Structure of PDB 4nec Chain B Binding Site BS03

Receptor Information
>4nec Chain B (length=244) Species: 324833 (Streptomyces lasalocidi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTEVFDAVYRGESPFGKRPPWDIGAPQPAYVALEKAGLIQGAVLDAGCG
TGEDALHLAGLGYAVTGLDLSPTAISVARDKADARGLGAVFEVADALDLT
GWEERFDTVIDSGLAHTFEGDRLRAYATALHRACRPGAVAHILSISDRGS
AEMQARLAEAIDEIPAPLPDDDESPTLKRSADHLRDGFAEGWTIESIDES
LMRGVIPTTSELLDVHAWLGRFRRDWNSSSVDKLAAALEHHHHH
Ligand information
Ligand IDQUI
InChIInChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKeyUPUZGXILYFKSGE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ncc(n2)C(=O)O
CACTVS 3.341OC(=O)c1cnc2ccccc2n1
ACDLabs 10.04O=C(O)c1nc2ccccc2nc1
FormulaC9 H6 N2 O2
Name2-CARBOXYQUINOXALINE
ChEMBLCHEMBL151797
DrugBank
ZINCZINC000000158579
PDB chain4nec Chain F Residue 102 [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]
PDB4nec Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Q153 L167
Binding residue
(residue number reindexed from 1)		Q154 L168
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4nec, PDBe:4nec, PDBj:4nec
PDBsum4nec
PubMed24302672
UniProtQ0X0A7

[Back to BioLiP]