Structure of PDB 3zqs Chain A Binding Site BS01

Receptor Information

>3zqs Chain A (length=186) Species: 9606 (Homo sapiens)

QFYSSLIEEIGTLGWDKLVYADTCFSTIKLKAEDASGREHLITLKLKAKY
PAESPDYFVDFPVPFCASWTPQSSLISIYSQFLAAIESLKAFWDVMDEID
EKTWVLEPEKPPRSATARRIALGNNVSINIEVDPRHPTMLPECFFLGADH
VVKPLGIKLSRNIHLWDPENSVLQNLKDVLEIDFPA

Ligand information

• Ligand ID: PRO
• InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
• InChIKey: ONIBWKKTOPOVIA-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C[C@H](NC1)C(=O)O
  CACTVS 3.341: OC(=O)[C@@H]1CCCN1
  CACTVS 3.341: OC(=O)[CH]1CCCN1
  OpenEye OEToolkits 1.5.0: C1CC(NC1)C(=O)O
  ACDLabs 10.04: O=C(O)C1NCCC1
• Formula: C5 H9 N O2
• Name: PROLINE
• ChEMBL: CHEMBL54922
• DrugBank: DB00172
• ZINC: ZINC000000895360
• PDB chain: 3zqs Chain A Residue 1302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zqs Structural Analysis of Human Fancl, the E3 Ligase in the Fanconi Anemia Pathway.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): S222 T224
• Binding residue (residue number reindexed from 1): S114 T116
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.3.2.27: RING-type E3 ubiquitin transferase.

Gene Ontology

Molecular Function

• GO:0004842 ubiquitin-protein transferase activity

Biological Process

• GO:0036297 interstrand cross-link repair

Cellular Component

• GO:0043240 Fanconi anaemia nuclear complex

External links

• PDB: RCSB:3zqs, PDBe:3zqs, PDBj:3zqs
• PDBsum: 3zqs
• PubMed: 21775430
• UniProt: Q9NW38|FANCL_HUMAN E3 ubiquitin-protein ligase FANCL (Gene Name=FANCL)