MolNFT v1 · #63146 · protein
Crystal structure of merb, the organomercurial lyase involved in a bacterial mercury resistance system
3F0O · Alkylmercury lyase: “Crystal structure of merb, the organomercurial lyase involved in a bacterial mercury resistance system”. X-ray diffraction, 1 ligand (BR), 4 pockets (best druggability 0.81). MolNFT v1 #63146 on GenesisL1: 3D…
- PDB
- 3F0O
- Type
- protein
- Length
- 403 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkylmercury lyase
- EC
- 4.99.1.2
- UniProt
- P77072
- Ligands
- BR
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkylmercury lyase (EC 4.99.1.2) | protein | 208 | 40% helix, 22% strand | P77072 |
| B | Alkylmercury lyase (EC 4.99.1.2) | protein | 195 | 41% helix, 23% strand | P77072 |
Ligands and binding sites
- BR · Bromide ion · ion · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.81 | 0.84 | 84 | empty |
| 2 | 160 | 0.81 | 0.96 | 30 | empty |
| 3 | 375 | 0.71 | 0.82 | 34 | empty |
| 4 | 136 | 0.42 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1104 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3F0O · Crystal structure of MerB, the Organomercurial Lyase involved in a bacterial mercury… · the same entry in another collection · chain A against A, TM-score 1.00
- P77072 · AlphaFold monomer V2.0 prediction for alkylmercury lyase (P77072) · a predicted model of the same protein · chain B 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 P77072
- Elsewhere: RCSB PDB 3F0O · PDBe 3F0O · UniProt P77072
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