Structure of PDB 5hm4 Chain B Binding Site BS01

Receptor Information

>5hm4 Chain B (length=540) Species: 2336 (Thermotoga maritima)

VLERNETMYYGGSLWSPPSNWNPFTPWNAVPGTTGLVYETMFFYDPLTGN
FDPWLAEKGEWLDSKTYRVVLREGIYWHDNVPLTSEDVRFTFEIAKKYKG
IHYSSVWEWLDHIETPDNRTVIFVFKDPRYHEWNELLYTLPIVPKHIWEE
KDETTILQSSNEYPLGSGPYVAHSWDQNKMIFERFENWWGTKVMGVKPAP
KYVVIVRVLSNNVALGMLMKGELDFSNFMLPGVPILKKVYNLNTWYDEPP
YHLSSTVVGLFLNARKYPLSLPEFRRAIAMSINADPIVQRVYEGAVLKAD
PLGFLPNSVWMKYYPKEVVEKHGFKYDPEEAKSILDKLGFRDVNGDGFRE
TPDGKPIKLTIECPYGWTDWMQAIQVIVDQLKVVGINAEPYFPDSSKYYE
NMYKGEFDIEMNANGTGISSTPWTYFNTIFYPDALESEFSYTGNYGRYQN
PEVESLLEELNRTPLDNVEKVTELCGKLGEILLKDLPFIPLWYGAMAFIT
QDNVWTNWPNEHNPYAWPCGWANWWQTGALKILFNLKPAK

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5hm4 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hm4 Periplasmic Binding Protein Dimer Has a Second Allosteric Event Tied to Ligand Binding.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D362 N364 D366 F368 E370
• Binding residue (residue number reindexed from 1): D342 N344 D346 F348 E350
• 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:5hm4, PDBe:5hm4, PDBj:5hm4
• PDBsum: 5hm4
• PubMed: 28876049
• UniProt: Q9X0V3