Ligand: 3C8

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 4U42A
None None 1 33.3% 4U42B

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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 MAP4K4 M4K4_HUMAN 4U42A 2.504 Inactive DFGin‑BLBplus in-in none-out nonTYR APEdihe_aaioi APEdist_nnno 3C8 Type1 16 - 310 0 None T181E Mitogen-activated protein kinase kinase kinase kinase 4
STE MAP4K4 M4K4_HUMAN 4U41A 2.2 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 3C8 Type1 16 - 310 0 None None Mitogen-activated protein kinase kinase kinase kinase 4
STE MAP4K4 M4K4_HUMAN 4U42B 2.504 Inactive None‑None none-none none-out nonTYR APEdihe_aaioi APEdist_oooo 3C8 Type1 17 - 310 0 None T181E Mitogen-activated protein kinase kinase kinase kinase 4

Ligand: 3C8

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 66.7% 4U42A
None None 1 33.3% 4U42B

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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 MAP4K4 M4K4_HUMAN 4U42A 2.504 Inactive DFGin‑BLBplus in-in none-out nonTYR APEdihe_aaioi APEdist_nnno 3C8 Type1 16 - 310 0 None T181E Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens
STE MAP4K4 M4K4_HUMAN 4U41A 2.2 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 3C8 Type1 16 - 310 0 None None Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens
STE MAP4K4 M4K4_HUMAN 4U42B 2.504 Inactive None‑None none-none none-out nonTYR APEdihe_aaioi APEdist_oooo 3C8 Type1 17 - 310 0 None T181E Mitogen-activated protein kinase kinase kinase kinase 4 Homo sapiens

Ligand: 3C8

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