Structure of PDB 2vgg Chain D Binding Site BS02

Receptor Information
>2vgg Chain D (length=501) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAATFLEHLCLLIDSEPVAARSTSIIATIGPASRSVERLKEMIKAGMNIA
RLNFSHGSHEYHAESIANVREAVESFAGSPLSYRPVAIALDTKGPEIRTG
ILESEVELVKGSQLVTVDPAFRTRGNANTVWVDYPNIVRVVPVGGRIYID
DGLISLVVQKIPELVTQVENGGVLGSRKGVNLPGAQVDLPGLSEQDVRDL
RFGVEHGVDIVFASFVRKASDVAAVRAALGPEGHGIKIISKIENHEGVKR
FDEILEVSDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNLAGKPVVCATQ
MLESMITKPRPTRAETSDVANAVLDGADCIMLSGETAKGNFPVEAVKMQH
AIAREAEAAVYHRQLFEELRRAAPLSRDPTEVTAIGAVEAAFKCCAAAII
VLTTTGHSAQLLSRYRPRAAVIAVTRSAQAARQVHLCRGVFPLLYREPPE
AIWADDVDRRVQFGIESGKLRGFLRVGDLVIVVTGWRPGSGYTNIMRVLS
I
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain2vgg Chain D Residue 581 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vgg Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
Resolution2.74 Å
Binding residue
(original residue number in PDB)		K313 E315 A336 G338 D339 T371
Binding residue
(residue number reindexed from 1)		K241 E243 A264 G266 D267 T299
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R116 R163 K313 T371
Catalytic site (residue number reindexed from 1) R51 R98 K241 T299
Enzyme Commision number 2.7.1.40: pyruvate kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic 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
GO:0048029 monosaccharide binding
Biological Process
GO:0001666 response to hypoxia
GO:0006096 glycolytic process
GO:0007584 response to nutrient
GO:0009749 response to glucose
GO:0010038 response to metal ion
GO:0016310 phosphorylation
GO:0032869 cellular response to insulin stimulus
GO:0033198 response to ATP
GO:0042866 pyruvate biosynthetic process
GO:0051591 response to cAMP
GO:0071872 cellular response to epinephrine stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vgg, PDBe:2vgg, PDBj:2vgg
PDBsum2vgg
PubMed11960989
UniProtP30613|KPYR_HUMAN Pyruvate kinase PKLR (Gene Name=PKLR)

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