Structure of PDB 8hps Chain D Binding Site BS03

Receptor Information

>8hps Chain D (length=368) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

AEIVLDRVTKSYPDVRAAVKEFSMTIADGEFIILVGPSGCGKSTTLNMIA
GLEEITSGELRIGGERVNEKAPKDRDIAMVFQSYALYPHMTVRQNIAFPL
TLAKVPKAEIAAKVEETAKILDLSELLDRKPGQLSGGQRQRVAMGRAIVR
SPKAFLMDQPLSNLDAKLRVQMRAEISRLQDRLGTTTVYVTHDQTEAMTL
GDRVVVMLAGEVQQIGTPDELYSSPANLFVAGFIGSPAMNFFPATRTDVG
VRLPFGEVTLTPHMLDLLDKQARPENIIVGIRPEHIEDSALLDGYARIRA
LTFSVRADIVESLGADKYVHFTTEGAGAFIARVSADSRVRTGEQIELAID
TTKLSIFDAATGLNLTRD

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: 8hps Chain D Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8hps Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
• Resolution: 3.51 Å
• Binding residue (original residue number in PDB): S48 Q87
• Binding residue (residue number reindexed from 1): S43 Q82
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity
• GO:0140359 ABC-type transporter activity

Biological Process

• GO:0008643 carbohydrate transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0043190 ATP-binding cassette (ABC) transporter complex
• GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

External links

• PDB: RCSB:8hps, PDBe:8hps, PDBj:8hps
• PDBsum: 8hps
• PubMed: 37619560
• UniProt: A0R2C0