Research workbench
Crystal structure of the mercury-bound form of MERB2
Analyse Crystal structure of the mercury-bound form of MERB2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5C17
- Type
- protein
- Length
- 206 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MERB2
- UniProt
- Q7DJN2
- Ligands
- DTV, HG
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MERB2 | protein | 206 | 42% helix, 24% strand | Q7DJN2 |
Ligands and binding sites
- DTV · (2S,3S)-1,4-dimercaptobutane-2,3-diol · ligand · chains A
- HG · Mercury (II) ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.75 | 0.98 | 19 | HG, DTV |
| 2 | 93 | 0.37 | 0.75 | 14 | empty |
| 3 | 79 | 0.33 | 0.75 | 23 | GOL |
Compared structures
- 5C17 · Crystal structure of the mercury-bound form of MerB2 · 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 Q7DJN2
- Elsewhere: RCSB PDB 5C17 · PDBe 5C17 · UniProt Q7DJN2
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