Structure of PDB 7thi Chain B Binding Site BS01

Receptor Information
>7thi Chain B (length=254) 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
GKVK
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 chain7thi Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7thi Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
Resolution1.33 Å
Binding residue
(original residue number in PDB)		F22 C23 S24 E89 Y92 R100 R116 R117
Binding residue
(residue number reindexed from 1)		F21 C22 S23 E88 Y91 R99 R115 R116
Annotation score2
Enzymatic activity
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:7thi, PDBe:7thi, PDBj:7thi
PDBsum7thi
PubMed
UniProtP07738|PMGE_HUMAN Bisphosphoglycerate mutase (Gene Name=BPGM)

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