Structure of PDB 2h4z Chain A Binding Site BS01

Receptor Information
>2h4z Chain A (length=255) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKYKLIMLRHGEGAWNKENRFCSWVDQKLNSEGMEEARNCGKQLKALNFE
FDLVFTSVLNRSIHTAWLILEELGQEWVPVESSWRLNERHYGALIGLNRE
QMALNHGEEQVRLWRRSYNVTPPPIEESHPYYQEIYNDRRYKVCDVPLDQ
LPRSESLKDVLERLLPYWNERIAPEVLRGKTILISAHGNSSRALLKHLEG
ISDEDIINITLPTGVPILLELDENLRAVGPHQFLGDQEAIQAAIKKVEDQ
GKVKQ
Ligand information
Ligand IDDG2
InChIInChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKeyXOHUEYCVLUUEJJ-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)[C@@H](CO[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.5C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385OC(=O)[CH](CO[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.5C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O
FormulaC3 H8 O10 P2
Name(2R)-2,3-diphosphoglyceric acid;
2,3-Bisphosphoglyceric acid;
2,3-bisphosphoglycerate;
2,3-BPG;
2,3-diphosphoglyceric acid;
2,3-diphosphoglycerate;
2,3-DPG;
(2~{R})-2,3-diphosphonooxypropanoic acid
ChEMBL
DrugBank
ZINCZINC000003869234
PDB chain2h4z Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h4z Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)
R10 H11 C23 S24 R62 E89 Y92 R100 R116 R117 H188 N190
Binding residue
(residue number reindexed from 1)
R9 H10 C22 S23 R61 E88 Y91 R99 R115 R116 H187 N189
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H11 R62 E89 H188
Catalytic site (residue number reindexed from 1) H10 R61 E88 H187
Enzyme Commision number 5.4.2.11: phosphoglycerate mutase (2,3-diphosphoglycerate-dependent).
5.4.2.4: bisphosphoglycerate mutase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004082 bisphosphoglycerate mutase activity
GO:0004619 phosphoglycerate mutase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046538 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006096 glycolytic process
GO:0006753 nucleoside phosphate metabolic process
GO:0007585 respiratory gaseous exchange by respiratory system
GO:0015671 oxygen transport
GO:0033554 cellular response to stress
GO:0042832 defense response to protozoan
GO:0048821 erythrocyte development
GO:0060856 establishment of blood-brain barrier
GO:0150076 neuroinflammatory response
GO:1901136 carbohydrate derivative catabolic process
Cellular Component
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:2h4z, PDBe:2h4z, PDBj:2h4z
PDBsum2h4z
PubMed17052986
UniProtP07738|PMGE_HUMAN Bisphosphoglycerate mutase (Gene Name=BPGM)

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