MolNFT v1 · #131404 · protein
Pandda analysis group deposition -- crystal structure of DCLRE1A after initial refinement with no ligand modelled (structure 64)
5Q40: “Pandda analysis group deposition -- crystal structure of DCLRE1A after initial refinement with no ligand…”. X-ray diffraction, 1 ligand (NI), 5 pockets (best druggability 0.59). MolNFT v1 #131404 on GenesisL1: 3D structure, binding…
- PDB
- 5Q40
- Type
- protein
- Length
- 341 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DCLRE1A
- UniProt
- Q6PJP8
- Ligands
- NI
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DCLRE1A | protein | 341 | 34% helix, 22% strand | Q6PJP8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.59 | 0.79 | 39 | MLI |
| 2 | 62 | 0.35 | 0.78 | 18 | empty |
| 3 | 107 | 0.34 | 0.73 | 18 | empty |
| 4 | 69 | 0.31 | 0.74 | 17 | empty |
| 5 | 56 | 0.29 | 0.74 | 13 | empty |
Compared structures
- 5Q40 · PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6PJP8 · AlphaFold monomer V2.0 prediction for DNA cross-link repair 1A protein (Q6PJP8) · a predicted model of the same protein · 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 Q6PJP8
- Elsewhere: RCSB PDB 5Q40 · PDBe 5Q40 · UniProt Q6PJP8
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