MolNFT v2 · #220484 · protein
Crystal structure of human CPSF73 catalytic segment in complex with compound 2
8T1R · Cleavage and polyadenylation specificity factor subunit 3: “Crystal structure of human CPSF73 catalytic segment in complex with compound 2”. X-ray diffraction at 2.2, 4 ligands (XZC, FE, CL), 2 pockets (best druggability 0.81).…
- PDB
- 8T1R
- Type
- protein
- Length
- 426 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Homo sapiens
- Molecule
- Cleavage and polyadenylation specificity factor subunit 3
- EC
- 3.1.27.-
- UniProt
- Q9UKF6
- Ligands
- XZC, FE, CL, SO4
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · resolution 2.2 · 1 distinct chain · 28% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cleavage and polyadenylation specificity factor subunit 3 (EC 3.1.27.-) | protein | 426 | 28% helix, 24% strand | Q9UKF6 |
Ligands and binding sites
- XZC · 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide · ligand · chains A
- FE · Fe (III) ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 595 | 0.81 | 0.86 | 71 | XZC |
| 2 | 172 | 0.45 | 0.75 | 19 | empty |
Compared structures
- Q9UKF6 · AlphaFold monomer V2.0 prediction for cleavage and polyadenylation specificity factor… · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9UKF6
- Elsewhere: RCSB PDB 8T1R · PDBe 8T1R · UniProt Q9UKF6
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