Structure of PDB 4zu7 Chain A Binding Site BS01

Receptor Information
>4zu7 Chain A (length=137) Species: 1517 (Thermoanaerobacterium thermosaccharolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLYNVALIKFKDIADKRGHLTPIEGKIDIPFDIKRVYYITKVDKDITRGY
HSHKKLHQVLICLNGSVKIRLKIPDEEKIIELNDPSVGLYIGPLVWHEMF
DFTEGCVLLVLASEYYDETDYIRNYDFYIDEAKKRFL
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 chain4zu7 Chain A Residue 201 [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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PDB4zu7 Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R35 Y37 R48 G49 Y116 Y121 R123
Binding residue
(residue number reindexed from 1)		R35 Y37 R48 G49 Y116 Y121 R123
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links