Structure of PDB 5j8i Chain A

Receptor sequence
>5j8iA (length=288) Species: 9606 (Homo sapiens) [Search protein sequence]
SLHMIDYKEIEVEEVVGRFGVVCKAKWRAKDVAIKQIESESERKAFIVEL
RQLSRVNHPNIVKLYGCLNPVCLVMEYAEGGSLYNVLHGAEPLPYYTAAH
AMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDGSAA
WMAPEVFEGSNYSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIMWAVH
NGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGA
DEPLQYPCQHSLPPGEDGRVEPYVDFAEFYRLWSVDHG
3D structure
PDB5j8i Structure-guided development of covalent TAK1 inhibitors.
ChainA
Resolution2.404 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D156 K158 P160 N161 I173 D175
Catalytic site (residue number reindexed from 1) D127 K129 P131 N132 I144 D146
Enzyme Commision number 2.7.11.25: mitogen-activated protein kinase kinase kinase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 6H4 A V42 V50 A61 M104 Y106 A107 L163 C174 D175 V16 V22 A33 M75 Y77 A78 L134 C145 D146 PDBbind-CN: -logKd/Ki=8.29,IC50=5.1nM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004672 protein kinase activity
GO:0004709 MAP kinase kinase kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007165 signal transduction

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Molecular Function

View graph for
Biological Process
External links
PDB RCSB:5j8i, PDBe:5j8i, PDBj:5j8i
PDBsum5j8i
PubMed28011204
UniProtO43318|M3K7_HUMAN Mitogen-activated protein kinase kinase kinase 7 (Gene Name=MAP3K7);
Q15750|TAB1_HUMAN TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Gene Name=TAB1)

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