Structure of PDB 1qhf Chain B Binding Site BS01

Receptor Information
>1qhf Chain B (length=240) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKLVLVRHGQSEWNEKNLFTGWVDVKLSAKGQQEAARAGELLKEKKVYPD
VLYTSKLSRAIQTANIALEKADRLWIPVNRSWRLNERHYGDLQGKDKAET
LKKFGEEKFNTYRRSFDVPPPPIDASSPFSQKGDERYKYVDPNVLPETES
LALVIDRLLPYWQDVIAKDLLSGKTVMIAAHGNSLRGLVKHLEGISDADI
AKLNIPTGIPLVFELDENLKPSKPSYYLDPEAAAAGAAAV
Ligand information
Ligand ID3PG
InChIInChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyOSJPPGNTCRNQQC-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(=O)O
FormulaC3 H7 O7 P
Name3-PHOSPHOGLYCERIC ACID
ChEMBLCHEMBL1160563
DrugBankDB04510
ZINCZINC000003869934
PDB chain1qhf Chain B Residue 253 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qhf Structure of a phosphoglycerate mutase:3-phosphoglyceric acid complex at 1.7 A.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H8 Q10 S11 N14 T20
Binding residue
(residue number reindexed from 1)		H8 Q10 S11 N14 T20
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H8 R59 E86 H181
Catalytic site (residue number reindexed from 1) H8 R59 E86 H181
Enzyme Commision number 5.4.2.11: phosphoglycerate mutase (2,3-diphosphoglycerate-dependent).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004619 phosphoglycerate mutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046538 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005758 mitochondrial intermembrane space
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:1qhf, PDBe:1qhf, PDBj:1qhf
PDBsum1qhf
PubMed10531478
UniProtP00950|PMG1_YEAST Phosphoglycerate mutase 1 (Gene Name=GPM1)

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