Structure of PDB 1koj Chain A Binding Site BS01

Receptor Information
>1koj Chain A (length=556) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALTRNPQFQKLQQWHREHGSELNLRHLFDTDKERFNHFSLTLNTNHGHI
LLDYSKNLVTEEVMHMLLDLAKSRGVEAARESMFNGEKINSTEDRAVLHV
ALRNRSNTPIVVDGKDVMPEVNKVLDKMKAFCQRVRSGDWKGYTGKTITD
VINIGIGGSDLGPLMVTEALKPYSSGGPRVWFVSNIDGTHIAKTLACLNP
ESSLFIIASKTFTTQETITNAKTAKDWFLLSAKDPSTVAKHFVALSTNTA
KVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDNFEQLLSGAH
WMDQHFRTTPLEKNAPVLLAMLGIWYINCFGCETQAVLPYDQYLHRFAAY
FQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKM
IPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMKGKSTEEARKELQA
AGKSPEDLMKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQ
GVVWDINSFDQWGVELGKQLAKKIEPELDGSSPVTSHDSSTNGLINFIKQ
QREAKI
Ligand information
Ligand IDPAN
InChIInChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1
InChIKeyOHQFMJPEBPCIEQ-JJYYJPOSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341ONC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O
FormulaC5 H12 N O9 P
Name5-PHOSPHO-D-ARABINOHYDROXAMIC ACID
ChEMBLCHEMBL1235136
DrugBankDB02093
ZINCZINC000005830355
PDB chain1koj Chain A Residue 902 [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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PDB1koj The crystal structure of rabbit phosphoglucose isomerase complexed with 5-phospho-D-arabinonohydroxamic acid.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I156 G158 S209 K210 T211 T214 G271 R272 E357
Binding residue
(residue number reindexed from 1)		I156 G158 S209 K210 T211 T214 G271 R272 E357
Annotation score1
Binding affinityMOAD: Ki=0.2uM
BindingDB: Ki=100nM
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
View graph for
Cellular Component
External links
PDB RCSB:1koj, PDBe:1koj, PDBj:1koj
PDBsum1koj
PubMed11983887
UniProtQ9N1E2|G6PI_RABIT Glucose-6-phosphate isomerase (Gene Name=GPI)

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