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Structure of PDB 4ihh Chain C Binding Site BS04

Receptor Information >4ihh Chain C (length=337) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ASIRLADLAQQLDAELHGDGDIVITGVASMQSAQTGHITFMVNPKYREHL GLCQASAVVMTQDDLPFAKSAALVVKNPYLTYARMAQILDTTPQPAQNIA PSAVIDATAKLGNNVSIGANAVIESGVELGDNVIIGAGCFVGKNSKIGAG SRLWANVTIYHEIQIGQNCLIQSGTVVGADGFGYANDRGNWVKIPQIGRV IIGDRVEIGACTTIDRGALDDTIIGNGVIIDNQCQIAHNVVIGDNTAVAG GVIMAGSLKIGRYCMIGGASVINGHMEICDKVTVTGMGMVMRPITEPGVY SSGIPLQPNKVWRKTAALVMNIDDMSKRLKSLERKVN

Ligand information Ligand ID PNS InChI InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1 InChIKey JDMUPRLRUUMCTL-VIFPVBQESA-N SMILES Software SMILES CACTVS 3.341 CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS ACDLabs 10.04 O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O OpenEye OEToolkits 1.5.0 CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O OpenEye OEToolkits 1.5.0 CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O CACTVS 3.341 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS Formula C11 H23 N2 O7 P S Name 4'-PHOSPHOPANTETHEINE ChEMBL DrugBank DB03912 ZINC PDB chain 4ihh Chain L Residue 101 [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 4ihh Chasing acyl carrier protein through a catalytic cycle of lipid A production. Resolution 2.132 Å Binding residue (original residue number in PDB) N310 R314 Binding residue (residue number reindexed from 1) N309 R313 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) H239 N240 G257 Catalytic site (residue number reindexed from 1) H238 N239 G256 Enzyme Commision number 2.3.1.191: UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase.

Gene Ontology Molecular Function GO:0005515 protein binding GO:0016410 N-acyltransferase 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 GO:0103118 UDP-3-O-(R-3-hydroxymyristoyl)-glucosamine N-acyltransferase activity

	Biological Process
GO:0009245	lipid A biosynthetic process
GO:0046677	response to antibiotic

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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