Structure of PDB 1gzv Chain A Binding Site BS01

Receptor Information
>1gzv Chain A (length=554) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALTQNPQFKKLQTWYHEHRSDLNLRRLFEGDKDRFNHFSLNLNTNHGRI
LLDYSKNLVTEAVMQMLVDLAKSRGVEAARERMFNGEKINFTEDRAVLHV
ALRNRSNTPILVDGKDVMPEVNRVLEKMKSFCKRVRSGEWKGYSGKSITD
VINIGIGGSDLGPLMVTEALKPYSAEGPRVWFVSNIDGTHIAKTLATLNP
ESSLFIIASKTFTTQETITNAETAKEWFLQSAKDPSAVAKHFVALSTNTT
KVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDNFEQLLSGAH
WMDQHFRTTPLEKNAPVLLALLGIWYINFFGCETHAMLPYDQYLHRFAAY
FQQGDMESNGKYITKSGTRVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKM
IPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMKGKSTEEARKELQA
AGKSPEDFEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQ
GVIWDINSFDQWGVELGKQLAKKIEPELDGSSPVTSHDSSTNGLINFIKQ
EREA
Ligand information
Ligand IDPA5
InChIInChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1
InChIKeyHNECGPFIYSOYHF-JJYYJPOSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O
FormulaC5 H11 O9 P
Name5-PHOSPHOARABINONIC ACID
ChEMBL
DrugBankDB03042
ZINC
PDB chain1gzv Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1gzv Crystal Structure of Phosphoglucose Isomerase from Pig Muscle and its Complex with 5-Phosphoarabinonate
Resolution3.51 Å
Binding residue
(original residue number in PDB)		I156 G157 G158 S209 K210 T211 T214 Q353 E357 K518
Binding residue
(residue number reindexed from 1)		I156 G157 G158 S209 K210 T211 T214 Q353 E357 K518
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.57,Ki=0.27uM
Enzymatic activity
Catalytic site (original residue number in PDB) K210 E216 G271 R272 E357 H388 K518
Catalytic site (residue number reindexed from 1) K210 E216 G271 R272 E357 H388 K518
Enzyme Commision number 5.3.1.9: glucose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0005125 cytokine activity
GO:0016853 isomerase activity
GO:0048029 monosaccharide binding
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0007165 signal transduction
GO:0051156 glucose 6-phosphate metabolic process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
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:1gzv, PDBe:1gzv, PDBj:1gzv
PDBsum1gzv
PubMed12402366
UniProtP08059|G6PI_PIG Glucose-6-phosphate isomerase (Gene Name=GPI)

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