Structure of PDB 1ox4 Chain B Binding Site BS01

Receptor Information
>1ox4 Chain B (length=538) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMPVVHVIDVESGNLQSLTNAIEHLGYEVQLVKSPKDFNISGTSRLIL
PGVGNYGHFVDNLFNRGFEKPIREYIESGKPIMGICVGLQALFAGSVESP
KSTGLNYIDFKLSRFDDSEKPVPEIGWNSCIPSENLFFGLDPYKRYYFVH
SFAAILNSEKKKNLENDGWKIAKAKYGSEEFIAAVNKNNIFATQFHPEKS
GKAGLNVIENFLKQQSPPIPNYSAEEKELLMNDYSNYGLTRRIIACLDVR
TNDQGDLVVTKGDLGKPVQLAQKYYQQGADEVTFLNITSFRDCPLKDTPM
LEVLKQAAKTVFVPLTVGGGIKDIVDVDGTKIPALEVASLYFRSGADKVS
IGTDAVYAAEKYYELGNRGDGTSPIETISKAYGAQAVVISVDPKRVYVNS
QADTKNKVFETEYPGPNGEKYCWYQCTIKGGRESRDLGVWELTRACEALG
AGEILLNCIDKDGSNSGYDLELIEHVKDAVKIPVIASSGAGVPEHFEEAF
LKTRADACLGAGMFHRGEFTVNDVKEYLLEHGLKVRMD
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain1ox4 Chain B Residue 999 [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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PDB1ox4 Towards Understanding the Mechanism of the Complex Cyclization Reaction Catalyzed by Imidazole Glycerophosphate Synthase: Crystal Structures of a Ternary Complex and the Free Enzyme
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G475 S500 A523 G524
Binding residue
(residue number reindexed from 1)		G463 S488 A511 G512
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D245 D404
Catalytic site (residue number reindexed from 1) D248 D392
Enzyme Commision number 3.5.1.2: glutaminase.
4.3.2.10: imidazole glycerol-phosphate synthase.
Gene Ontology
Molecular Function
GO:0000107 imidazoleglycerol-phosphate synthase activity
GO:0004359 glutaminase activity
GO:0016763 pentosyltransferase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0016833 oxo-acid-lyase activity
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0006541 glutamine metabolic process
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ox4, PDBe:1ox4, PDBj:1ox4
PDBsum1ox4
PubMed12795595
UniProtP33734|HIS5_YEAST Imidazole glycerol phosphate synthase hisHF (Gene Name=HIS7)

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