Structure of PDB 1lvw Chain A Binding Site BS01

Receptor Information
>1lvw Chain A (length=295) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAHMKGIVLAGGSGTRLYPITRAVSKQLLPIYDKPMIYYPLSVLMLAGIR
DILIISTPRDLPLYRDLLGDGSQFGVRFSYRVQEEPRGIADAFIVGKDFI
GDSKVALVLGDNVFYGHRFSEILRRAASLEDGAVIFGYYVRDPRPFGVVE
FDSEGRVISIEEKPSRPKSNYVVPGLYFYDNQVVEIARRIEPSDRGELEI
TSVNEEYLRMGKLRVELMGRGMAWLDTGTHDGLLEASSFIETIQKRQGFY
IACLEEIAYNNGWITREDVLEMAEKLEKTDYGKYLRDLAEGNFHG
Ligand information
Ligand IDTYD
InChIInChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyUJLXYODCHAELLY-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H16 N2 O11 P2
NameTHYMIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL259724
DrugBankDB03103
ZINCZINC000008215882
PDB chain1lvw Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lvw Crystal structure of glucose-1-phosphate thymidylyltransferase, RmlA, complex with dTDP
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L6 G8 Q24 Q80 G85 L106 D108
Binding residue
(residue number reindexed from 1)		L9 G11 Q27 Q83 G88 L109 D111
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.24: glucose-1-phosphate thymidylyltransferase.
Gene Ontology
Molecular Function
GO:0008879 glucose-1-phosphate thymidylyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0045226 extracellular polysaccharide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1lvw, PDBe:1lvw, PDBj:1lvw
PDBsum1lvw
PubMed
UniProtO27819

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