Structure of PDB 1o7t Chain I Binding Site BS01

Receptor Information

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

DITVYNGQHKEAAQAVADAFTRATGIKVKLNSAKGDQLAGQIKEEGSRSP
ADVFYSEQIPALATLSAANLLEPLPASTINETRGKGVPVAAKKDWVALSG
RSRVVVYDTRKLSEKDLEKSVLNYATPKWKNRIGYVPTSGAFLEQIVAIV
KLKGEAAALKWLKGLKEYGKPYAKNSVALQAVENGEVDAALINNYYWHAF
AREKGVQNVHTRLNFVRHRDPGALVTYSGAAVLKSSQNKDEAKKFVAFLA
GKEGQRALTAVRAEYPLNPHVVSTFNLEPIAKLEAPQVSATTVSEKEHAT
RLLEQAGMK

Ligand information

• Ligand ID: PHF
• InChI: InChI=1S/5Hf.H3O4P.11H2O.8O/c;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;;;;;(H3,1,2,3,4);11*1H2;;;;;;;;/q2*+2;2*+3;+4;;;;;;;;;;;;;;;;;;;;/p-14
• InChIKey: YWHPABBSPOVOJT-UHFFFAOYSA-A
• SMILES:
  CACTVS 3.385: O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5
  OpenEye OEToolkits 2.0.7: O[Hf]12(O[Hf]34(O15[Hf]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O
  OpenEye OEToolkits 2.0.7: O[Hf]12(O[Hf]34(O15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O
  CACTVS 3.385: O[Hf]123O[P@@]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5
• Formula: H11 Hf5 O23 P
• Name: HF-OXO-PHOSPHATE CLUSTER PHF
• PDB chain: 1o7t Chain I 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): H9 S139 G140 A141 K174 N175 Y195 Y196
• Binding residue (residue number reindexed from 1): H9 S139 G140 A141 K174 N175 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