Structure of PDB 2owt Chain A Binding Site BS01

Receptor Information
>2owt Chain A (length=315) Species: 257313 (Bordetella pertussis Tohama I) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDEVSLYTTREPKLIQPLLDAFAKDSGIKVNTVFVKDGLLERVRAEGDKS
PADVLMTVDIGNLIDLVNGGVTQKIQSQTLDSVVPANLRGAEGSWYALSL
RDRVLYVEKDLKLDSFRYGDLADPKWKGKVCIRSGQHPYNTALVAAMIAH
DGAEATEKWLRGVKANLARKAAGGDRDVARDILGGICDIGLANAYYVGHM
KNAEPGTDARKWGDAIKVVRPTFAGGTHVNISGAAVAAHAPNKANAVKLL
EYLVSEPAQTLYAQANYEYPVRAGVKLDAVVASFGPLKVDTLPVAEIAKY
RKQASELVDKVGFDN
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2owt Chain A Residue 324 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2owt Anion-dependent hinge motion in ferric binding proteins
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R105 Y143 Y199 Y200
Binding residue
(residue number reindexed from 1)		R101 Y139 Y195 Y196
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2owt, PDBe:2owt, PDBj:2owt
PDBsum2owt
PubMed
UniProtQ7VXW9

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