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Structure of PDB 4ac3 Chain A

Receptor sequence >4ac3A (length=456) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] SNFAIILAAGKGTRMKSDLPKVLHKVAGISMLEHVFRSVGAIQPEKTVTV VGHKAELVEEVLAEQTEFVTQSEQLGTGHAVMMTEPILEGLSGHTLVIAG DTPLITGESLKNLIDFHINHKNVATILTAETDNPFGYGRIVRNDNAEVLR IVEQKDATDFEKQIKEINTGTYVFDNERLFEALKNINTNNGEYYITDVIG IFRETGEKVGAYTLKDFDESLGVNDRVALATAESVMRRRINHKHMVNGVS FVNPEATYIDIDVEIAPEVQIEANVILKGQTKIGAETVLTNGTYVVDSTI GAGAVITNSMIEESSVADGVTVGPYAHIRPNSSLGAQVHIGNFVEVKGSS IGENTKAGHLTYIGNCEVGSNVNFGAGTITVNYDGKNKYKTVIGDNVFVG SNSTIIAPVELGDNSLVGAGSTITKDVPADAIAIGRGRQINKDEYATRLP HHPKNQ

3D structure PDB 4ac3 Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Chain A Resolution 2.1 Å 3D structure Catalytic site residues are labeled in the structure [Spin on] [Spin off] [Reset orientation] [High quality] [Low quality] [White background] [Black background] [Download] [Download structure with residue number starting from 1]

Enzymatic activity Catalytic site (original residue number in PDB) R15 Catalytic site (residue number reindexed from 1) R14 Enzyme Commision number 2.3.1.157: glucosamine-1-phosphate N-acetyltransferase. 2.7.7.23: UDP-N-acetylglucosamine diphosphorylase.

Interaction with ligand Site # Ligand Ligand chain Binding residues on receptor (original residue number in PDB) Binding residues on receptor (residue number reindexed from 1) Binding affinity BS01 R83 A V384 Y386 D387 I409 V381 Y383 D384 I406 MOAD: ic50=110uM PDBbind-CN: -logKd/Ki=3.96,IC50=110uM

Gene Ontology Molecular Function GO:0000287 magnesium ion binding GO:0003977 UDP-N-acetylglucosamine diphosphorylase activity GO:0016740 transferase activity GO:0016746 acyltransferase activity GO:0016779 nucleotidyltransferase activity GO:0019134 glucosamine-1-phosphate N-acetyltransferase activity GO:0046872 metal ion binding

	Biological Process
GO:0000902	cell morphogenesis
GO:0006048	UDP-N-acetylglucosamine biosynthetic process
GO:0008360	regulation of cell shape
GO:0009058	biosynthetic process
GO:0009245	lipid A biosynthetic process
GO:0009252	peptidoglycan biosynthetic process
GO:0071555	cell wall organization

	Cellular Component
GO:0005737	cytoplasm

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