Structure of PDB 2gc1 Chain B Binding Site BS01

Receptor Information
>2gc1 Chain B (length=188) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMYKEPFGVKVDFETGIIEGAKKSVRRLSDMEGYFVDERAWKELVEKEDP
VVYEVYAVEQEEKEGDLNFATTVLYPGKVGKEFFFTKGHFHAKLDRAEVY
VALKGKGGMLLQTPEGDAKWISMEPGTVVYVPPYWAHRTVNIGDEPFIFL
AIYPADAGHDYGTIAEKGFSKIVIEENGEVKVVDNPRW
Ligand information
Ligand IDS6P
InChIInChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyGACTWZZMVMUKNG-SLPGGIOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O
FormulaC6 H15 O9 P
NameD-SORBITOL-6-PHOSPHATE;
1-O-PHOSPHONO-D-GLUCITOL;
D-GLUCITOL-6-PHOSPHATE
ChEMBL
DrugBankDB02548
ZINCZINC000002516111
PDB chain2gc1 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gc1 Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y52 T71 T85 G87 H88 E97 Y99 H136 Y160
Binding residue
(residue number reindexed from 1)		Y53 T72 T86 G88 H89 E98 Y100 H137 Y161
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.9: glucose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0005506 iron ion binding
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gc1, PDBe:2gc1, PDBj:2gc1
PDBsum2gc1
PubMed16580686
UniProtP83194|G6PI_PYRFU Glucose-6-phosphate isomerase (Gene Name=pgiA)

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