Structure of PDB 4g2t Chain A Binding Site BS01

Receptor Information
>4g2t Chain A (length=356) Species: 746675 (Streptomyces sp. SF2575) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRILVIAGCSEGFVMPLVPLSWALRAAGHEVLVAASENMGPTVTGAGLP
FAPTCPSLDMPEVLSWDREGNRTTMPREEKPLLEHIGRGYGRLVLRMRDE
ALALAERWKPDLVLTETYSLTGPLVAATLGIPWIEQSIRLASPELIKSAG
VGELAPELAELGLTDFPDPLLSIDVCPPSMEAGTTKMRYVPYNGRNDQVP
SWVFEERKQPRLCLTFGTRVPLLLQALSQELPKLGFEVVVAVSDKLAPEG
VLAAGQFPLSAIMPACDVVVHHGGHGTTLTCLSEGVPQVSVPVIAEVWDS
ARLLHAAGAGVEVPSVLAACARIRDDSSYVGNARRLAAEMATLPTPADIV
RLIEQA
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 chain4g2t Chain A Residue 401 [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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PDB4g2t Crystal structure of SsfS6, the putative C-glycosyltransferase involved in SF2575 biosynthesis.
Resolution2.405 Å
Binding residue
(original residue number in PDB)		M15 N196 G220 T221 R222 A255 V256 Q276 F277 P278 L279 H292 G294 G296 T297
Binding residue
(residue number reindexed from 1)		M16 N193 G217 T218 R219 A241 V242 Q256 F257 P258 L259 H272 G274 G276 T277
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4g2t, PDBe:4g2t, PDBj:4g2t
PDBsum4g2t
PubMed23526584
UniProtD6MSX4

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