Structure of PDB 7b92 Chain D Binding Site BS03

Receptor Information

>7b92 Chain D (length=93) Species: 9606 (Homo sapiens)

PDLIFCRKQAGVAIGRLCEKCDGKCVICDSYVRPCTLVRICDECNYGSYQ
GRCVICGGPGVSDAYYCKECTIQEKDRDGCPKIVNLGSSKTDL

Ligand information

• Ligand ID: T2W
• InChI: InChI=1S/C27H44N2O5/c1-19(8-15-23-17-27(5,32)18-26(3,4)34-23)7-10-21-11-13-22(14-12-21)29-24(30)16-9-20(2)33-25(31)28-6/h7-9,15-16,20-23,32H,10-14,17-18H2,1-6H3,(H,28,31)(H,29,30)/b15-8+,16-9-,19-7+/t20-,21-,22+,23+,27+/m0/s1
• InChIKey: WXUPGKFMAYJXHQ-PSSYVFDHSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(C=CC(=O)NC1CCC(CC1)CC=C(C)C=CC2CC(CC(O2)(C)C)(C)O)OC(=O)NC
  OpenEye OEToolkits 2.0.7: C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC
  CACTVS 3.385: CNC(=O)O[CH](C)C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]2C[C](C)(O)CC(C)(C)O2
  CACTVS 3.385: CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@H]1CC[C@H](CC1)C\C=C(C)\C=C\[C@@H]2C[C@@](C)(O)CC(C)(C)O2
• Formula: C27 H44 N2 O5
• Name: [(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
• PDB chain: 7b92 Chain D Residue 104

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7b92 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): C26 Y36
• Binding residue (residue number reindexed from 1): C21 Y31
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0000398 mRNA splicing, via spliceosome

External links

• PDB: RCSB:7b92, PDBe:7b92, PDBj:7b92
• PDBsum: 7b92
• PubMed: 34301950
• UniProt: Q7RTV0|PHF5A_HUMAN PHD finger-like domain-containing protein 5A (Gene Name=PHF5A)