Structure of PDB 1xc1 Chain F Binding Site BS01

Receptor Information
>1xc1 Chain F (length=309) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DITVYNGQHKEAAQAVADAFTRATGIKVKLNSAKGDQLAGQIKEEGSRSP
ADVFYSEQIPALATLSAANLLEPLPASTINETRGKGVPVAAKKDWVALSG
RSRVVVYDTRKLSEKDLEKSVLNYATPKWKNRIGYVPTSGAFLEQIVAIV
KLKGEAAALKWLKGLKEYGKPYAKNSVALQAVENGEIDAALINNYYWHAF
AREKGVQNVHTRLNFVRHRDPGALVTYSGAAVLKSSQNKDEAKKFVAFLA
GKEGQRALTAVRAEYPLNPHVVSTFNLEPIAKLEAPQVSATTVSEKEHAT
RLLEQAGMK
Ligand information
Ligand IDZRC
InChIInChI=1S/H3O4P.13O.3Zr/c1-5(2,3)4;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;/q;;;;9*-1;4*+1/p-3
InChIKeyWBTZCCQRTTWINH-UHFFFAOYSA-K
SMILES
SoftwareSMILES
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-]
FormulaO17 P Zr3
NameOXO ZIRCONIUM(IV) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1xc1 Chain F Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1xc1 Assembly of an Oxo-Zirconium(IV) Cluster in a Protein Cleft
Resolution1.51 Å
Binding residue
(original residue number in PDB)		S139 G140 Y195 Y196
Binding residue
(residue number reindexed from 1)		S139 G140 Y195 Y196
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport

View graph for
Biological Process
External links
PDB RCSB:1xc1, PDBe:1xc1, PDBj:1xc1
PDBsum1xc1
PubMed15472987
UniProtP17259|FBP_NEIGO Major ferric iron-binding protein (Gene Name=fbp)

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