Structure of PDB 8jem Chain B Binding Site BS02

Receptor Information
>8jem Chain B (length=419) Species: 264199 (Streptococcus thermophilus LMG 18311) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQGSMIDFLKQLPHLEPYGNPFYFIYLGIALLPIFIGLFFKKRFAIYECL
VSITFIVLALTGTHASQILALLFYIVWQIIWVYSYKRYRSQRDNKWVFYL
HSFLVVLPLILVKVEPTINGTQSLLNFLGISYLTFRAVGMIIEMRDGVLK
EFTLGEFLRFMLFMPTFTSGPIDRFKRFNEDYQSIPNRDELLNMLEQAVK
YIMLGFLYKFVLAQIFGSMLLPPLKAQALSQGGIFNLPTLGVMYVYGFDL
FFDFAGYSMFALAVSNLMGIKSPINFDKPFISRDMKEFWNRWHMSLSFWF
RDFVFMRLVIVLMRNKVFKNRNTTSNVAYIINMMVMGFWHGITWYYIAYG
IFHGIGLVINDAWLRKKKTINKDRKKAGLKPLPENKWTKALGIFITFNTV
MLSFLIFSGFLNDLWFTKK
Ligand information
Ligand IDASW
InChIInChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
InChIKeyXCPGHVQEEXUHNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1ccc(c(OC)c1)Nc2c4c(nc3c2cccc3)cccc4)C
CACTVS 3.370COc1cc(N[S](C)(=O)=O)ccc1Nc2c3ccccc3nc4ccccc24
OpenEye OEToolkits 1.7.6COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
FormulaC21 H19 N3 O3 S
NameN-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;
Amsacrine
ChEMBLCHEMBL43
DrugBankDB00276
ZINCZINC000003812923
PDB chain8jem Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8jem Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Resolution3.23 Å
Binding residue
(original residue number in PDB)		Y128 S165 Y242 L246 D249 F250 W285 W288 H336 Y345
Binding residue
(residue number reindexed from 1)		Y132 S169 Y246 L250 D253 F254 W289 W292 H340 Y349
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jem, PDBe:8jem, PDBj:8jem
PDBsum8jem
PubMed38649359
UniProtQ5M4V4|DLTB_STRT2 Teichoic acid D-alanyltransferase (Gene Name=dltB)

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