Structure of PDB 3gde Chain A Binding Site BS01

Receptor Information
>3gde Chain A (length=551) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMLFAEFAEFCERLEKISSTLELTARIAAFLQKIEDERDLYDVVLFIT
GKVYPPWDERELGVGIGLLYEALENVSGVKRSEIESMIREYGDLGLVAEQ
LIKKKKMTTLAFEELTVRKVRETFDEIASLTGEGSMKRKIMLLTGLYGLA
TPLEARYLTRLILNEMRLGVGEGIMRDAIARAFRADPETVERAYMITNDL
GRVAVVAKKEGEEGLRKMKIEIHIPVRMMLAQVAESLESAVREMRTAAVE
WKFDGSRVQVHWDGSRVTIYSRRLENVTNALPDIVEEIKKSVKPGVILDG
EVIAVKEGKPMPFQHVLRRFRRDVAKMVEKIPLEAHFFDILYHDGECIDL
PLRERRKLLESAVNESEKIKLAKQIVTDSVDEVRKMYDEAISAGHEGVMI
KLPSSPYIPGKRGKNWLKVKAIMETLDLVVVGGEWGEGKRSHWLSSFELA
CLDPVTGKLLKVGRVATGFTEEDLEELTEMFRPLIVSQQGKKVEFIPKYV
FEVAYQEIQKSPKYESGYALRFPRFVRLRDDKDVDEADTIERVENLYKLQ
F
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3gde Chain A Residue 556 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gde ATP-dependent DNA ligase from Archaeoglobus fulgidus displays a tightly closed conformation
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R269 R411 K417
Binding residue
(residue number reindexed from 1)		R272 R412 K418
Annotation score3
Enzymatic activity
Enzyme Commision number 6.5.1.1: DNA ligase (ATP).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003909 DNA ligase activity
GO:0003910 DNA ligase (ATP) activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0006266 DNA ligation
GO:0006273 lagging strand elongation
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0051301 cell division
GO:0071897 DNA biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3gde, PDBe:3gde, PDBj:3gde
PDBsum3gde
PubMed19478428
UniProtO29632|DNLI_ARCFU DNA ligase (Gene Name=lig)

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