Structure of PDB 1aqf Chain E Binding Site BS01

Receptor Information
>1aqf Chain E (length=426) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLK
EMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVAL
DTKGPEPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVR
KILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEK
VFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDG
ADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARSSSHS
TDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTR
NHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKK
GDVVIVLTGWRPGSGFTNTMRVVPVP
Ligand information
Ligand IDPEQ
InChIInChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
InChIKeyCSZRNWHGZPKNKY-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@H](O[P](O)(O)=O)C(O)=O
CACTVS 3.341C[CH](O[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(OP(=O)(O)O)C
OpenEye OEToolkits 1.5.0CC(C(=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)OP(=O)(O)O
FormulaC3 H7 O6 P
NameL-PHOSPHOLACTATE
ChEMBLCHEMBL1235229
DrugBank
ZINCZINC000006486927
PDB chain1aqf Chain E Residue 532 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1aqf Ligand-induced domain movement in pyruvate kinase: structure of the enzyme from rabbit muscle with Mg2+, K+, and L-phospholactate at 2.7 A resolution.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R72 K269 A292 D295 T327
Binding residue
(residue number reindexed from 1)		R61 K165 A188 D191 T223
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R72 K269 T327
Catalytic site (residue number reindexed from 1) R61 K165 T223
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
2.7.11.1: non-specific serine/threonine protein kinase.
2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003729 mRNA binding
GO:0003824 catalytic activity
GO:0004713 protein tyrosine kinase activity
GO:0004743 pyruvate kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0030955 potassium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
GO:0006417 regulation of translation
GO:0016310 phosphorylation
GO:0032869 cellular response to insulin stimulus
GO:1903672 positive regulation of sprouting angiogenesis
GO:2000767 positive regulation of cytoplasmic translation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005791 rough endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1aqf, PDBe:1aqf, PDBj:1aqf
PDBsum1aqf
PubMed9308890
UniProtP11974|KPYM_RABIT Pyruvate kinase PKM (Gene Name=PKM)

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