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Structure of PDB 1m4i Chain A Binding Site BS03

Receptor Information >1m4i Chain A (length=181) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MHTQVHTARLVHTADLDSETRQDIRQMVTGAFAGDFTETDWEHTLGGMHA LIWHHGAIIAHAAVIQRRLIYRGNALRCGYVEGVAVRADWRGQRLVSALL DAVEQVMRGAYQLGALSSSARARRLYASRGWLPWHGPTSVLAPTGPVRTP DDDGTVFVLPIDISLDTSAELMCDWRAGDVW

Ligand information Ligand ID PAP InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 InChIKey GBBWIZKLHXYJOA-KQYNXXCUSA-N SMILES Software SMILES ACDLabs 10.04 O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O CACTVS 3.341 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N CACTVS 3.341 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O Formula C10 H16 N5 O13 P3 Name 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE ChEMBL DrugBank DB01842 ZINC ZINC000013527438 PDB chain 1m4i Chain A Residue 602 [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 1m4i Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates. Resolution 1.5 Å Binding residue (original residue number in PDB) H54 H55 D89 W90 Q93 Binding residue (residue number reindexed from 1) H54 H55 D89 W90 Q93 Annotation score 3

Enzymatic activity Enzyme Commision number 2.3.1.-

Gene Ontology Molecular Function GO:0016746 acyltransferase activity GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups GO:0034069 aminoglycoside N-acetyltransferase activity GO:0047921 aminoglycoside 2'-N-acetyltransferase activity

	Biological Process
GO:0030649	aminoglycoside antibiotic catabolic process
GO:0046677	response to antibiotic

	Cellular Component
GO:0005886	plasma membrane

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