Structure of PDB 4n5s Chain A Binding Site BS03

Receptor Information

>4n5s Chain A (length=542) Species: 271 (Thermus aquaticus)

SPKALEEAPWPPPEGAFVGFVLSRKEPMWADLLALAAARGGRVHRAPEPY
KALRDLKEARGLLAKDLSVLALREGLGLPPGDDPMLLAYLLDPSNTTPEG
VARRYGGEWTEEAGERAALSERLFANLWGRLEGEERLLWLYREVERPLSA
VLAHMEATGVRLDVAYLRALSLEVAEEIARLEAEVFRLAGHPFNLNSRDQ
LERVLFDELGLPAIGKTEKTGKRSTSAAVLEALREAHPIVEKILQYRELT
KLKSTYIDPLPDLIHPRTGRLHTRFNQTATATGRLSSSDPNLQNIPVRTP
LGQRIRRAFIAEEGWLLVALDYSQIELRVLAHLSGDENLIRVFQEGRDIH
TETASWMFGVPREAVDPLMRRAAKTINFGVLYGMSAHRLSQELAIPYEEA
QAFIERYFQSFPKVRAWLEKTLEEGRRRGYVETLFGRRRYVPDLEARVKS
VREAAERMAFNMPVQGTAADLMKLAMVKLFPRLEEMGARMLLQVHDELVL
EAPKERAEAVARLAKEVMEGVYPLAVPLEVEVGIGEDWLSAK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4n5s Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4n5s A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
• Resolution: 1.67 Å
• Binding residue (original residue number in PDB): D610 D785
• Binding residue (residue number reindexed from 1): D321 D496
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.7: DNA-directed DNA polymerase.

Gene Ontology

Molecular Function

• GO:0001882 nucleoside binding
• GO:0003676 nucleic acid binding
• GO:0003677 DNA binding
• GO:0003887 DNA-directed DNA polymerase activity

Biological Process

• GO:0006260 DNA replication
• GO:0006261 DNA-templated DNA replication
• GO:0006281 DNA repair

External links

• PDB: RCSB:4n5s, PDBe:4n5s, PDBj:4n5s
• PDBsum: 4n5s
• PubMed: 25537790
• UniProt: P19821|DPO1_THEAQ DNA polymerase I, thermostable (Gene Name=polA)