Structure of PDB 4umr Chain A

Receptor sequence
>4umrA (length=313) Species: 9606 (Homo sapiens) [Search protein sequence]
ELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTLGSDLPRIK
TEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLS
EEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCG
SLAYAAPELIQGKSYLGSEADVWSMGILLYVLMCGFLPFDDDTAAALVAK
IMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYP
VEWQSKNPFIHLDDDCVTELSVHHRNNRQTMEDLISLWQYDHLTATYLLL
LAKKARGKPVRLR
3D structure
PDB4umr Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
ChainA
Resolution3.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D132 K134 E136 N137 D150 S171
Catalytic site (residue number reindexed from 1) D127 K129 E131 N132 D145 S151
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
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 QBB A I17 V25 L27 A38 Y88 C89 P90 L139 I12 V20 L22 A33 Y83 C84 P85 L134 PDBbind-CN: -logKd/Ki=3.80,IC50=160uM
BindingDB: IC50=160000nM
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
View graph for
Biological Process
External links
PDB RCSB:4umr, PDBe:4umr, PDBj:4umr
PDBsum4umr
PubMed25589925
UniProtQ14680|MELK_HUMAN Maternal embryonic leucine zipper kinase (Gene Name=MELK)

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