Structure of PDB 3cep Chain A Binding Site BS02

Receptor Information
>3cep Chain A (length=266) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELG
VPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLAIIREKHPTIPIGLLM
YANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPI
FICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLK
EYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQM
LAELRSFVSAMKAASR
Ligand information
Ligand IDIDM
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
InChIKeyLPAGFVYQRIESJQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CCN2
CACTVS 3.341C1Cc2ccccc2N1
ACDLabs 10.04c1cccc2c1CCN2
FormulaC8 H9 N
NameINDOLINE
ChEMBLCHEMBL388803
DrugBank
ZINCZINC000000967454
PDB chain3cep Chain A Residue 270 [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]
PDB3cep Structure and mechanistic implications of a tryptophan synthase quinonoid intermediate.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F22 E49 L100 Y175 T183 F212
Binding residue
(residue number reindexed from 1)		F21 E48 L99 Y174 T182 F211
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E49 D60 Y175
Catalytic site (residue number reindexed from 1) E48 D59 Y174
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:3cep, PDBe:3cep, PDBj:3cep
PDBsum3cep
PubMed18351684
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

[Back to BioLiP]