Structure of PDB 7tc2 Chain D Binding Site BS01

Receptor Information

>7tc2 Chain D (length=276) Species: 9606 (Homo sapiens)

GPALYEDPPDQKTSPSGKPATLKICSWNVDGLRAWIKKKGLDWVKEEAPD
ILCLQETKCSENKLPAELQELPGLSHQYWSAPSEGYSGVGLLSRQCPLKV
SYGIGDEEHDQEGRVIVAEFDSFVLVTAYVPNAGRGLVRLEYRQRWDEAF
RKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGFGE
LLQAVPLADSFRHLYPNTPYAYTFWTYMMNARSKNVGWRLDYFLLSHSLL
PALCDSKIRSKALGSDHCPITLYLAL

Ligand information

• Ligand ID: GID
• InChI: InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)
• InChIKey: LHFOJSCXLFKDIR-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O
  OpenEye OEToolkits 2.0.7: c1cc2c(cc1N(=O)=O)cc([nH]2)C(=O)O
  CACTVS 3.385: OC(=O)c1[nH]c2ccc(cc2c1)[N](=O)=O
• Formula: C9 H6 N2 O4
• Name: 5-nitro-1H-indole-2-carboxylic acid
• ZINC: ZINC000001495011
• PDB chain: 7tc2 Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tc2 Characterizing inhibitors of human AP endonuclease 1.
• Resolution: 1.43 Å
• Binding residue (original residue number in PDB): L62 D90 R136 Q137 F162 S164 L318
• Binding residue (residue number reindexed from 1): L22 D50 R94 Q95 F120 S122 L276
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.11.2: exodeoxyribonuclease III.
  3.1.21.-

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003824 catalytic activity
• GO:0004518 nuclease activity
• GO:0004519 endonuclease activity

Biological Process

• GO:0006281 DNA repair

External links

• PDB: RCSB:7tc2, PDBe:7tc2, PDBj:7tc2
• PDBsum: 7tc2
• PubMed: 36652434
• UniProt: P27695|APEX1_HUMAN DNA repair nuclease/redox regulator APEX1 (Gene Name=APEX1)