Structure of PDB 8ef9 Chain A Binding Site BS04

Receptor Information
>8ef9 Chain A (length=599) Species: 8187 (Lates calcarifer) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFSIIDVASDRRLFNTFIKEWKTKERYSLALACEKREHDSDGLVLIGLSV
CWGARDSYYISLQQVSERLGQVRSCLSRPGGVVVTYDIIQVYKTLVLSCG
ISLAGNCEDPKVACWLLDPGSEERTLPNMVTVYCPEELPLLDGLGSAHAH
CPRVRAATKSVLVHAVMNHLTGLLEKDSMLDLFRSIEMPSQVCLALLELN
GVGFSVEECERQKHVMQAKLTALESQAYNLAGHSFSLTSIDDIAQVLFLE
LHLPQFSTTKDILEKLRPLHPLPGVILEWRRITNALTKVVFPLQREKQYH
PTLAMDRIYPIAQTHTATGRVSFTEPNIQNVPKDFEICMAFSVSMRHAFV
PFSGGMILAADYSQLELRVLAHLSKDQRLLQVLNGGADVFRCIAAEWKGV
DPETVNDSLRQQAKQICYGIIYGMGAKSLGEQMGVEENDAACYIESFKAR
YKGINAFLKETVKNCIKNGYVQTLMGRRRYLPGISNTNTHIKAHAERQAV
NTTVQGSAADIVKLATVNIQKRLRKTYPTAPLSHQHTLRGAFFVLQLHDE
LIYETREEDLIQVAQIVKREMESAVKLYVKLKAKVKVGPSWGNLQDLDL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8ef9 Chain A Residue 2802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ef9 Structural basis of DNA polymerase theta mediated DNA end joining.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D2463 Y2464 D2664
Binding residue
(residue number reindexed from 1)		D361 Y362 D549
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8ef9, PDBe:8ef9, PDBj:8ef9
PDBsum8ef9
PubMed36583344
UniProtA0A4W6BKE5

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