Structure of PDB 1hdi Chain A Binding Site BS01

Receptor Information
>1hdi Chain A (length=413) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKLTLDKLNVKGKRVVMRVDFNVPMAAAQITNNARIKAAVPSIKFCLDDG
AKSVVLMSHLGRPDGSPMPDKYSLQPVAAELKSALGKAVLFLKDCVGPAV
EKACADPAAGSVILLENLRFHVEEEGKGKDASGNKAAGEPAKIKAFRASL
SALGDVYVNDAFGTAHRAHSSMVGVNLPKKAGAFLMKKELNYFAAAAESP
ERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIG
TSLFDEAGKKIVKNLMSKAAANGVKITLPVDFVTADKFDEQAKIGQATVA
SGIPAGWMGLDCGPKSSAKYSEAVARAKQIVWNGPVGVFEWEAFAQGTKA
LMDEVVKATSRGCITIIGGGDTATCCAKWNTEDNVSHVSTGGGASLELLE
GKVLPGVDALSNV
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1hdi Chain A Residue 417 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hdi A 1.8 A resolution structure of pig muscle 3-phosphoglycerate kinase with bound MgADP and 3-phosphoglycerate in open conformation: new insight into the role of the nucleotide in domain closure.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A214 G237 G238 L313 G340 V341 E343 D374
Binding residue
(residue number reindexed from 1)		A211 G234 G235 L310 G337 V338 E340 D371
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R38 K215 G373 G396
Catalytic site (residue number reindexed from 1) R35 K212 G370 G393
Enzyme Commision number 2.7.2.3: phosphoglycerate kinase.
Gene Ontology
Molecular Function
GO:0004618 phosphoglycerate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0043531 ADP binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hdi, PDBe:1hdi, PDBj:1hdi
PDBsum1hdi
PubMed11178909
UniProtQ7SIB7|PGK1_PIG Phosphoglycerate kinase 1 (Gene Name=PGK1)

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