Ligand: B96 (Doramapimod)

Total number of chains: 13
Active chains: 0
Total number of genes: 7
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 7 53.8% 9CJ4A
DFGout None 6 46.2% 3NPCA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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
CMGC MAPK11 MK11_HUMAN 8YGWA 3.301 Inactive DFGout‑None in-out none-out nonTYR APEdihe_aaoii APEdist_nnno B96 Type2 5 - 348 0 None None Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 9CJ4A 1.8 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_oooo B96 Type2 5 - 352 0 TPO180,PTR182 None Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 5N66A 2.4 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaoii APEdist_nnno BW1, B96 Allosteric, Type2 6 - 353 0 None None Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 1KV2A 2.8 Inactive DFGout‑None in-in none-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 5 - 352 0 None None Mitogen-activated protein kinase 14
CMGC MAPK9 MK09_HUMAN 3NPCA 2.35 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaoii APEdist_oioo B96 Type2 7 - 363 0 None D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A Mitogen-activated protein kinase 9
CMGC MAPK9 MK09_HUMAN 3NPCB 2.35 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaoii APEdist_oioo B96 Type2 8 - 363 0 None D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A Mitogen-activated protein kinase 9
STE STK10 STK10_HUMAN 6GTTA 2.25 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aanio APEdist_nnnn B96 Type2 18 - 316 0 None None Serine/threonine-protein kinase 10
TKL BRAF BRAF_HUMAN 4JVGA 3.09 Inactive DFGout‑BBAminus in-in out-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 448 - 722 0 None 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 4JVGB 3.09 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aanoi APEdist_nnnn B96 Type2 448 - 722 0 None 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 4JVGC 3.09 Inactive DFGout‑BBAminus in-in none-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 448 - 722 0 None 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 4JVGD 3.09 Inactive DFGout‑BBAminus in-in out-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 448 - 722 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TYR EPHA3 EPHA3_HUMAN 4TWNA 1.706 Inactive DFGout‑None in-in out-none TYR APEdihe_niiai APEdist_aaai B96 Type2 609 - 904 0 None None Ephrin type-A receptor 3
TYR PTK2B FAK2_HUMAN 3FZSA 1.75 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nniai APEdist_aaai B96 Type2 420 - 690 0 None None Protein-tyrosine kinase 2-beta

Ligand: B96 (Doramapimod)

Total number of chains: 13
Active chains: 0
Total number of genes: 7
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 7 53.8% 9CJ4A
DFGout None 6 46.2% 3NPCA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 MAPK11 MK11_HUMAN 8YGWA 3.301 Inactive DFGout‑None in-out none-out nonTYR APEdihe_aaoii APEdist_nnno B96 Type2 5 - 348 0 None None Mitogen-activated protein kinase 11 Homo sapiens
CMGC MAPK14 MK14_HUMAN 9CJ4A 1.8 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_oooo B96 Type2 5 - 352 0 TPO180,PTR182 None Mitogen-activated protein kinase 14 Homo sapiens
CMGC MAPK14 MK14_HUMAN 5N66A 2.4 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaoii APEdist_nnno BW1, B96 Allosteric, Type2 6 - 353 0 None None Mitogen-activated protein kinase 14 Homo sapiens
CMGC MAPK14 MK14_HUMAN 1KV2A 2.8 Inactive DFGout‑None in-in none-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 5 - 352 0 None None Mitogen-activated protein kinase 14 Homo sapiens
CMGC MAPK9 MK09_HUMAN 3NPCA 2.35 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaoii APEdist_oioo B96 Type2 7 - 363 0 None D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A Mitogen-activated protein kinase 9 Homo sapiens
CMGC MAPK9 MK09_HUMAN 3NPCB 2.35 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaoii APEdist_oioo B96 Type2 8 - 363 0 None D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A Mitogen-activated protein kinase 9 Homo sapiens
STE STK10 STK10_HUMAN 6GTTA 2.25 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aanio APEdist_nnnn B96 Type2 18 - 316 0 None None Serine/threonine-protein kinase 10 Homo sapiens
TKL BRAF BRAF_HUMAN 4JVGA 3.09 Inactive DFGout‑BBAminus in-in out-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 448 - 722 0 None 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 4JVGB 3.09 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aanoi APEdist_nnnn B96 Type2 448 - 722 0 None 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 4JVGC 3.09 Inactive DFGout‑BBAminus in-in none-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 448 - 722 0 None 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 4JVGD 3.09 Inactive DFGout‑BBAminus in-in out-none nonTYR APEdihe_aanii APEdist_nnnn B96 Type2 448 - 722 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TYR EPHA3 EPHA3_HUMAN 4TWNA 1.706 Inactive DFGout‑None in-in out-none TYR APEdihe_niiai APEdist_aaai B96 Type2 609 - 904 0 None None Ephrin type-A receptor 3 Homo sapiens
TYR PTK2B FAK2_HUMAN 3FZSA 1.75 Inactive DFGout‑BBAminus in-in none-none TYR APEdihe_nniai APEdist_aaai B96 Type2 420 - 690 0 None None Protein-tyrosine kinase 2-beta Homo sapiens

Ligand: B96 (Doramapimod)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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