Structure of PDB 4ecs Chain A Binding Site BS05

Receptor Information

>4ecs Chain A (length=430) Species: 9606 (Homo sapiens)

GPHMATGQDRVVALVDMDCFFVQVEQRQNPHLRNKPCAVVQYKSWKGGGI
IAVSYEARAFGVTRSMWADDAKKLCPDLLLAQVRESRGKANLTKYREASV
EVMEIMSRFAVIERASIDEAYVDLTSAVQERLQKLQGQPISADLLPSTYI
EGLPQGPTVQKEGMRKQGLFQWLDSLQIDNLTSPDLQLTVGAVIVEEMRA
AIERETGFQCSAGISHNKVLAKLACGLNKPNRQTLVSHGSVPQLFSQMPI
RKIRSLGGKLGASVIEILGIEYMGELTQFTESQLQSHFGEKNGSWLYAMC
RGIEHDPVKPRQLPKTIGCSKNFPGKTALATREQVQWWLLQLAQELEERL
TKDRNDNDRVATQLVVSIRVQGDKRLSSLRRCCALTRYDAHKMSHDAFTV
IKNCNTSGIQTEWSPPLTMLFLCATKFSAS

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: 4ecs Chain A Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ecs Watching DNA polymerase eta make a phosphodiester bond
• Resolution: 1.951 Å
• Binding residue (original residue number in PDB): D13 M14 D115
• Binding residue (residue number reindexed from 1): D16 M17 D118
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D13 M14 Y52 R55 R61 S113 D115 E116 K231
• Catalytic site (residue number reindexed from 1): D16 M17 Y55 R58 R64 S116 D118 E119 K229
• Enzyme Commision number: 2.7.7.7: DNA-directed DNA polymerase.

Gene Ontology

Molecular Function

• GO:0003684 damaged DNA binding

Biological Process

• GO:0006281 DNA repair

External links

• PDB: RCSB:4ecs, PDBe:4ecs, PDBj:4ecs
• PDBsum: 4ecs
• PubMed: 22785315
• UniProt: Q9Y253|POLH_HUMAN DNA polymerase eta (Gene Name=POLH)