MolNFT v1 · #161148 · protein
Crystal structure of cryptosporidium hominis CPSF3 in complex with compound 61
6Q55 · Cleavage and polyadenylation specificity factor 3 (CPSF3): “Crystal structure of cryptosporidium hominis CPSF3 in complex with compound 61”. X-ray diffraction, 3 ligands (HJB, ZN, MG), 3 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 6Q55
- Type
- protein
- Length
- 461 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cleavage and polyadenylation specificity factor 3 (CPSF3)
- UniProt
- A0A0S4TJL4
- Ligands
- HJB, ZN, MG
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cleavage and polyadenylation specificity factor 3 (CPSF3) | protein | 461 | 32% helix, 22% strand | A0A0S4TJL4 |
Ligands and binding sites
- HJB · 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- IPA · Isopropyl alcohol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.84 | 0.96 | 45 | HJB, MG |
| 2 | 120 | 0.44 | 0.77 | 25 | empty |
| 3 | 50 | 0.32 | 0.77 | 12 | empty |
Compared structures
- 6Q55 · Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61 · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A0S4TJL4
- Elsewhere: RCSB PDB 6Q55 · PDBe 6Q55 · UniProt A0A0S4TJL4
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