Structure of PDB 1dzt Chain A Binding Site BS01

Receptor Information
>1dzt Chain A (length=183) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMIVIKTAIPDVLILEPKVFGDERGFFFESYNQQTFEELIGRKVTFVQDN
HSKSKKNVLRGLHFQRGENAQGKLVRCAVGEVFDVAVDIRKESPTFGQWV
GVNLSAENKRQLWIPEGFAHGFVTLSEYAEFLYKATNYYSPSSEGSILWN
DEAIGIEWPFSQLPELSAKDAAAPLLDQALLTE
Ligand information
Ligand IDTPE
InChIInChI=1S/C18H22N2O12P2/c1-11-9-20(18(23)19-17(11)22)16-8-14(29-12(2)21)15(30-16)10-28-33(24,25)32-34(26,27)31-13-6-4-3-5-7-13/h3-7,9,14-16H,8,10H2,1-2H3,(H,24,25)(H,26,27)(H,19,22,23)/t14-,15+,16+/m0/s1
InChIKeyFBXZTUIVKSOQAY-ARFHVFGLSA-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)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C
CACTVS 3.341CC(=O)O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)Oc2ccccc2)N3C=C(C)C(=O)NC3=O
CACTVS 3.341CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@](O)(=O)Oc2ccccc2)N3C=C(C)C(=O)NC3=O
ACDLabs 10.04O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3OC(=O)C
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)Oc3ccccc3)OC(=O)C
FormulaC18 H22 N2 O12 P2
Name3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER)
ChEMBL
DrugBank
ZINCZINC000058655548
PDB chain1dzt Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dzt Rmlc, the Third Enzyme of Dtdp-L-Rhamnose Pathway, is a New Class of Epimerase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Q48 R60 Y139 S167
Binding residue
(residue number reindexed from 1)		Q48 R60 Y139 S167
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H63 K73 Y133 D170
Catalytic site (residue number reindexed from 1) H63 K73 Y133 D170
Enzyme Commision number 5.1.3.13: dTDP-4-dehydrorhamnose 3,5-epimerase.
Gene Ontology
Molecular Function
GO:0008830 dTDP-4-dehydrorhamnose 3,5-epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0009243 O antigen biosynthetic process
GO:0019305 dTDP-rhamnose biosynthetic process
GO:0045226 extracellular polysaccharide biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1dzt, PDBe:1dzt, PDBj:1dzt
PDBsum1dzt
PubMed10802738
UniProtP26394|RMLC_SALTY dTDP-4-dehydrorhamnose 3,5-epimerase (Gene Name=rfbC)

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