Structure of PDB 1kq3 Chain A Binding Site BS01

Receptor Information
>1kq3 Chain A (length=364) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMITTTIFPGRYVQGAGAINILEEELSRFGERAFVVIDDFVDKNVLGENF
FSSFTKVRVNKQIFGGECSDEEIERLSGLVEEETDVVVGIGGGKTLDTAK
AVAYKLKKPVVIVPTIASTDAPCSALSVIYTPNGEFKRYLFLPRNPDVVL
VDTEIVAKAPARFLVAGMGDALATWFEAESCKQKYAPNMTGRLGSMTAYA
LARLCYETLLEYGVLAKRSVEEKSVTPALEKIVEANTLLSGLGFESGGLA
AAHAIHNGLTVLENTHKYLHGEKVAIGVLASLFLTDKPRKMIEEVYSFCE
EVGLPTTLAEIGLDGVSDEDLMKVAEKACDKNETIHNEPQPVTSKDVFFA
LKAADRYGRMRKNL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1kq3 Chain A Residue 401 [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]
PDB1kq3 Structural genomics of the Thermotoga maritima proteome implemented in a high-throughput structure determination pipeline
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D169 H252 H269
Binding residue
(residue number reindexed from 1)		D170 H253 H270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D169 H252 H255 H269
Catalytic site (residue number reindexed from 1) D170 H253 H256 H270
Enzyme Commision number 1.1.1.6: glycerol dehydrogenase.
Gene Ontology
Molecular Function
GO:0008888 glycerol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0019588 anaerobic glycerol catabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1kq3, PDBe:1kq3, PDBj:1kq3
PDBsum1kq3
PubMed12193646
UniProtQ9WYQ4|GLDA_THEMA Glycerol dehydrogenase (Gene Name=gldA)

[Back to BioLiP]