Structure of PDB 4u45 Chain A

Receptor sequence
>4u45A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence]
DIDLSSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTED
EEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPPDDQLWLVMEFCGAGSI
TDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTE
NAEVKLVDFGVSANTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGIT
AIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVK
NYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTRK
3D structure
PDB4u45 Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
ChainA
Resolution2.58 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D153 K155 Q157 N158 D171 T191
Catalytic site (residue number reindexed from 1) D140 K142 Q144 N145 D158 T169
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein 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 MG A S77 H79 I82 T84 S66 H68 I71 T73
BS02 MG A H78 H143 H147 H67 H130 H134
BS03 3DC A V31 V39 A52 M105 C108 G111 L160 V170 D171 V20 V28 A41 M92 C95 G98 L147 V157 D158 PDBbind-CN: -logKd/Ki=8.00,IC50=0.01uM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4u45, PDBe:4u45, PDBj:4u45
PDBsum4u45
PubMed25139565
UniProtO95819|M4K4_HUMAN Mitogen-activated protein kinase kinase kinase kinase 4 (Gene Name=MAP4K4)

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