Ligand: CHU (Avutometinib)

Total number of chains: 12
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 12 100.0% 3WIGA

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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
STE MAP2K1 MP2K1_HUMAN 3WIGA 2.7 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo ANP, CHU ATPlike, Type3 62 - 380 0 None None Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 7M0ZB 3.12 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo ANP, CHU ATPlike, Type3 42 - 383 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UB 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU Type1 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UH 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU, ANP Type1, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VB 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU, ANP Type1, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VH 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU, ANP Type1, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 7MFDB 3.66 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU Type3 52 - 383 0 None None Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O2ZB 3.83 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU Type3 52 - 383 0 None None Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UD 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU Type3 31 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0UF 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU Type3 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VD 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU, ANP Type3, ATPlike 31 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1
STE MAP2K1 MP2K1_HUMAN 9O0VF 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU, ANP Type3, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1

Ligand: CHU (Avutometinib)

Total number of chains: 12
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 12 100.0% 3WIGA

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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
STE MAP2K1 MP2K1_HUMAN 3WIGA 2.7 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo ANP, CHU ATPlike, Type3 62 - 380 0 None None Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 7M0ZB 3.12 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo ANP, CHU ATPlike, Type3 42 - 383 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0UB 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU Type1 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0UH 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU, ANP Type1, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0VB 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU, ANP Type1, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0VH 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU, ANP Type1, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 7MFDB 3.66 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU Type3 52 - 383 0 None None Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O2ZB 3.83 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaooo APEdist_oooo CHU Type3 52 - 383 0 None None Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0UD 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU Type3 31 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0UF 2.91 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU Type3 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0VD 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU, ANP Type3, ATPlike 31 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens
STE MAP2K1 MP2K1_HUMAN 9O0VF 3.5 Inactive DFGin‑BLBplus out-out out-out nonTYR APEdihe_aaoio APEdist_oooo CHU, ANP Type3, ATPlike 30 - 380 0 None S218A,S222A Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens

Ligand: CHU (Avutometinib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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