Structure of PDB 4an9 Chain A

Receptor sequence
>4an9A (length=281) Species: 9606 (Homo sapiens) [Search protein sequence]
MALGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAI
RNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKK
AGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLC
DFGVSGQLIDEMANEVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAV
GRYPRPPMAIFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERA
DLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL
3D structure
PDB4an9 Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
ChainA
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D190 K192 S194 N195 D208 D217 T226
Catalytic site (residue number reindexed from 1) D133 K135 S137 N138 D151 D160 T168
Enzyme Commision number 2.7.12.2: mitogen-activated protein kinase 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 ACP A L74 G75 A76 G77 N78 A95 M143 M146 Q153 K192 S194 L197 L17 G18 A19 G20 N21 A38 M86 M89 Q96 K135 S137 L140
BS02 MG A N195 D208 N138 D151
BS03 2P7 A K97 L118 V127 I141 M143 D190 D208 F209 G210 V211 L215 K40 L61 V70 I84 M86 D133 D151 F152 G153 V154 L158 PDBbind-CN: -logKd/Ki=7.36,IC50=44nM
BindingDB: IC50=44nM
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:4an9, PDBe:4an9, PDBj:4an9
PDBsum4an9
PubMed24900486
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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