Structure of PDB 6vjc Chain B Binding Site BS04
Receptor Information
>6vjc Chain B (length=362) Species:
5664
(Leishmania major) [
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MAHMERFQKVYEEVQEFLLGDAEKRFEMDVHRKGYLKSMMDTTCLGGKYN
RGLCVVDVAEAMAKDTQMDAAAMERVLHDACVCGWMIEMLQAHFLVEDDI
MDHSKTRRGKPCWYLHPGVTAQVAINDGLILLAWATQMALHYFADRPFLA
EVLRVFHDVDLTTYIGQLYDVTSMVDSAKLDAKVAHANTTDYVEYTPFNH
RRIVVYKTAYYTYWLPLVMGLLVSGTLEKVDKKATHKVAMVMGEYFQVQD
DVMDCFTPPEKLGKIGTDIEDAKCSWLAVTFLTTAPAEKVAEFKANYGST
DPAAVAVIKQLYTEQNLLARFEEYEKAVVAEVEQLIAALEAQNAAFAASV
KVLWSKTYKRQK
Ligand information
Ligand ID
476
InChI
InChI=1S/C11H19NO6P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(19(13,14)15)20(16,17)18/h4,6-8,11H,2-3,5,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1
InChIKey
QVWIHYAQHVVJSB-UHFFFAOYSA-O
SMILES
Software
SMILES
CACTVS 3.370
CCCCc1ccc[n+](CC([P](O)(O)=O)[P](O)(O)=O)c1
OpenEye OEToolkits 1.7.6
CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O
ACDLabs 12.01
O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(c1)CCCC
Formula
C11 H20 N O6 P2
Name
3-butyl-1-(2,2-diphosphonoethyl)pyridinium
ChEMBL
DrugBank
ZINC
ZINC000035049963
PDB chain
6vjc Chain B Residue 405 [
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Receptor-Ligand Complex Structure
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PDB
6vjc
Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
F94 D98 R107 Q167 K207 D250 K264
Binding residue
(residue number reindexed from 1)
F94 D98 R107 Q167 K207 D250 K264
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
K48 H93 D98 D102 R107 D170 K207 F246 D250 D251
Catalytic site (residue number reindexed from 1)
K48 H93 D98 D102 R107 D170 K207 F246 D250 D251
Enzyme Commision number
2.5.1.1
: dimethylallyltranstransferase.
2.5.1.10
: (2E,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004161
dimethylallyltranstransferase activity
GO:0004337
geranyltranstransferase activity
GO:0004659
prenyltransferase activity
GO:0016740
transferase activity
GO:0016765
transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872
metal ion binding
Biological Process
GO:0008299
isoprenoid biosynthetic process
GO:0045337
farnesyl diphosphate biosynthetic process
Cellular Component
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6vjc
,
PDBe:6vjc
,
PDBj:6vjc
PDBsum
6vjc
PubMed
32584028
UniProt
Q4QBL1
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