Structure of PDB 2iz0 Chain A Binding Site BS02

Receptor Information
>2iz0 Chain A (length=469) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAQANFGVVGMAVMGKNLALNVESRGYTVAIYNRTTSKTEEVFKEHQDKN
LVFTKTLEEFVGSLEKPRRIMLMVQAGAATDATIKSLLPLLDIGDILIDG
GNTHFPDTMRRNAELADSGINFIGTGVSGGEKGALLGPSMMPGGQKEAYD
LVAPIFEQIAAKAPQDGKPCVAYMGANGAGHYVKMVHNGIEYGDMQLIAE
SYDLLKRILGLSNAEIQAIFEEWNEGELDSYLIEITKEVLKRKDDEGEGY
IVDKILDKAGNKGTGKWTSESALDLGVPLPLITESVFARYISTYKDERVK
ASKVLSGPALDFSGDKKEVIEKIRKALYFSKIMSYAQGFAQLRKASEEFD
WDLPYGTIAQIWRAGCIIRAEFLQNITDAFDKDSELENLLLDDYFVDITK
RYQEAVRDVVSLAVQAGTPIPTFTSAISYYDSYRSENLPANLIQAQRDYF
GAHTYERTDKAGIFHYDWY
Ligand information
Ligand IDRES
InChIInChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
InChIKeyJJQQOJRGUHNREK-PWNYCUMCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341ONC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341ONC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)NO)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)NO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O
FormulaC4 H10 N O8 P
Name4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID
ChEMBLCHEMBL116018
DrugBankDB04496
ZINC
PDB chain2iz0 Chain A Residue 1471 [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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PDB2iz0 Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N102 K184 N188 E191 Y192 N261 K262
Binding residue
(residue number reindexed from 1)		N102 K184 N188 E191 Y192 N261 K262
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S128 K184 H187 N188 E191
Catalytic site (residue number reindexed from 1) S128 K184 H187 N188 E191
Enzyme Commision number 1.1.1.44: phosphogluconate dehydrogenase (NADP(+)-dependent, decarboxylating).
Gene Ontology
Molecular Function
GO:0004616 phosphogluconate dehydrogenase (decarboxylating) activity
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
Biological Process
GO:0006098 pentose-phosphate shunt
GO:0009051 pentose-phosphate shunt, oxidative branch
GO:0016054 organic acid catabolic process
GO:0019521 D-gluconate metabolic process
GO:0046177 D-gluconate catabolic process
Cellular Component
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:2iz0, PDBe:2iz0, PDBj:2iz0
PDBsum2iz0
PubMed17222187
UniProtP96789|6PGD_LACLM 6-phosphogluconate dehydrogenase, decarboxylating (Gene Name=gnd)

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