MolNFT v1 · #153824 · protein
Crystal structure of a hydrogenase from trichosporon moniliiforme
6JQX · Salicylate decarboxylase: “Crystal structure of a hydrogenase from trichosporon moniliiforme”. X-ray diffraction, 2 ligands (SAL, ZN), 2 pockets (best druggability 0.39). MolNFT v1 #153824 on GenesisL1: 3D structure, binding sites…
- PDB
- 6JQX
- Type
- protein
- Length
- 703 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Salicylate decarboxylase
- EC
- 4.1.1.91
- UniProt
- P0CT50
- Ligands
- SAL, ZN
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Salicylate decarboxylase (EC 4.1.1.91) | protein | 352 | 57% helix, 12% strand | P0CT50 |
| B | Salicylate decarboxylase (EC 4.1.1.91) | protein | 351 | 57% helix, 12% strand | P0CT50 |
Ligands and binding sites
- SAL · 2-hydroxybenzoic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.39 | 0.74 | 22 | empty |
| 2 | 101 | 0.36 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3140 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 6JQX · Crystal structure of a hydrogenase from Trichosporon moniliiforme · the same entry in another collection · chain A against A, TM-score 1.00
- P0CT50 · AlphaFold monomer V2.0 prediction for salicylate decarboxylase (P0CT50) · 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 P0CT50
- Elsewhere: RCSB PDB 6JQX · PDBe 6JQX · UniProt P0CT50
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