Structure of PDB 2ows Chain A Binding Site BS02

Receptor Information
>2ows Chain A (length=314) Species: 257313 (Bordetella pertussis Tohama I) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEVSLYTTREPKLIQPLLDAFAKDSGIKVNTVFVKDGLLERVRAEGDKSP
ADVLMTVDIGNLIDLVNGGVTQKIQSQTLDSVVPANLRGAEGSWYALSLR
DRVLYVEKDLKLDSFRYGDLADPKWKGKVCIRSGQHPYNTALVAAMIAHD
GAEATEKWLRGVKANLARKAAGGDRDVARDILGGICDIGLANAYYVGHMK
NAEPGTDARKWGDAIKVVRPTFAGGTHVNISGAAVAAHAPNKANAVKLLE
YLVSEPAQTLYAQANYEYPVRAGVKLDAVVASFGPLKVDTLPVAEIAKYR
KQASELVDKVGFDN
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain2ows Chain A Residue 325 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ows Anion-dependent hinge motion in ferric binding proteins
Resolution1.49 Å
Binding residue
(original residue number in PDB)		R137 Y143 G178 R180 Y200
Binding residue
(residue number reindexed from 1)		R132 Y138 G173 R175 Y195
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:2ows, PDBe:2ows, PDBj:2ows
PDBsum2ows
PubMed
UniProtQ7VXW9

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