MolNFT v1 · #26081 · protein
Catalytic domain of muty from escherichia COLI K20A mutant complexed to adenine
1WEI · A/G-specific adenine glycosylase: “Catalytic domain of muty from escherichia COLI K20A mutant complexed to adenine”. X-ray diffraction, 2 ligands (ADE, SF4), 4 pockets (best druggability 0.69). MolNFT v1 #26081 on GenesisL1: 3D…
- PDB
- 1WEI
- Type
- protein
- Length
- 220 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A/G-specific adenine glycosylase
- EC
- 3.2.2.-
- UniProt
- P17802
- Ligands
- ADE, SF4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | A/G-specific adenine glycosylase (EC 3.2.2.-) | protein | 220 | 59% helix, 0% strand | P17802 |
Ligands and binding sites
- ADE · Adenine · ligand · chains A
- SF4 · Iron/sulfur cluster · ligand · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.69 | 0.94 | 20 | SF4 |
| 2 | 192 | 0.51 | 0.77 | 24 | ADE, EDO |
| 3 | 50 | 0.33 | 0.78 | 10 | empty |
| 4 | 54 | 0.25 | 0.73 | 14 | empty |
Compared structures
- 1WEI · Catalytic Domain Of Muty From Escherichia Coli K20A Mutant Complexed To Adenine · the same entry in another collection · chain A against A, TM-score 1.00
- P17802 · AlphaFold monomer V2.0 prediction for adenine DNA glycosylase (P17802) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P17802
- Elsewhere: RCSB PDB 1WEI · PDBe 1WEI · UniProt P17802
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