Structure of PDB 2hxw Chain B Binding Site BS01

Receptor Information
>2hxw Chain B (length=230) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNLYGPGGPHTALKDIANKYSEKTGVKVNVNFGPQATWFEKAKKDADILF
GASDQSALAIASDFGKDFNVSKIKPLYFREAIILTQKGNPLKIKGLKDLA
NKKVRIVVPEGAGKSNTSGTGVWEDMIGRTQDIKTIQNFRNNIVAFVPNS
GSARKLFAQDQADAWITWIDWSKSNPDIGTAVAIEKDLVVYRTFNVIAKE
GASKETQDFIAYLSSKEAKEIFKKYGWREH
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain2hxw Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hxw Structural context for protein N-glycosylation in bacteria: The structure of PEB3, an adhesin from Campylobacter jejuni.
Resolution1.6 Å
Binding residue
(original residue number in PDB)
P27 G28 G54 P55 T138 S139 N170 S173
Binding residue
(residue number reindexed from 1)
P6 G7 G33 P34 T117 S118 N149 S152
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0140104 molecular carrier activity
Biological Process
GO:1902358 sulfate transmembrane transport
Cellular Component
GO:0042597 periplasmic space

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:2hxw, PDBe:2hxw, PDBj:2hxw
PDBsum2hxw
PubMed17456748
UniProtQ0PBL7

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