Structure of PDB 4u44 Chain A

Receptor sequence
>4u44A (length=286) Species: 9606 (Homo sapiens) [Search protein sequence]
DIDLSSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTED
EEEEIKLEINMLKKYSHHRNIATYYGAFIKKSHDDQLWLVMEFCGAGSIT
DLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTEN
AEVKLVDFGVSATFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAI
EMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNY
MQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTR
3D structure
PDB4u44 Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
ChainA
Resolution2.43 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) D139 K141 Q143 N144 D157 T167
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 3D9 A V31 V39 A52 K54 M105 C108 G111 L160 D171 V20 V28 A41 K43 M91 C94 G97 L146 D157 MOAD: ic50=0.008uM
PDBbind-CN: -logKd/Ki=8.10,IC50=8nM
BindingDB: IC50=8.0nM
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:4u44, PDBe:4u44, PDBj:4u44
PDBsum4u44
PubMed25139565
UniProtO95819|M4K4_HUMAN Mitogen-activated protein kinase kinase kinase kinase 4 (Gene Name=MAP4K4)

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