Structure of PDB 1r1n Chain G Binding Site BS01

Receptor Information
>1r1n Chain G (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 G 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 S176 Y195 Y196
Binding residue
(residue number reindexed from 1)		K174 N175 S176 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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