Structure of PDB 6x0c Chain A Binding Site BS01

Receptor Information
>6x0c Chain A (length=253) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL
GVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLL
MYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAP
IFICPPNADDDLLRQVASYGRGYTYLLLHHLIEKLKEYHAAPALQGFGIS
SPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAA
SRA
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 chain6x0c Chain A Residue 601 [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]
PDB6x0c External aldimine form of Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and benzimidazole at the enzyme beta site.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		F22 E49 D60 L100 Y175
Binding residue
(residue number reindexed from 1)		F22 E49 D60 L100 Y175
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0005515 protein binding
GO:0016829 lyase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6x0c, PDBe:6x0c, PDBj:6x0c
PDBsum6x0c
PubMed
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

[Back to BioLiP]