Structure of PDB 3bp8 Chain B Binding Site BS01

Receptor Information

>3bp8 Chain B (length=380) Species: 83333 (Escherichia coli K-12)

QIKQTNAGAVYRLIDQLGPVSRIDLSRLAQLAPASITKIVREMLEAHLVQ
ELVGLVVETEAWHYLSLRISRGEIFLALRDLSSKLVVEESQELALKDDSP
LLDRIISHIDQFFIRHQKKLERLTSIAITLPGIIDTENGIVHRMPFYEDV
KEMPLGEALEQHTGVPVYIQHDISAWTMAEALFGASRGARDVIQVVIDHN
VGAGVITDGHLLHAGSSSLVEIGHTQVDPYGKRCYCGNHGCLETIASVDS
ILELAQLRLNQSMSSMLHGQPLTVDSLCQAALRGDLLAKDIITGVGAHVG
RILAIMVNLFNPQKILIGSPLSKAADILFPVISDSIRQQALPAYSQHISV
ESTQFSNMAGAALVKDAMYNGSLLIRLLQG

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3bp8 Chain B Residue 407

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3bp8 Analyses of Mlc-IIBGlc interaction and a plausible molecular mechanism of Mlc inactivation by membrane sequestration
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): H247 C257 C259 C264
• Binding residue (residue number reindexed from 1): H224 C234 C236 C241
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0005515 protein binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006351 DNA-templated transcription
• GO:0006355 regulation of DNA-templated transcription

Cellular Component

• GO:0005737 cytoplasm
• GO:0016020 membrane

External links

• PDB: RCSB:3bp8, PDBe:3bp8, PDBj:3bp8
• PDBsum: 3bp8
• PubMed: 18319344
• UniProt: P50456|MLC_ECOLI DNA-binding transcriptional repressor Mlc (Gene Name=mlc)