Structure of PDB 3tep Chain A Binding Site BS02

Receptor Information
>3tep Chain A (length=372) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDL
TVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTK
GFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKK
ILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTLENLYGVDINY
YVRLNFTSFLKMIDLLGGVDVHNDQEFSALHGKFHFPVGNVHLDSEQALG
FVRERYSLADGDRDRGRNQQKVIVAILQKLTSTEALKNYSTIINSLQDSI
QTNVPLETMINLVNAQLESGGNYKVNSQDLKGTGRMDLPSYAMPDSNLYV
MEIDDSSLAVVKAAIQDVMEGR
Ligand information
Ligand IDZTP
InChIInChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19-,35-21-,36-23-,37-25-,38-27-,39-29-,40-31-
InChIKeyIKKLDISSULFFQO-DLTKSLTJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C
CACTVS 3.370CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(=O)O[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OP(=O)(OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC\C=C(/C)C)O
OpenEye OEToolkits 1.7.2CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C
CACTVS 3.370CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
FormulaC40 H68 O7 P2
Name(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
ChEMBL
DrugBank
ZINCZINC000062227954
PDB chain3tep Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB3tep A widespread family of bacterial cell wall assembly proteins.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		I228 D234 D246 V247 M251 R267 L313 N314 F315 F318 R362 R364 R374 Q378 L386 L389 Y432
Binding residue
(residue number reindexed from 1)		I119 D125 D137 V138 M142 R158 L204 N205 F206 F209 R253 R255 R265 Q269 L277 L280 Y323
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006260 DNA replication

View graph for
Biological Process
External links
PDB RCSB:3tep, PDBe:3tep, PDBj:3tep
PDBsum3tep
PubMed21964069
UniProtQ4K376

[Back to BioLiP]