Structure of PDB 6ime Chain B Binding Site BS01

Receptor Information
>6ime 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]
NFPQLPPAPDDYPTFPDTSTWPVVFPELPAAPYGGPCRPPQHTSKAAAPR
IPADRLPNHVAIVMDGNGRWATQRGLARTEGHKMGEAVVIDIACGAIELG
IKWLSLYAFSTENWKRSPEEVRFLMGFNRDVVRRRRDTLKKLGVRIRWVG
SRPRLWRSVINELAVAEEMTKSNDVITINYCVNYGGRTEITEATREIARE
VAAGRLNPERITESTIARHLQRPDIPDVDLFLRTSGEQRSSNFMLWQAAY
AEYIFQDKLWPDYDRRDLWAACEEYASRTRRFGSA
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain6ime Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ime Substrate-analogue complex structure of Mycobacterium tuberculosis decaprenyl diphosphate synthase.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		W125 R165
Binding residue
(residue number reindexed from 1)		W114 R154
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.86: trans,polycis-decaprenyl diphosphate synthase.
2.5.1.87: ditrans,polycis-polyprenyl diphosphate synthase [(2E,6E)-farnesyl diphosphate specific].
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004659 prenyltransferase activity
GO:0008834 di-trans,poly-cis-undecaprenyl-diphosphate synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0030145 manganese ion binding
GO:0033850 Z-farnesyl diphosphate synthase activity
GO:0045547 dehydrodolichyl diphosphate synthase activity
GO:0046872 metal ion binding
GO:0052923 all-trans-nonaprenyl-diphosphate synthase (geranyl-diphosphate specific) activity
Biological Process
GO:0016094 polyprenol biosynthetic process
Cellular Component
GO:0005829 cytosol
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:6ime, PDBe:6ime, PDBj:6ime
PDBsum6ime
PubMed30950820
UniProtP9WFF7|DPDS_MYCTU Decaprenyl diphosphate synthase (Gene Name=uppS)

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