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Structure of PDB 1krr Chain C Binding Site BS02

Receptor Information >1krr Chain C (length=200) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] NMPMTERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLI KEMFATVGENAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDN VLIAPNVTLSVTGHPVHHELRKNGEMYSFPITIGNNVWIGSHVVINPGVT IGDNSVIGAGSIVTKDIPPNVVAAGVPCRVIREINDRDKHYYFKDYKVES

Ligand information Ligand ID ACO InChI InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 InChIKey ZSLZBFCDCINBPY-ZSJPKINUSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O CACTVS 3.341 CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 ACDLabs 10.04 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C CACTVS 3.341 CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 OpenEye OEToolkits 1.5.0 CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O Formula C23 H38 N7 O17 P3 S Name ACETYL COENZYME *A ChEMBL CHEMBL1230809 DrugBank ZINC ZINC000008551095 PDB chain 1krr Chain C Residue 206 [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 1krr Structure of the lac operon galactoside acetyltransferase. Resolution 2.5 Å Binding residue (original residue number in PDB) I104 A105 W139 S142 G159 A160 A175 R183 Binding residue (residue number reindexed from 1) I103 A104 W138 S141 G158 A159 A174 R182 Annotation score 4

Enzymatic activity Enzyme Commision number 2.3.1.18: galactoside O-acetyltransferase.

Gene Ontology Molecular Function GO:0008870 galactoside O-acetyltransferase activity GO:0016407 acetyltransferase activity GO:0016740 transferase activity GO:0016746 acyltransferase activity GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups GO:0042802 identical protein binding

	Biological Process
GO:0005989	lactose biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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