Structure of PDB 4rqv Chain A

Receptor sequence
>4rqvA (length=289) Species: 9606 (Homo sapiens) [Search protein sequence]
PPQPRKKRPEDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIK
ENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKY
IRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQ
ITDFGTAKVLSPESKQARANSFVGTAQYVSPELLTEKSACKSSDLWALGC
IIYQLVAGLPPFRAGNEGLIFAKIIKLEYDFPEKFFPKARDLVEKLLVLD
ATKRLGCEEMEGYGPLKAHPFFESVTWENLHQQTPPKLT
3D structure
PDB4rqv A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
ChainA
Resolution1.502 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D205 K207 E209 N210 D223 T245
Catalytic site (residue number reindexed from 1) D135 K137 E139 N140 D153 T175
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 ATP A G89 G91 S92 S94 V96 A109 S160 A162 E166 L212 G19 G21 S22 S24 V26 A39 S90 A92 E96 L142
BS02 R2S A K115 I118 I119 V124 T128 R131 T148 L155 F157 K45 I48 I49 V54 T58 R61 T78 L85 F87 PDBbind-CN: -logKd/Ki=5.05,Kd=9uM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine 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:4rqv, PDBe:4rqv, PDBj:4rqv
PDBsum4rqv
PubMed25518860
UniProtO15530|PDPK1_HUMAN 3-phosphoinositide-dependent protein kinase 1 (Gene Name=PDPK1)

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