Structure of PDB 1v1a Chain A Binding Site BS01

Receptor Information
>1v1a Chain A (length=301) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEVVTAGEPLVALVPQEPGHLRGKRLLEVYVGGAEVNVAVALARLGVKV
GFVGRVGEDELGAMVEERLRAEGVDLTHFRRAPGFTGLYLREYLPLGQGR
VFYYRKGSAGSALAPGAFDPDYLEGVRFLHLSGITPALSPEARAFSLWAM
EEAKRRGVRVSLDVNYRQTLWSPEEARGFLERALPGVDLLFLSEEEAELL
FGRVEEALRALSAPEVVLKRGAKGAWAFVDGRRVEGSAFAVEAVDPVGAG
DAFAAGYLAGAVWGLPVEERLRLANLLGASVAASRGDHEGAPYREDLEVL
L
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 chain1v1a Chain A Residue 1302 [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]
PDB1v1a Structure of Thermus thermophilus 2-Keto-3-deoxygluconate kinase: evidence for recognition of an open chain substrate.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L11 G34 A35 N38 Y89 R105 R167 G248 D251 D287
Binding residue
(residue number reindexed from 1)		L11 G34 A35 N38 Y89 R105 R167 G248 D251 D287
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G248 A249 G250 D251
Catalytic site (residue number reindexed from 1) G248 A249 G250 D251
Enzyme Commision number 2.7.1.45: 2-dehydro-3-deoxygluconokinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0008673 2-dehydro-3-deoxygluconokinase activity
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1v1a, PDBe:1v1a, PDBj:1v1a
PDBsum1v1a
PubMed15210349
UniProtQ53W83|KDGK_THET8 2-dehydro-3-deoxygluconokinase (Gene Name=kdgK)

[Back to BioLiP]