MolNFT v1 · #61953 · protein
Crystal structure of a predicted zincin-like metalloprotease (ACEL_2062) from acidothermus cellulolyticus 11B at 1.80 a resolution
3E11: “Crystal structure of a predicted zincin-like metalloprotease (ACEL_2062) from acidothermus cellulolyticus 11B…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.50). MolNFT v1 #61953 on GenesisL1: 3D structure…
- PDB
- 3E11
- Type
- protein
- Length
- 228 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted zincin-like metalloprotease
- UniProt
- A0LWM4
- Ligands
- CA
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Predicted zincin-like metalloprotease | protein | 114 | 46% helix, 16% strand | A0LWM4 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains B, A
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.50 | 0.85 | 18 | ACT |
Interfaces
1 interface between chains.
- A–B · 707 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3E11 · Crystal structure of a predicted zincin-like metalloprotease (acel_2062) from… · 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 A0LWM4
- Elsewhere: RCSB PDB 3E11 · PDBe 3E11 · UniProt A0LWM4 · AlphaFold DB A0LWM4
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