Structure of PDB 8j8k Chain B Binding Site BS01

Receptor Information
>8j8k Chain B (length=285) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKAIRPRQWVKNVLVLAAPLAALGGGVRYDYVEVLSKVSMAFVVFSLAAS
AVYLVNDVRDVAAAAAAAAAAAAAAAAGVVPEWLAYTVAVVLGVTSLAGA
WMLTPNLALVMVVYLAMQLAYCFGLKHQAVVEICVVSSAYLIRAIAGGVA
TKIPLSKWFLLIMAFGSLFMVAGKRYAELHLAERTGAAIRKSLESYTSTY
LRFVWTLSATAVVLCYGLWAFERDGYSGSWFAVSMIPFTIAILRYAVDVD
GGLAGEPEDIALRDRVLQLLALAWIATVGAAVAFG
Ligand information
Ligand IDDSL
InChIInChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-
InChIKeyXBEJBEIXLWRYBT-DJNGBRKISA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(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/CC\C(C)=C/CC\C(C)=C/CO[P](O)(O)=O
OpenEye OEToolkits 1.6.1CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
CACTVS 3.352CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O
OpenEye OEToolkits 1.6.1CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C)C)C
FormulaC50 H83 O4 P
NameMONO-TRANS, OCTA-CIS DECAPRENYL-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000062237514
PDB chain8j8k Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j8k Structure and mechanism of a membrane-bound phosphoribosyltransferase central to Mtb cell wall biosynthesis
Resolution3.36 Å
Binding residue
(original residue number in PDB)		Y157 M187 K191
Binding residue
(residue number reindexed from 1)		Y140 M170 K174
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.45: decaprenyl-phosphate phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
GO:0052636 arabinosyltransferase activity
Biological Process
GO:0009247 glycolipid biosynthetic process
GO:0045227 capsule polysaccharide biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8j8k, PDBe:8j8k, PDBj:8j8k
PDBsum8j8k
PubMed38491273
UniProtP9WFR5|DPPRS_MYCTU Decaprenyl-phosphate phosphoribosyltransferase (Gene Name=Rv3806c)

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