Structure of PDB 1tzf Chain A Binding Site BS02

Receptor Information
>1tzf Chain A (length=251) Species: 220341 (Salmonella enterica subsp. enterica serovar Typhi str. CT18) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASKAVILAGGLGVKPKPMVEIGGKPILWHIMKMYSVHGIKDFIICCGYK
GYVIKEYFANYFLHMSDVTFHMAENRMEVHHKRVEPWNVTLVDTGDSSMT
GGRLKRVAEYVKDDEAFLFTYGDGVADLDIKATIDFHKAHGKKATLTATF
PPGRFGALDIQAGQVRSFQEKPKGDGAMINGGFFVLNPSVIDLIDNDATT
WEQEPLMTLAQQGELMAFEHPGFWQPMDTLRDKVYLEGLWEKGKAPWKTW
E
Ligand information
Ligand IDC5G
InChIInChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyCGPHZDRCVSLMCF-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
FormulaC15 H25 N3 O16 P2
Name[CYTIDINE-5'-PHOSPHATE]-BETA-GLUCOSYL-PHOSPHORIC ACID ESTER
ChEMBLCHEMBL227515
DrugBank
ZINCZINC000008216041
PDB chain1tzf Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tzf Molecular structure of alpha-D-glucose-1-phosphate cytidylyltransferase from Salmonella typhi
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L8 A9 G10 G11 P26 R111 Y129 G130 D131 N188 E210 W232
Binding residue
(residue number reindexed from 1)		L8 A9 G10 G11 P18 R103 Y121 G122 D123 N180 E202 W224
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.33: glucose-1-phosphate cytidylyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0047343 glucose-1-phosphate cytidylyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0009243 O antigen biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tzf, PDBe:1tzf, PDBj:1tzf
PDBsum1tzf
PubMed15292268
UniProtQ8Z5I4|RFBF_SALTI Glucose-1-phosphate cytidylyltransferase (Gene Name=rfbF)

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