MolNFT v1 · #63890 · protein
Crystal structure of merb complexed with mercury
3FN8 · Alkylmercury lyase: “Crystal structure of merb complexed with mercury”. X-ray diffraction, 1 ligand (HG), 4 pockets (best druggability 0.81). MolNFT v1 #63890 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FN8
- Type
- protein
- Length
- 418 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
- HG
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alkylmercury lyase (EC 4.99.1.2) | protein | 209 | 40% helix, 22% strand | P77072 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
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 | 1075 | 0.81 | 0.82 | 88 | empty |
| 2 | 189 | 0.80 | 0.94 | 34 | GOL |
| 3 | 177 | 0.79 | 0.94 | 35 | GOL |
| 4 | 114 | 0.41 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 995 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
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 3FN8 · PDBe 3FN8 · UniProt P77072
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