Structure of PDB 6wt2 Chain A Binding Site BS01

Receptor Information
>6wt2 Chain A (length=221) Species: 122587 (Neisseria meningitidis Z2491) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTVLDREQVLSAFKNRKSCRHYDAARKISAEDFQFILELGRLSPSSVGSE
PWQFVVVQNPEIRQAIKPFSWGMADALDTASHLVVFLAKKNARFDSPFML
ESLKRRGVTEPDAMAKSLARYQAFQADDIKILDDSRALFDWCCRQTYIAL
GNMMTGAAMAGIDSCPVEGFNYADMERVLSGQFGLFDAAEWGVSVAATFG
YRVQEIATKARRPLEETVIWA
Ligand information
Ligand IDNIO
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1
FormulaC6 H5 N O2
NameNICOTINIC ACID
ChEMBLCHEMBL573
DrugBankDB00627
ZINCZINC000000001795
PDB chain6wt2 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wt2 Crystal Structure of Putative NAD(P)H-Flavin Oxidoreductase from Neisseria meningitidis
Resolution1.75 Å
Binding residue
(original residue number in PDB)		V47 R106 F124
Binding residue
(residue number reindexed from 1)		V47 R106 F124
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R20 A76 E168
Catalytic site (residue number reindexed from 1) R20 A76 E168
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Biological Process
GO:0046256 2,4,6-trinitrotoluene catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:6wt2, PDBe:6wt2, PDBj:6wt2
PDBsum6wt2
PubMed35195438
UniProtA0A0U1RIB4

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