Structure of PDB 7ep0 Chain A Binding Site BS01

Receptor Information

>7ep0 Chain A (length=250) Species: 9606 (Homo sapiens)

GSTEQTAQLGTELFIVRQLLQIVKQKTNQNSVDTTLKFTLSALWNLTDES
PTTCRHFIENQGLELFMRVLESFPTESSIQQKVLGLLNNIAEVQELHSEL
MWKDFIDHISSLLHSVEVEVSYFAAGIIAHLISRGEQAWTLSRSQRNSLL
DDLHSAILKWPTPECEMVAYRSFNPFFPLLGCFTTPGVQLWAVWAMQHVC
SKNPSRYCSMLIEEGGLQHLYNIKDHEHTDPHVQQIAVAILDSLEKHIVR

Ligand information

• Ligand ID: CGO
• InChI: InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;
• InChIKey: IQFVPQOLBLOTPF-HKXUKFGYSA-L
• SMILES:
  OpenEye OEToolkits 1.7.2: c1ccc2c(c1)c(cc(c2N)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)[O-][Na+])S(=O)(=O)[O-][Na+]
  OpenEye OEToolkits 1.7.2: c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+]
  CACTVS 3.370: Nc1c(cc(c2ccccc12)[S](=O)(=O)[O-][Na+])N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](=O)(=O)[O-][Na+]
  ACDLabs 12.01: [Na+][O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c4ccc(/N=N/c3c(c2ccccc2c(c3)S(=O)(=O)[O-][Na+])N)cc4)c(N)c6c5cccc6
• Formula: C32 H22 N6 Na2 O6 S2
• Name: sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate);
  congo red
• ChEMBL: CHEMBL429694
• PDB chain: 7ep0 Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ep0 Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
• Resolution: 2.16 Å
• Binding residue (original residue number in PDB): Q486 I493 Q496 A520 N523 L524
• Binding residue (residue number reindexed from 1): Q8 I15 Q18 A42 N45 L46
• Annotation score: 1

External links

• PDB: RCSB:7ep0, PDBe:7ep0, PDBj:7ep0
• PDBsum: 7ep0
• PubMed: 34214466
• UniProt: Q9C0D3|ZY11B_HUMAN Protein zyg-11 homolog B (Gene Name=ZYG11B)