Structure of PDB 3l8h Chain C Binding Site BS04

Receptor Information
>3l8h Chain C (length=179) Species: 518 (Bordetella bronchiseptica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLAT
NQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACR
KPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGR
KTLAQGGLPEGTRVCEDLAAVAEQLLQEA
Ligand information
Ligand IDFX1
InChIInChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1
InChIKeyLAWYCIPOFYQBDZ-PQLUHFTBSA-N
SMILES
SoftwareSMILES
CACTVS 3.352OC[CH]1O[C](O)(CO)[CH](O)C1=O
OpenEye OEToolkits 1.7.0C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O
CACTVS 3.352OC[C@H]1O[C@](O)(CO)[C@@H](O)C1=O
OpenEye OEToolkits 1.7.0C(C1C(=O)C(C(O1)(CO)O)O)O
FormulaC6 H10 O6
Namebeta-D-threo-hexo-2,4-diulo-2,5-furanose;
beta-D-threo-hexo-2,4-diulo-2,5-se;
D-threo-hexo-2,4-diulo-2,5-se;
threo-hexo-2,4-diulo-2,5-se
ChEMBL
DrugBank
ZINCZINC000058631711
PDB chain3l8h Chain C Residue 2006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l8h Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Resolution1.68 Å
Binding residue
(original residue number in PDB)		D15 S16 D17 F19 R129 N148
Binding residue
(residue number reindexed from 1)		D15 S16 D17 F19 R129 N148
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.82: D-glycero-beta-D-manno-heptose 1,7-bisphosphate 7-phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0034200 D-glycero-beta-D-manno-heptose 1,7-bisphosphate 7-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009244 lipopolysaccharide core region biosynthetic process
GO:0097171 ADP-L-glycero-beta-D-manno-heptose biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3l8h, PDBe:3l8h, PDBj:3l8h
PDBsum3l8h
PubMed20050614
UniProtQ7WG29|GMHBB_BORBR D-glycero-beta-D-manno-heptose-1,7-bisphosphate 7-phosphatase (Gene Name=BB4091)

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