Structure of PDB 5w3a Chain A Binding Site BS01

Receptor Information
>5w3a Chain A (length=171) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKEYTLDKAHTDVGFKIKHLQISNVKGNFKDYSAVIDFDPASAEFKKLDV
TIKIASVNTENQTRDNHLQQDDFFKAKKYPDMTFTMKKYEKIDNEKGKMT
GTLTIAGVSKDIVLDAEIGGVAKGKDGKEKIGFSLNGKIKRSDFKFATST
STITLSDDINLCIEVEANEKE
Ligand information
Ligand IDMNB
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
InChIKeyGANZODCWZFAEGN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
CACTVS 3.341OC(=O)c1cc(S)ccc1[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]
FormulaC7 H5 N O4 S
Name5-MERCAPTO-2-NITRO-BENZOIC ACID
ChEMBL
DrugBankDB02763
ZINCZINC000002046780
PDB chain5w3a Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5w3a Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		N156 C182
Binding residue
(residue number reindexed from 1)		N136 C162
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links