Structure of PDB 8jf2 Chain A Binding Site BS01

Receptor Information
>8jf2 Chain A (length=417) Species: 264199 (Streptococcus thermophilus LMG 18311) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMIDFLKQLPHLEPYGNPFYFIYLGIALLPIFIGLFFKKRFAIYECLVS
ITFIVLALTGTHASQILALLFYIVWQIIWVYSYKRYRSQRDNKWVFYLHS
FLVVLPLILVKVEPTINGTQSLLNFLGISYLTFRAVGMIIEMRDGVLKEF
TLGEFLRFMLFMPTFTSGPIDRFKRFNEDYQSIPNRDELLNMLEQAVKYI
MLGFLYKFVLAQIFGSMLLPPLKAQALSQGGIFNLPTLGVMYVYGFDLFF
DFAGYSMFALAVSNLMGIKSPINFDKPFISRDMKEFWNRWHMSLSFWFRD
FVFMRLVIVLMRNKVFKNRNTTSNVAYIINMMVMGFWHGITWYYIAYGIF
HGIGLVINDAWLRKKKTINKDRKKAGLKPLPENKWTKALGIFITFNTVML
SFLIFSGFLNDLWFTKK
Ligand information
Ligand IDPGT
InChIInChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1
InChIKeyKBPVYRBBONZJHF-AMAPPZPBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(CO)O
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](O)(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCCCCCCCCCCCCCC
FormulaC40 H79 O10 P
Name(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE;
PHOSPHATIDYLGLYCEROL;
1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT)
ChEMBL
DrugBank
ZINCZINC000058638415
PDB chain8jf2 Chain A Residue 601 [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]
PDB8jf2 Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Resolution3.5 Å
Binding residue
(original residue number in PDB)
Y95 I138 F334
Binding residue
(residue number reindexed from 1)
Y97 I140 F336
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
Biological Process
GO:0070395 lipoteichoic acid biosynthetic process
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component
External links
PDB RCSB:8jf2, PDBe:8jf2, PDBj:8jf2
PDBsum8jf2
PubMed38649359
UniProtQ5M4V4|DLTB_STRT2 Teichoic acid D-alanyltransferase (Gene Name=dltB)

[Back to BioLiP]