY4, 3NG Allosteric, Type1 7 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9Q9BA 1.84 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii VN9, 3NG Allosteric, Type1 7 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9QB6A 1.05 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RDV, 3NG Allosteric, Type1 7 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9QABA 0.95 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RA7, 3NG, RA7 Allosteric, Type1, Allosteric 7 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 6HMBA 1.04 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 7 - 334 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9HK5A 1.491 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 7 - 334 0 None P32V,V83I,T101I,C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9Q9AA 1.03 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, A1I4V Type1, Allosteric 7 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9Q9DA 0.89 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, R9G Type1, Allosteric 7 - 332 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC CSNK2A2 CSK22_HUMAN 9QAGA 1.01 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG, RBJ Type1, Allosteric 7 - 333 0 None C336S Casein kinase II subunit alpha' Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NA 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NB 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NC 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 134 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5ND 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NE 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NF 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NG 2.77 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 137 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC DYRK1A DYR1A_HUMAN 7Z5NH 2.77 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aaini APEdist_niii 3NG Type1 135 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC GSK3B GSK3B_HUMAN 7Z1FA 3.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 28 - 383 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 7Z1FB 3.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 38 - 382 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 7Z1GA 2.85 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3NG Type1 27 - 383 0 None None Glycogen synthase kinase-3 beta Homo sapiens
CMGC HIPK2 HIPK2_HUMAN 6P5SA 2.194 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 185 - 535 0 PTR361,SEP441 None Homeodomain-interacting protein kinase 2 Homo sapiens

Ligand: 3NG (Silmitasertib)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 6K3LB

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC CKA1 J9VNH4_CRYN9 6K3LB 2.09 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 3NG Type1 5 - 333 0 None None Casein kinase II subunit alpha Cryptococcus neoformans