Structure of PDB 1r1n Chain B Binding Site BS01

Receptor Information
>1r1n Chain B (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 IDCNB
InChIInChI=1S/3Fe.8H2O.3O/h;;;8*1H2;;;/q+2;2*+3;;;;;;;;;;;/p-8
InChIKeyHGBUJFYYDTXMPV-UHFFFAOYSA-F
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O
CACTVS 3.341O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1
CACTVS 3.341O[Fe@@]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1
FormulaFe3 H8 O11
NameOXO-IRON CLUSTER 1
ChEMBL
DrugBank
ZINC
PDB chain1r1n Chain B 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)		H9 N175 Y195 Y196
Binding residue
(residue number reindexed from 1)		H9 N175 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:1r1n, PDBe:1r1n, PDBj:1r1n
PDBsum1r1n
PubMed13129433
UniProtP17259|FBP_NEIGO Major ferric iron-binding protein (Gene Name=fbp)

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