Structure of PDB 2var Chain B Binding Site BS01

Receptor Information
>2var Chain B (length=311) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDVIALGEPLIQFNSFNPGPLRFVNYFEKHVAGSELNFCIAVVRNHLSCS
LIARVGNDEFGKNIIEYSRAQGIDTSHIKVDNESFTGIYFIQRGYPIPMK
SELVYYRKGSAGSRLSPEDINENYVRNSRLVHSTGITLAISDNAKEAVIK
AFELAKSRSLDTNIRPKLWSSLEKAKETILSILKKYDIEVLITDPDDTKI
LLDVTDPDEAYRKYKELGVKVLLYKLGSKGAIAYKDNVKAFKDAYKVPVE
DPTGAGDAMAGTFVSLYLQGKDIEYSLAHGIAASTLVITVRGDNELTPTL
EDAERFLNEFK
Ligand information
Ligand IDKDG
InChIInChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
InChIKeyWPAMZTWLKIDIOP-WVZVXSGGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
ACDLabs 10.04O=C(C(=O)O)CC(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)CC(=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)C(=O)C(=O)O
FormulaC6 H10 O6
Name2-KETO-3-DEOXYGLUCONATE
ChEMBL
DrugBank
ZINCZINC000001532568
PDB chain2var Chain B Residue 1313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2var The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L11 G34 S35 Y90 Y106 R108 I137 R166 G255 D258 D294
Binding residue
(residue number reindexed from 1)		L10 G33 S34 Y89 Y105 R107 I136 R165 G254 D257 D293
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G255 A256 G257 D258
Catalytic site (residue number reindexed from 1) G254 A255 G256 D257
Enzyme Commision number 2.7.1.178: 2-dehydro-3-deoxyglucono/galactono-kinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0008671 2-dehydro-3-deoxygalactonokinase activity
GO:0008673 2-dehydro-3-deoxygluconokinase activity
GO:0016301 kinase activity
Biological Process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2var, PDBe:2var, PDBj:2var
PDBsum2var
PubMed19018105
UniProtQ97U29|KDGK_SACS2 2-dehydro-3-deoxygluconokinase/2-dehydro-3-deoxygalactonokinase (Gene Name=kdgK)

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