Ligand: 32

Total number of chains: 8
Active chains: 0
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 5 62.5% 4RZVB
DFGin BLBminus 1 12.5% 2BTSA
DFGin BLBplus 1 12.5% 3W32A
DFGin None 1 12.5% 3PTGA
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CMGC CDK2 CDK2_HUMAN 2BTSA 1.99 Inactive DFGin‑BLBminus out-out none-out nonTYR APEdihe_aaiii APEdist_nnno U32 Type1 1 - 298 0 None None Cyclin-dependent kinase 2
CMGC MAPK10 MK10_HUMAN 3PTGA 2.43 Inactive DFGin‑None in-in none-out nonTYR APEdihe_aaooi APEdist_nnno 932 Type1 46 - 401 0 None None Mitogen-activated protein kinase 10
TKL BRAF BRAF_HUMAN 4RZVA 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_nioo 032 Type1.5_Back 449 - 721 0 None R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 4RZVB 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_iioo 032 Type1.5_Back 449 - 722 0 None R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 3OG7A 2.45 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 032 Type1.5_Back 449 - 720 0 None K522A,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf
TKL MAP3K20 M3K20_HUMAN 5HESB 2.14 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaoii APEdist_nnno 032 Type1 7 - 298 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 5HESA 2.14 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaooi APEdist_nnno 032 Type1.5_Back 6 - 299 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20
TYR EGFR EGFR_HUMAN 3W32A 1.8 Inactive DFGin‑BLBplus out-out out-in TYR APEdihe_iiiai APEdist_aaai W32 Type1.5_Back 701 - 1017 0 None None Epidermal growth factor receptor

Ligand: 32

Total number of chains: 9
Active chains: 1
Total number of genes: 6
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 5 55.6% 4RZVB
DFGin BLAminus 1 11.1% 2OXDA
DFGin BLBminus 1 11.1% 2BTSA
DFGin BLBplus 1 11.1% 3W32A
DFGin None 1 11.1% 3PTGA
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC CDK2 CDK2_HUMAN 2BTSA 1.99 Inactive DFGin‑BLBminus out-out none-out nonTYR APEdihe_aaiii APEdist_nnno U32 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
CMGC MAPK10 MK10_HUMAN 3PTGA 2.43 Inactive DFGin‑None in-in none-out nonTYR APEdihe_aaooi APEdist_nnno 932 Type1 46 - 401 0 None None Mitogen-activated protein kinase 10 Homo sapiens
TKL BRAF BRAF_HUMAN 4RZVA 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_nioo 032 Type1.5_Back 449 - 721 0 None R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 4RZVB 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_iioo 032 Type1.5_Back 449 - 722 0 None R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 3OG7A 2.45 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 032 Type1.5_Back 449 - 720 0 None K522A,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf Homo sapiens
TKL MAP3K20 M3K20_HUMAN 5HESB 2.14 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaoii APEdist_nnno 032 Type1 7 - 298 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20 Homo sapiens
TKL MAP3K20 M3K20_HUMAN 5HESA 2.14 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaooi APEdist_nnno 032 Type1.5_Back 6 - 299 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20 Homo sapiens
TYR EGFR EGFR_HUMAN 3W32A 1.8 Inactive DFGin‑BLBplus out-out out-in TYR APEdihe_iiiai APEdist_aaai W32 Type1.5_Back 701 - 1017 0 None None Epidermal growth factor receptor Homo sapiens
CMGC ACK2 CSK2A_MAIZE 2OXDA 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii K32 Type1 2 - 326 0 None None Casein kinase II subunit alpha Zea mays

Ligand: 32

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 2OXDA
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC ACK2 CSK2A_MAIZE 2OXDA 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii K32 Type1 2 - 326 0 None None Casein kinase II subunit alpha Zea mays