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Structure of PDB 1krv Chain C Binding Site BS01

Receptor Information >1krv Chain C (length=201) 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 S

Ligand information Ligand ID 147 InChI InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1 InChIKey IFBHRQDFSNCLOZ-YBXAARCKSA-N SMILES Software SMILES CACTVS 3.341 OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O ACDLabs 10.04 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2 OpenEye OEToolkits 1.5.0 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O OpenEye OEToolkits 1.5.0 c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O CACTVS 3.341 OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O Formula C12 H15 N O8 Name 4-nitrophenyl beta-D-galactopyranoside; 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE; 4-nitrophenyl beta-D-galactoside; 4-nitrophenyl D-galactoside; 4-nitrophenyl galactoside ChEMBL CHEMBL157265 DrugBank DB02632 ZINC ZINC000003956718 PDB chain 1krv Chain A 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 1krv Structure of the lac operon galactoside acetyltransferase. Resolution 2.8 Å Binding residue (original residue number in PDB) Y83 N85 Binding residue (residue number reindexed from 1) Y82 N84 Annotation score 1

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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