Structure of PDB 1z44 Chain A Binding Site BS02

Receptor Information
>1z44 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 IDNPO
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O
FormulaC6 H5 N O3
NameP-NITROPHENOL
ChEMBLCHEMBL14130
DrugBankDB04417
ZINCZINC000034828682
PDB chain1z44 Chain A Residue 1506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z44 The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
Resolution1.4 Å
Binding residue
(original residue number in PDB)		C26 Y28 I69 H164 H167 Y169
Binding residue
(residue number reindexed from 1)		C25 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:1z44, PDBe:1z44, PDBj:1z44
PDBsum1z44
PubMed15890652
UniProtP54550|NAMA_BACSU NADPH dehydrogenase (Gene Name=namA)

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