Structure of PDB 9bnj Chain C Binding Site BS01

Receptor Information
>9bnj Chain C (length=465) Species: 585 (Proteus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKRIVEPFRIKMVEKIRVPSREEREAALKEAGYNPFLLPSSAVYIDLLTD
SGTNAMSDHQWAAMITGDEAYAGSRNYYDLKDKAKELFNYDYIIPAHQGR
GAENILFPVLLKYKQKEGKAKNPVFISNFHFDTTAAHVELNGCKAINIVT
EKAFDSETYDDWKGDFDIKKLKENIAQHGADNIVAIVSTVTCNSAGGQPV
SMSNLKEVYEIAKQHGIFVVMDSARFCENAYFIKARDPKYKNATIKEVIF
DMYKYADALTMSAKKDPLLNIGGLVAIRDNEEIFTLARQRCVPMEGFVTY
GGLAGRDMAAMVQGLEEGTEEEYLHYRIGQVKYLGDRLREAGIPIQYPTG
GHAVFVDCKKLVPQIPGDQFPAQAVINALYLESGVRAVEIGSFLLGRDPA
TGEQKHADMEFMRLTIARRVYTNDHMDYIADALIGLKEKFATLKGLEFEY
EPPVLRHFTARLKPI
Ligand information
Ligand IDBZI
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKeyHYZJCKYKOHLVJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)[nH]cn2
CACTVS 3.341[nH]1cnc2ccccc12
FormulaC7 H6 N2
NameBENZIMIDAZOLE
ChEMBLCHEMBL306226
DrugBankDB02962
ZINCZINC000000331902
PDB chain9bnj Chain C Residue 502 [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]
PDB9bnj Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
Resolution1.51 Å
Binding residue
(original residue number in PDB)		F37 F132 D133 V389 R414 F459
Binding residue
(residue number reindexed from 1)		F36 F131 D132 V388 R413 F458
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.1: tryptophanase.
Gene Ontology
Molecular Function
GO:0009034 tryptophanase activity
GO:0016829 lyase activity
Biological Process
GO:0006569 tryptophan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:9bnj, PDBe:9bnj, PDBj:9bnj
PDBsum9bnj
PubMed
UniProtP28796|TNAA_PROVU Tryptophanase (Gene Name=tnaA)

[Back to BioLiP]