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Structure of PDB 5a5v Chain A Binding Site BS02

Receptor Information >5a5v Chain A (length=288) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] AMLPISMSDEGDSFLVKDSLGENKIPKNPSKVVILDLGILDTFDALKLND KVVGVPAKNLPKYLQQFKNKPSVGGVQQVDFEAINALKPDLIIISGRQSK FYDKLKEIAPTLFVGLDNANFLSSFENNVLSVAKLYGLEKEALEKISDIK NEIEKAKSIVDEDKKALIILTNSNKISAFGPQSRFGIIHDVLGINAVDEN IKVGTHGKSINSEFILEKNPDYIFVVDRNVILGNERAQGILDNALVAKTK AAQNKKIIYLDPEYWYLASGNGLESLKTMILEIKNAVK

Ligand information Ligand ID PXJ InChI InChI=1S/C20H24N2O6/c23-15-9-5-7-13(17(15)25)19(27)21-11-3-1-2-4-12-22-20(28)14-8-6-10-16(24)18(14)26/h5-10,23-26H,1-4,11-12H2,(H,21,27)(H,22,28) InChIKey JWUBPLNIABBTRS-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.385 Oc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(O)c2O)c1O OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O Formula C20 H24 N2 O6 Name N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide) ChEMBL CHEMBL5285407 DrugBank ZINC PDB chain 5a5v Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 5a5v Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Resolution 2.04 Å Binding residue (original residue number in PDB) V97 Q98 R118 R205 T226 H227 R249 L253 Y288 Binding residue (residue number reindexed from 1) V76 Q77 R97 R184 T205 H206 R228 L232 Y266 Annotation score 1 Binding affinity MOAD: Kd=33nM PDBbind-CN: -logKd/Ki=7.48,Kd=33nM

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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