Structure of PDB 2chu Chain B Binding Site BS01

Receptor Information
>2chu Chain B (length=283) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PISMSDEGDSFLVKDSLGENKIPKNPSKVVILDLGILDTFDALKLNDKVV
GVPAKNLPKYLQQFKNKPSVGGVQQVDFEAINALKPDLIIISGRQSKFYD
KLKEIAPTLFVGLDNANFLSSFENNVLSVAKLYGLEKEALEKISDIKNEI
EKAKSIVDEDKKALIILTNSNKISAFGPQSRFGIIHDVLGINAVDENIKV
GKSINSEFILEKNPDYIFVVDRNVILGNKERAQGILDNALVAKTKAAQNK
KIIYLDPEYWYLASGNGLESLKTMILEIKNAVK
Ligand information
Ligand IDECA
InChIInChI=1S/C30H27N3O9/c34-22-7-1-4-19(25(22)37)28(40)31-13-16-10-17(14-32-29(41)20-5-2-8-23(35)26(20)38)12-18(11-16)15-33-30(42)21-6-3-9-24(36)27(21)39/h1-12,34-39H,13-15H2,(H,31,40)(H,32,41)(H,33,42)
InChIKeyGCTFIRZGPIUOAK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(c1cccc(O)c1O)NCc2cc(cc(c2)CNC(=O)c3cccc(O)c3O)CNC(=O)c4cccc(O)c4O
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O
CACTVS 3.341Oc1cccc(C(=O)NCc2cc(CNC(=O)c3cccc(O)c3O)cc(CNC(=O)c4cccc(O)c4O)c2)c1O
FormulaC30 H27 N3 O9
NameN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-DIHYDROXYBENZAMIDE)
ChEMBLCHEMBL1232471
DrugBank
ZINCZINC000005707076
PDB chain2chu Chain B Residue 1311 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2chu An [{Fe(Mecam)}(2)](6-) Bridge in the Crystal Structure of a Ferric Enterobactin Binding Protein.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q98 R118 R205 R249 L253 Y288
Binding residue
(residue number reindexed from 1)		Q74 R94 R181 R222 L226 Y261
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2chu, PDBe:2chu, PDBj:2chu
PDBsum2chu
PubMed16927323
UniProtQ0P8Q4

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