Structure of PDB 4obq Chain A

Receptor sequence
>4obqA (length=275) Species: 9606 (Homo sapiens) [Search protein sequence]
SSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVEINMLKK
YSHHRNIATYYGAFIKKSPPGHDDQLWLVMEFCGAGSITDLVKNTKGNTL
KEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVN
TFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDM
HPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKH
PFIRDQPNERQVRIQLKDHIDRTRK
3D structure
PDB4obq Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
ChainA
Resolution2.19 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) D128 K130 Q132 N133 D146 T155
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 S52 H54 I57 T59
BS02 2QT A Y36 V39 A52 K54 M105 F107 C108 L160 V170 D171 Y21 V24 A37 K39 M80 F82 C83 L135 V145 D146 MOAD: ic50=0.065uM
PDBbind-CN: -logKd/Ki=7.19,IC50=65nM
BindingDB: IC50=58.6nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4obq, PDBe:4obq, PDBj:4obq
PDBsum4obq
PubMed24673130
UniProtO95819|M4K4_HUMAN Mitogen-activated protein kinase kinase kinase kinase 4 (Gene Name=MAP4K4)

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