Structure of PDB 1o7t Chain C Binding Site BS01

Receptor Information

>1o7t Chain C (length=309) Species: 485 (Neisseria gonorrhoeae)

DITVYNGQHKEAAQAVADAFTRATGIKVKLNSAKGDQLAGQIKEEGSRSP
ADVFYSEQIPALATLSAANLLEPLPASTINETRGKGVPVAAKKDWVALSG
RSRVVVYDTRKLSEKDLEKSVLNYATPKWKNRIGYVPTSGAFLEQIVAIV
KLKGEAAALKWLKGLKEYGKPYAKNSVALQAVENGEVDAALINNYYWHAF
AREKGVQNVHTRLNFVRHRDPGALVTYSGAAVLKSSQNKDEAKKFVAFLA
GKEGQRALTAVRAEYPLNPHVVSTFNLEPIAKLEAPQVSATTVSEKEHAT
RLLEQAGMK

Ligand information

• Ligand ID: HF5
• InChI: InChI=1S/5Hf.12H2O.9O/h;;;;;12*1H2;;;;;;;;;/q+1;2*+2;+3;+4;;;;;;;;;;;;;;;;;;;;;/p-12
• InChIKey: GIVDBOIHCZOXMU-UHFFFAOYSA-B
• SMILES:
  OpenEye OEToolkits 2.0.7: O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)(O4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O
  OpenEye OEToolkits 2.0.7: O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O
  CACTVS 3.385: O[Hf]123O[Hf](O)(O)(O)(O)O[Hf]4(O)(O)(O1)O[Hf]5(O)(O)(O2)O[Hf](O)(O)(O)(O3)(O4)O5
• Formula: H12 Hf5 O21
• Name: HF OXO CLUSTER HF5
• PDB chain: 1o7t Chain C Residue 1310

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1o7t A novel protein-mineral interface.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): K34 A141 Y195 Y196
• Binding residue (residue number reindexed from 1): K34 A141 Y195 Y196
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0006826 iron ion transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:1o7t, PDBe:1o7t, PDBj:1o7t
• PDBsum: 1o7t
• PubMed: 12598891
• UniProt: Q50964