Structure of PDB 1z42 Chain A Binding Site BS02

Receptor Information
>1z42 Chain A (length=337) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIG
QVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGI
QLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAA
RAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREII
DEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSG
ALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRA
DLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW
Ligand information
Ligand IDHBA
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O
CACTVS 3.341Oc1ccc(C=O)cc1
ACDLabs 10.04O=Cc1ccc(O)cc1
FormulaC7 H6 O2
NameP-HYDROXYBENZALDEHYDE
ChEMBLCHEMBL14193
DrugBankDB03560
ZINCZINC000000156709
PDB chain1z42 Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z42 The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y28 I69 H164 H167 Y169
Binding residue
(residue number reindexed from 1)		Y27 I68 H163 H166 Y168
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C26 H164 H167 Y169 R215 D223
Catalytic site (residue number reindexed from 1) C25 H163 H166 Y168 R214 D222
Enzyme Commision number 1.6.99.1: NADPH dehydrogenase.
Gene Ontology
Molecular Function
GO:0003959 NADPH dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
Biological Process
GO:0009636 response to toxic substance

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Molecular Function
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Biological Process
External links
PDB RCSB:1z42, PDBe:1z42, PDBj:1z42
PDBsum1z42
PubMed15890652
UniProtP54550|NAMA_BACSU NADPH dehydrogenase (Gene Name=namA)

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