Structure of PDB 7ju3 Chain A Binding Site BS03

Receptor Information
>7ju3 Chain A (length=202) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALKTKEHLMLAALETFYRKGIARTSLNEIAQAAGVTRGALYWHFKNKEDL
FDALFQRICDDIENCIAQDAADAEGGSWTVFRHTLLHFFERLQSNDIHYK
FHNILFLKCEHTEQNAAVIAIARKHQAIWREKITAVLTEAVENQDLADDL
DKETAVIFIKSTLDGLIWRWFSSGESFDLGKTAPRIIGIMMDNLENHPCL
RR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7ju3 Chain A Residue 301 [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]
PDB7ju3 Structures of Neisseria gonorrhoeae MtrR-operator complexes reveal molecular mechanisms of DNA recognition and antibiotic resistance-conferring clinical mutations.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R30 E35
Binding residue
(residue number reindexed from 1)		R23 E28
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7ju3, PDBe:7ju3, PDBj:7ju3
PDBsum7ju3
PubMed33784401
UniProtP39897|MTRR_NEIGO HTH-type transcriptional regulator MtrR (Gene Name=mtrR)

[Back to BioLiP]