Ligand: FE

Total number of chains: 8
Active chains: 6
Total number of genes: 6
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 87.5% 4U8ZA
DFGin BLBminus 1 12.5% 6T41A

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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
AGC AKT1 AKT1_HUMAN 3MV5A 2.47 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii XFE Type1 144 - 477 0 TPO308 S473D RAC-alpha serine/threonine-protein kinase
AGC AKT1 AKT1_HUMAN 3MVHA 2.01 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii WFE Type1 145 - 476 0 TPO308 S473D RAC-alpha serine/threonine-protein kinase
AGC PRKACA KAPCA_HUMAN 3MVJA 2.49 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii XFE Type1 16 - 351 0 TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha
AGC PRKACA KAPCA_HUMAN 3MVJE 2.49 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii XFE Type1 16 - 351 0 TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha
CAMK CHEK1 CHK1_HUMAN 5OP5A 1.9 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3FE Type1 4 - 270 0 None N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S Serine/threonine-protein kinase Chk1
CMGC CDK8 CDK8_HUMAN 6T41A 2.45 Inactive DFGin‑BLBminus in-in out-out nonTYR APEdihe_aanoi APEdist_nnnn MFE Type1 1 - 359 0 None None Cyclin-dependent kinase 8
STE STK24 STK24_HUMAN 4U8ZA 1.63 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3FE Type1 24 - 310 0 TPO190 None Serine/threonine-protein kinase 24
TYR SYK KSYK_HUMAN 6ZCSA 1.47 None DFGin‑BLAminus in-in in-none TYR APEdihe_niiai APEdist_aaai QFE Type1 363 - 635 0 None None Tyrosine-protein kinase SYK

Ligand: FE

Total number of chains: 10
Active chains: 6
Total number of genes: 8
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 70.0% 4U8ZA
DFGin ABAminus 1 10.0% 7Q52AAA
DFGin BLBminus 1 10.0% 6T41A
DFGout None 1 10.0% 4EL9A

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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
AGC AKT1 AKT1_HUMAN 3MV5A 2.47 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii XFE Type1 144 - 477 0 TPO308 S473D RAC-alpha serine/threonine-protein kinase Homo sapiens
AGC AKT1 AKT1_HUMAN 3MVHA 2.01 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii WFE Type1 145 - 476 0 TPO308 S473D RAC-alpha serine/threonine-protein kinase Homo sapiens
AGC PRKACA KAPCA_HUMAN 3MVJA 2.49 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii XFE Type1 16 - 351 0 TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
AGC PRKACA KAPCA_HUMAN 3MVJE 2.49 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii XFE Type1 16 - 351 0 TPO198,SEP339 None cAMP-dependent protein kinase catalytic subunit alpha Homo sapiens
CAMK CHEK1 CHK1_HUMAN 5OP5A 1.9 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3FE Type1 4 - 270 0 None N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S Serine/threonine-protein kinase Chk1 Homo sapiens
CMGC CDK8 CDK8_HUMAN 6T41A 2.45 Inactive DFGin‑BLBminus in-in out-out nonTYR APEdihe_aanoi APEdist_nnnn MFE Type1 1 - 359 0 None None Cyclin-dependent kinase 8 Homo sapiens
STE STK24 STK24_HUMAN 4U8ZA 1.63 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 3FE Type1 24 - 310 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TYR SYK KSYK_HUMAN 6ZCSA 1.47 None DFGin‑BLAminus in-in in-none TYR APEdihe_niiai APEdist_aaai QFE Type1 363 - 635 0 None None Tyrosine-protein kinase SYK Homo sapiens
AGC RPS6KA3-1 KS6A3_MOUSE 4EL9A 1.55 Inactive DFGout‑None none-none out-out nonTYR APEdihe_aaiii APEdist_oioo AFE Type1 49 - 346 0 None None Ribosomal protein S6 kinase alpha-3 Mus musculus
OTHER PKNG PKNG_MYCTU 7Q52AAA 2.35 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii FE, 8ZC Allosteric, Type1 87 - 404 0 None None Serine/threonine-protein kinase PknG Mycobacterium tuberculosis

Ligand: FE

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 7Q52AAA
DFGout None 1 50.0% 4EL9A

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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
AGC RPS6KA3-1 KS6A3_MOUSE 4EL9A 1.55 Inactive DFGout‑None none-none out-out nonTYR APEdihe_aaiii APEdist_oioo AFE Type1 49 - 346 0 None None Ribosomal protein S6 kinase alpha-3 Mus musculus
OTHER PKNG PKNG_MYCTU 7Q52AAA 2.35 Inactive DFGin‑ABAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii FE, 8ZC Allosteric, Type1 87 - 404 0 None None Serine/threonine-protein kinase PknG Mycobacterium tuberculosis