Structure of PDB 1nzc Chain C Binding Site BS01

Receptor Information
>1nzc Chain C (length=194) Species: 1307 (Streptococcus suis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFFGKTLAARPVEAIPGMLEFDIPVHGDNRGWFKENFQKEKMLPLGFPES
FFAEGKLQNNVSFSRKNVLRGLHAEPWDKYISVADGGKVLGTWVDLREGE
TFGNTYQTVIDASKSIFVPRGVANGFQVLSDFVAYSYLVNDYWALELKPK
YAFVNYADPSLDIKWENLEEAEVSEADENHPFLKDVKPLRKEDL
Ligand information
Ligand IDTDX
InChIInChI=1S/C15H24N2O15P2/c1-6-3-17(15(23)16-13(6)22)10-2-7(18)9(30-10)5-29-33(24,25)32-34(26,27)31-14-12(21)11(20)8(19)4-28-14/h3,7-12,14,18-21H,2,4-5H2,1H3,(H,24,25)(H,26,27)(H,16,22,23)/t7-,8+,9+,10+,11-,12+,14+/m0/s1
InChIKeyAJUADKZRQSBUAK-KDGZBOQCSA-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)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3OC[CH](O)[CH](O)[CH]3O)O2)C(=O)NC1=O
ACDLabs 10.04O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(CO3)O)O)O)O
FormulaC15 H24 N2 O15 P2
NameTHYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE
ChEMBL
DrugBankDB03161
ZINCZINC000015634247
PDB chain1nzc Chain C Residue 9003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nzc High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R73 H76 E78 K82 Y140 W146
Binding residue
(residue number reindexed from 1)		R70 H73 E75 K79 Y137 W143
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H76 K82 Y140 D180
Catalytic site (residue number reindexed from 1) H73 K79 Y137 D177
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: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:1nzc, PDBe:1nzc, PDBj:1nzc
PDBsum1nzc
PubMed12791259
UniProtQ8GIQ0

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