Structure of PDB 6tfx Chain A Binding Site BS02

Receptor Information

>6tfx Chain A (length=493) Species: 358 (Agrobacterium tumefaciens)

AKTELSMGVASEDVTTLDPHFATTTSDRTLVSYIYGALVRFAPGSANPSS
IEADLAESWESNADQLVWTFKLRPDVKWQGGYGNVTADDVVFSLDKARDP
KRSAFSGDYAAIQKVEAVDAKTVRITLTRRVPSLLALLSNFSGGFIIPKK
AFKERGDDFKRRPVGFGPFQVESIQPGQSVTLTANAEYFRGKPKLSKISY
RFLNNEAARDLAFESGELDVEQGNQDQRWLQRLTANPENVVDTIEPAELN
LLHINITKPPFNDIRVRQALAHTVNAAQIAKYRGERVNRAVPSVIPSNNL
GFDPDAGVLNYDPAQSKKLLAEAGFPNGVTVTMVASQLPGLESLAQLIQA
QVAEGGFTLNLQPVEHAAWHQMIRKDLSPIVLYGAARFPIADYYLTQFYH
SASEIGKPTQVVNFSHCNVADKQIEAARTETDPNKQIELWKEAQKLIVSN
VCAIPLTENLGTWARKNKLGWGFELKGSMPSAPLITEQTYFKD

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6tfx Chain A Residue 604

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6tfx Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.
• Resolution: 1.56 Å
• Binding residue (original residue number in PDB): S40 T53
• Binding residue (residue number reindexed from 1): S11 T24
• Annotation score: 4

Gene Ontology

Molecular Function

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

Biological Process

• GO:0015833 peptide transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space
• GO:0042597 periplasmic space
• GO:0043190 ATP-binding cassette (ABC) transporter complex

External links

• PDB: RCSB:6tfx, PDBe:6tfx, PDBj:6tfx
• PDBsum: 6tfx
• PubMed: 31922182
• UniProt: O50271