MolNFT v1 · #116915 · protein
Crystal structure of the mercury-bound form of merb mutant D99S
5DSF · Alkylmercury lyase: “Crystal structure of the mercury-bound form of merb mutant D99S”. X-ray diffraction, 2 ligands (HG, BR), 4 pockets (best druggability 0.82). MolNFT v1 #116915 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5DSF
- Type
- protein
- Length
- 416 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, BR
- Pockets
- 4 · best druggability 0.82
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 | 208 | 40% helix, 22% strand | P77072 |
Ligands and binding sites
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 | 203 | 0.82 | 0.96 | 31 | HG |
| 2 | 1037 | 0.81 | 0.82 | 90 | empty |
| 3 | 127 | 0.79 | 0.96 | 26 | HG |
| 4 | 118 | 0.41 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1037 Ų buried · 12 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 5DSF · PDBe 5DSF · UniProt P77072
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