Structure of PDB 1r1n Chain F Binding Site BS01

Receptor Information
>1r1n 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 IDCNF
InChIInChI=1S/3Fe.9H2O.3O/h;;;9*1H2;;;/q+2;+3;+4;;;;;;;;;;;;/p-9
InChIKeyIYMKJKNVMFFAIB-UHFFFAOYSA-E
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7O[Fe]1(O[Fe]2(O1[Fe](O2)(O)(O)(O)O)(O)O)(O)O
OpenEye OEToolkits 2.0.7O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O
CACTVS 3.385O[Fe](O)(O)O[Fe]1(O)(O)O[Fe](O)(O)(O)(O)O1
FormulaFe3 H9 O12
NameOXO-IRON CLUSTER 3
ChEMBL
DrugBank
ZINC
PDB chain1r1n 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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PDB1r1n Oxo-iron clusters in a bacterial iron-trafficking protein: new roles for a conserved motif.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		Y195 R262
Binding residue
(residue number reindexed from 1)		Y195 R262
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport

View graph for
Biological Process
External links
PDB RCSB:1r1n, PDBe:1r1n, PDBj:1r1n
PDBsum1r1n
PubMed13129433
UniProtP17259|FBP_NEIGO Major ferric iron-binding protein (Gene Name=fbp)

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