Structure of PDB 1g23 Chain F Binding Site BS01

Receptor Information
>1g23 Chain F (length=292) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREI
LIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGN
DLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFD
QGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITD
VNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVA
CPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTETVY
Ligand information
Ligand IDG1P
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyHXXFSFRBOHSIMQ-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
FormulaC6 H13 O9 P
Name1-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-glucose;
1-O-phosphono-D-glucose;
1-O-phosphono-glucose
ChEMBL
DrugBankDB02843
ZINCZINC000004073375
PDB chain1g23 Chain F Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1g23 The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L88 Y145 E161 K162
Binding residue
(residue number reindexed from 1)		L87 Y144 E160 K161
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.24: glucose-1-phosphate thymidylyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008879 glucose-1-phosphate thymidylyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0009244 lipopolysaccharide core region biosynthetic process
GO:0019305 dTDP-rhamnose biosynthetic process
GO:0045226 extracellular polysaccharide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1g23, PDBe:1g23, PDBj:1g23
PDBsum1g23
PubMed11118200
UniProtQ9HU22

[Back to BioLiP]