Structure of PDB 6vre Chain B

Receptor sequence
>6vreB (length=260) Species: 9606 (Homo sapiens) [Search protein sequence]
DLLEYDYEYDENGDRVVLGKGTYGIVYAGRDLSNQVRIAIKEIPERSQPL
HEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGP
LKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISD
FGTSKRLAGTGTLQYMAPEIIDKGPRGYGKAADIWSLGCTIIEMATGKPP
FYELGEPQAAMFKVGMFKVHPEIPESMSAEAKAFILKCFEPDPDKRACAN
DLLVDEFLKV
3D structure
PDB6vre Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.
ChainB
Resolution2.29 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D803 K805 D807 N808 D822 T842
Catalytic site (residue number reindexed from 1) D131 K133 D135 N136 D150 T162
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 RFG B A707 K709 M754 E755 Q756 V757 G759 G760 L810 D822 A39 K41 M82 E83 Q84 V85 G87 G88 L138 D150 MOAD: ic50=21nM
BindingDB: IC50=21nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:6vre, PDBe:6vre, PDBj:6vre
PDBsum6vre
PubMed32292554
UniProtQ99683|M3K5_HUMAN Mitogen-activated protein kinase kinase kinase 5 (Gene Name=MAP3K5)

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