Structure of PDB 8cly Chain BBB Binding Site BS01

Receptor Information
>8cly Chain BBB (length=334) Species: 29449 (Rhizobium etli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNPVTVEVTRGLLVESRHRGAVAVVDGDGKLFFSLGDIDTAVFPRSACKA
MQALPLVESGAADAYGFGDKELALACASHNGEEEHVALAASMLSRAGRNV
EALECGAHWSMNQKVLIQQARSLDAPTALHNNCSGKHAGFICACCHRDID
PKGYVGYEHPLQVEIRAVMERLTGAVLGAESCGTDGCSIPTYAMPLRNLA
HGFARMATGTGLEPLRAKASRRLIEACMAEPFYVAGSGRACTKLMQIAPG
RIFVKTGAEGVFCAAIPEKGIGISLKSEDGATRAAEAMVAATLARFFETE
ETVHAALMAFAAMPMRNWNGIHVGDIRATSVFSA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8cly Chain BBB Residue 401 [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]
PDB8cly Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Resolution2.503 Å
Binding residue
(original residue number in PDB)		C134 K137 C188
Binding residue
(residue number reindexed from 1)		C133 K136 C187
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8cly, PDBe:8cly, PDBj:8cly
PDBsum8cly
PubMed37494066
UniProtQ2KB35

[Back to BioLiP]