Structure of PDB 2owt Chain A Binding Site BS02

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 IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain2owt Chain A Residue 325 [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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PDB2owt Anion-dependent hinge motion in ferric binding proteins
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R14 E15 L18 V62 R105 Y143 Y199 Y200
Binding residue
(residue number reindexed from 1)		R10 E11 L14 V58 R101 Y139 Y195 Y196
Annotation score3
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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