Structure of PDB 7b91 Chain D Binding Site BS01

Receptor Information

>7b91 Chain D (length=91) Species: 9606 (Homo sapiens)

DLIFCRKQAGVAIGRLCEKCDGKCVICDSYVRPCTLVRICDECNYGSYQG
RCVICGGPGVSDAYYCKECTIQEKDRDGCPKIVNLGSSKTD

Ligand information

• Ligand ID: T2Z
• InChI: InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1
• InChIKey: SDUSVHUQNWGNCQ-MLQHUJDKSA-N
• SMILES:
  CACTVS 3.385: CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]2OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]2C
  CACTVS 3.385: CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C
  OpenEye OEToolkits 2.0.7: CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O
  OpenEye OEToolkits 2.0.7: CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O)O
• Formula: C30 H48 O9
• Name: [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
• ZINC: ZINC000070718700
• PDB chain: 7b91 Chain D Residue 1401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7b91 Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): Y36 V37
• Binding residue (residue number reindexed from 1): Y30 V31
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0000398 mRNA splicing, via spliceosome

External links

• PDB: RCSB:7b91, PDBe:7b91, PDBj:7b91
• PDBsum: 7b91
• PubMed: 34301950
• UniProt: Q7RTV0|PHF5A_HUMAN PHD finger-like domain-containing protein 5A (Gene Name=PHF5A)