MolNFT v1 · #120449 · protein
Crystal structure of proliferating cell nuclear antigen from leishmania donovani at 2.73 ångström resolution
5H0T: “Crystal structure of proliferating cell nuclear antigen from leishmania donovani at 2.73 ångström resolution”. X-ray diffraction, 10 pockets (best druggability 0.69). MolNFT v1 #120449 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5H0T
- Type
- protein
- Length
- 1,488 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proliferating cell nuclear antigen
- UniProt
- B5TV91
- Pockets
- 10 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E, B, C, F | Proliferating cell nuclear antigen | protein | 248 | 19% helix, 46% strand | B5TV91 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 848 | 0.69 | 0.75 | 86 | empty |
| 2 | 202 | 0.64 | 0.84 | 32 | PEG |
| 3 | 381 | 0.61 | 0.77 | 37 | empty |
| 4 | 356 | 0.56 | 0.75 | 45 | empty |
| 5 | 166 | 0.43 | 0.74 | 21 | empty |
Interfaces
11 interfaces between chains.
- D–F · 657 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 653 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 649 Ų buried · 13 hydrogen bonds · protein-protein
- D–E · 643 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 629 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5H0T · Crystal structure of proliferating cell nuclear antigen from Leishmania donovani at 2.73… · 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 B5TV91
- Elsewhere: RCSB PDB 5H0T · PDBe 5H0T · UniProt B5TV91
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