Structure of PDB 4ual Chain A

Receptor sequence
>4ualA (length=403) Species: 9606 (Homo sapiens) [Search protein sequence]
GGSSAKVRLKKLEQLLLDGPWRNESALSVETLLDVLVCLYTECSHSALRR
DKYVAEFLEWAKPFTQLVKEMQLHREDFEIIKVIGRGAFGEVAVVKMKNT
ERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENH
LYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVH
RDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVVAVGTPDYISPEILQAM
EDGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFP
SHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFKKHAFFEGLNWENIRNL
EAPYIPDVSSPSDTSNFDVILPPHTGFSGLHLPFIGFTFTTESCFSDRGS
LKS
3D structure
PDB4ual A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
ChainA
Resolution1.71 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D200 K202 N205 D218 T239
Catalytic site (residue number reindexed from 1) D202 K204 N207 D220 T238
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 3FV A R84 A103 K105 M153 D154 Y155 Y156 D204 L207 D218 R86 A105 K107 M155 D156 Y157 Y158 D206 L209 D220 MOAD: Ki=4nM
PDBbind-CN: -logKd/Ki=8.40,Ki=4nM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4ual, PDBe:4ual, PDBj:4ual
PDBsum4ual
PubMed25288205
UniProtQ9Y5S2|MRCKB_HUMAN Serine/threonine-protein kinase MRCK beta (Gene Name=CDC42BPB)

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