Structure of PDB 1lvw Chain A Binding Site BS02

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 3002 [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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PDB1lvw Crystal structure of glucose-1-phosphate thymidylyltransferase, RmlA, complex with dTDP
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y112 G113 H114 R115 F116 S117 I248 I254
Binding residue
(residue number reindexed from 1)		Y115 G116 H117 R118 F119 S120 I251 I257
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
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Biological Process
External links
PDB RCSB:1lvw, PDBe:1lvw, PDBj:1lvw
PDBsum1lvw
PubMed
UniProtO27819

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