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Structure of PDB 1a99 Chain B Binding Site BS01

Receptor Information >1a99 Chain B (length=341) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] QKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTG FDLVVPSASFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNK FAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVS FLDAPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQ YINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAFFD VFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAE VRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSG

Ligand information Ligand ID PUT InChI InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 InChIKey KIDHWZJUCRJVML-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C(CCN)CN ACDLabs 10.04 CACTVS 3.341 NCCCCN Formula C4 H12 N2 Name 1,4-DIAMINOBUTANE; PUTRESCINE ChEMBL CHEMBL46257 DrugBank DB01917 ZINC ZINC000005828633 PDB chain 1a99 Chain B Residue 371 [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 1a99 Crystal structure and mutational analysis of the Escherichia coli putrescine receptor. Structural basis for substrate specificity. Resolution 2.2 Å Binding residue (original residue number in PDB) W37 S38 Y40 W244 D247 F276 D278 Y314 Binding residue (residue number reindexed from 1) W9 S10 Y12 W216 D219 F248 D250 Y286 Annotation score 1 Binding affinity MOAD: Kd=2uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0019808 polyamine binding GO:0019810 putrescine binding

	Biological Process
GO:0015846	polyamine transport
GO:0015847	putrescine transport

	Cellular Component
GO:0016020	membrane
GO:0030288	outer membrane-bounded periplasmic space
GO:0042597	periplasmic space
GO:0055052	ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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