Structure of PDB 4gfr Chain A Binding Site BS01

Receptor Information

>4gfr Chain A (length=529) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

RSELTIVPDFYPTMVRNFNPYLATNLRTTTDFIYEPLVVFNEMKGNTPVF
RLAESYKMADDLMSVTFDIRKGVKWSDGEAFTADDVVYSFGLLKAKPELD
QRGINKWVTSVEKVDEYKVRFRLSEANSNVPYEISLIPIVAEHVWKDVKD
PTTFTNENPVGTGPFTVIDTFTPQLYIQCRNPNYWDAANLEVDCLRVPQI
ANNDQLLGKIVNSELDWTSSFVPDIDRTYAAANPNHHYWYPAAGTQAFMV
NFKNPDPAKKEALDNVDFRRAFSMALDRQTIIDIAFYGSGTVNDFASGLG
YAFEAWSDEATHKKYKGFNTYDVEGSKKLLAKAGFKDVNGDGFVETPSGK
SFELLIQSPNGWTDFNNTVQLAVEQLQEVGIKAKARTPEFAVYNQAMLEG
TYDVAYTNYFHGADPFTYWNSGYNSALQSGDGMPRFAMHYFTDKKLDGLL
DSFYKTADKNEQLAIAHGIQKIIAENQVTIPVMSGAWMYQYNTTRFTGWW
SEENPKGRPSVWAGIPERLLHVLDLKPVK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4gfr Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gfr Chitin catabolic cascade in the marine bacterium Vibrio cholerae: properties, structure and functions of a periplasmic chitooligosaccharide binding protein (CBP)
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D337 N339 D341 F343 E345
• Binding residue (residue number reindexed from 1): D337 N339 D341 F343 E345
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:1904680 peptide transmembrane transporter activity

Biological Process

• GO:0042938 dipeptide transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space
• GO:0043190 ATP-binding cassette (ABC) transporter complex

External links

• PDB: RCSB:4gfr, PDBe:4gfr, PDBj:4gfr
• PDBsum: 4gfr
• UniProt: Q9KUA3