Structure of PDB 1xc1 Chain D Binding Site BS01

Receptor Information

>1xc1 Chain D (length=309) Species: 485 (Neisseria gonorrhoeae)

DITVYNGQHKEAAQAVADAFTRATGIKVKLNSAKGDQLAGQIKEEGSRSP
ADVFYSEQIPALATLSAANLLEPLPASTINETRGKGVPVAAKKDWVALSG
RSRVVVYDTRKLSEKDLEKSVLNYATPKWKNRIGYVPTSGAFLEQIVAIV
KLKGEAAALKWLKGLKEYGKPYAKNSVALQAVENGEIDAALINNYYWHAF
AREKGVQNVHTRLNFVRHRDPGALVTYSGAAVLKSSQNKDEAKKFVAFLA
GKEGQRALTAVRAEYPLNPHVVSTFNLEPIAKLEAPQVSATTVSEKEHAT
RLLEQAGMK

Ligand information

• Ligand ID: ZRC
• InChI: InChI=1S/H3O4P.13O.3Zr/c1-5(2,3)4;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;/q;;;;9*-1;4*+1/p-3
• InChIKey: WBTZCCQRTTWINH-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.370: [O-][Zr]123([O-])([O-])O[P]4(=O)O[Zr]5([O-])([O-])([O-])(O1)O[Zr]([O-])([O-])([O-])(O4)(O2)[O+]35
  OpenEye OEToolkits 1.7.2: [O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-]
• Formula: O17 P Zr3
• Name: OXO ZIRCONIUM(IV) CLUSTER
• PDB chain: 1xc1 Chain D Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xc1 Assembly of an Oxo-Zirconium(IV) Cluster in a Protein Cleft
• Resolution: 1.51 Å
• Binding residue (original residue number in PDB): S139 G140 A141 Y195 Y196 R262
• Binding residue (residue number reindexed from 1): S139 G140 A141 Y195 Y196 R262
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

External links

• PDB: RCSB:1xc1, PDBe:1xc1, PDBj:1xc1
• PDBsum: 1xc1
• PubMed: 15472987
• UniProt: P17259|FBP_NEIGO Major ferric iron-binding protein (Gene Name=fbp)