Structure of PDB 3l7m Chain B Binding Site BS01

Receptor Information
>3l7m Chain B (length=411) Species: 176279 (Staphylococcus epidermidis RP62A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFKVNQFRKTLRHVKNIVLRRKNKERSLYDLTDKEDNVKPKTIVFESFGG
KNYSDSPKYIYEYMQKYYPNYRYIWSFKNPDKNVVPGSAEKVKRNSAEYY
QAYSEASHWVSNARTPLYLNKKENQTYIQTWHGTPLKRLANDMKVVRMPG
TTTPKYKRNFNRETSRWDYLISPNRYSTEIFRSAFWMDEERILEIGYPRN
DVLVNRANDQEYLDEIRTHLNLPSDKKVIMYAPTWRDDEFVSKGKYLFEL
KIDLDNLYKELGDDYVILLRMAYLISNALDLSGYENFAIDVSNYNDVSEL
FLISDCLITDYSSVMFDYGILKRPQFFFAYDIDKYDKGLRGFYMNYMEDL
PGPIYTEPYGLAKELKNLDKVQQQYQEKIDAFYDRFCSVDNGKASQYIGD
LIHKDIKEQLE
Ligand information
Ligand IDEDT
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyKCXVZYZYPLLWCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
FormulaC10 H16 N2 O8
Name{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
ChEMBLCHEMBL858
DrugBankDB00974
ZINCZINC000019364242
PDB chain3l7m Chain A Residue 738 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l7m Structure of the bacterial teichoic acid polymerase TagF provides insights into membrane association and catalysis.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		R324 K327
Binding residue
(residue number reindexed from 1)		R12 K15
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.8.12: teichoic acid poly(glycerol phosphate) polymerase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0047355 CDP-glycerol glycerophosphotransferase activity
Biological Process
GO:0019350 teichoic acid biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3l7m, PDBe:3l7m, PDBj:3l7m
PDBsum3l7m
PubMed20400947
UniProtQ5HLM5|TAGF_STAEQ Teichoic acid poly(glycerol phosphate) polymerase (Gene Name=tagF)

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