Structure of PDB 6d31 Chain A Binding Site BS01

Receptor Information

>6d31 Chain A (length=188) Species: 9606 (Homo sapiens)

MGNWATHVYVPYEAKEEFLDLLDVLLPHAQTYVPRLVRMKVFHLSLSQSV
VLRHHWILPFVQALKARMTSFHRFFFTANQVKIYTNQEKTRTFIGLEVTS
GHAQFLDLVSEVDRVMEEFNLTTFYQDPSFHLSLAWCVGDARLQLEGQCL
QELQAIVDGFEDAEVLLRVHTEQVRCKSGNKFFSMPLK

Ligand information

• Ligand ID: AMP
• InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
• SMILES:
  CACTVS 3.370: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
  CACTVS 3.370: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.7.6: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
  ACDLabs 12.01: O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  OpenEye OEToolkits 1.7.6: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
• Formula: C10 H14 N5 O7 P
• Name: ADENOSINE MONOPHOSPHATE
• ChEMBL: CHEMBL752
• DrugBank: DB00131
• ZINC: ZINC000003860156
• PDB chain: 6d31 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6d31 Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): H120 S122 Y161 T162 N163 F170 Y202 S206 H208 S210
• Binding residue (residue number reindexed from 1): H43 S45 Y84 T85 N86 F93 Y125 S129 H131 S133
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 4.6.1.-

Gene Ontology

Molecular Function

• GO:0004518 nuclease activity

Biological Process

• GO:0034477 U6 snRNA 3'-end processing

External links

• PDB: RCSB:6d31, PDBe:6d31, PDBj:6d31
• PDBsum: 6d31
• PubMed: 30215753
• UniProt: Q9BQ65|USB1_HUMAN U6 snRNA phosphodiesterase 1 (Gene Name=USB1)