MolNFT v1 · #84312 · protein
Apo-structure of R-selective imine reductase from streptomyces kanamyceticus
3ZGY · R-imine reductase: “Apo-structure of R-selective imine reductase from streptomyces kanamyceticus”. X-ray diffraction, 6 pockets (best druggability 0.71). MolNFT v1 #84312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZGY
- Type
- protein
- Length
- 1,125 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- R-imine reductase
- EC
- 1.5.1.-
- UniProt
- Q1EQE0
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | R-imine reductase (EC 1.5.1.-) | protein | 285 | 54% helix, 11% strand | Q1EQE0 |
| B | R-imine reductase (EC 1.5.1.-) | protein | 273 | 56% helix, 11% strand | Q1EQE0 |
| C | R-imine reductase (EC 1.5.1.-) | protein | 273 | 56% helix, 11% strand | Q1EQE0 |
| D | R-imine reductase (EC 1.5.1.-) | protein | 294 | 54% helix, 11% strand | Q1EQE0 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.71 | 0.78 | 52 | empty |
| 2 | 668 | 0.71 | 0.78 | 75 | empty |
| 3 | 589 | 0.69 | 0.78 | 57 | empty |
| 4 | 628 | 0.69 | 0.77 | 55 | empty |
| 5 | 253 | 0.57 | 0.78 | 27 | empty |
Interfaces
4 interfaces between chains.
- C–D · 3923 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 3852 Ų buried · 31 hydrogen bonds · protein-protein
- B–D · 300 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 134 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3ZGY · Apo-structure of R-selective imine reductase from Streptomyces kanamyceticus · 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 Q1EQE0
- Elsewhere: RCSB PDB 3ZGY · PDBe 3ZGY · UniProt Q1EQE0
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