Structure of PDB 1r1n Chain I Binding Site BS01

Receptor Information
>1r1n Chain I (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 IDCN1
InChIInChI=1S/3Fe.O2.9H2O.O/c;;;1-2;;;;;;;;;;/h;;;;9*1H2;/q2*+3;+4;-1;;;;;;;;;;/p-9
InChIKeySUDSRVCDIHGFGD-UHFFFAOYSA-E
SMILES
SoftwareSMILES
CACTVS 3.385O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1
OpenEye OEToolkits 2.0.7O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O
OpenEye OEToolkits 2.0.7O[Fe](O)(O)O1O[Fe]1(O)(O)O[Fe](O)(O)(O)O
FormulaFe3 H9 O12
NameOXO-IRON CLUSTER 2
ChEMBL
DrugBank
ZINC
PDB chain1r1n Chain I 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)		K174 N175 Y196
Binding residue
(residue number reindexed from 1)		K174 N175 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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