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Anaerobic crystal structure analysis of the 1,2-dihydroxynaphthalene dioxygeanse of pseudomonas sp. strain C18 complexes to 1,2- dihydroxynaphthalene
Analyse Anaerobic crystal structure analysis of the 1,2-dihydroxynaphthalene… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EI1
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1,2-dihydroxynaphthalene dioxygenase
- EC
- 1.13.11.-
- UniProt
- P0A108
- Ligands
- D1N, FE2, MG
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1,2-dihydroxynaphthalene dioxygenase (EC 1.13.11.-) | protein | 293 | 20% helix, 38% strand | P0A108 |
Ligands and binding sites
- D1N · Naphthalene-1,2-diol · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
- MG · Magnesium 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.69 | 0.97 | 18 | D1N |
| 2 | 79 | 0.43 | 0.80 | 23 | empty |
Compared structures
- 2EI1 · Anaerobic Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygeanse of… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A108 · AlphaFold monomer V2.0 prediction for 1,2-dihydroxynaphthalene dioxygenase (P0A108) · a predicted model of the same protein · 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 P0A108
- Elsewhere: RCSB PDB 2EI1 · PDBe 2EI1 · UniProt P0A108
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