Structure of PDB 2chu Chain B Binding Site BS02

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 1312 [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 K121 R205
Binding residue
(residue number reindexed from 1)		Q74 R94 K97 R181
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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