Structure of PDB 4an2 Chain A

Receptor sequence
>4an2A (length=282) Species: 9606 (Homo sapiens) [Search protein sequence]
MALGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAI
RNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKK
AGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLC
DFGVSGQLIDEMANEFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMA
VGRYPRPPMAIFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAER
ADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL
3D structure
PDB4an2 Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
ChainA
Resolution2.5 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 T169
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 EUI A N78 K97 V127 I141 D190 D208 F209 V211 S212 L215 G225 N21 K40 V70 I84 D133 D151 F152 V154 S155 L158 G168 PDBbind-CN: -logKd/Ki=9.05,IC50=0.9nM
BindingDB: IC50=4.2nM
BS02 ACP A L74 G75 G77 N78 V82 A95 M146 S150 Q153 K192 S194 N195 L197 D208 L17 G18 G20 N21 V25 A38 M89 S93 Q96 K135 S137 N138 L140 D151
BS03 MG A N195 D208 N138 D151
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:4an2, PDBe:4an2, PDBj:4an2
PDBsum4an2
PubMed24900486
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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