Research workbench
Imine reductase from myxococcus stipitatus in complex with NADP+
Analyse Imine reductase from myxococcus stipitatus in complex with NADP+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TO4
- Type
- protein
- Length
- 1,146 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coenzyme F420-dependent NADP oxidoreductase
- UniProt
- L7U9F5
- Ligands
- NAP
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coenzyme F420-dependent NADP oxidoreductase | protein | 291 | 56% helix, 12% strand | L7U9F5 |
| B | Coenzyme F420-dependent NADP oxidoreductase | protein | 289 | 56% helix, 12% strand | L7U9F5 |
| C | Coenzyme F420-dependent NADP oxidoreductase | protein | 290 | 56% helix, 12% strand | L7U9F5 |
| D | Coenzyme F420-dependent NADP oxidoreductase | protein | 276 | 53% helix, 9% strand | L7U9F5 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.79 | 0.86 | 56 | NAP |
| 2 | 497 | 0.79 | 0.86 | 50 | NAP |
| 3 | 553 | 0.78 | 0.84 | 59 | NAP |
| 4 | 488 | 0.76 | 0.84 | 66 | empty |
| 5 | 183 | 0.67 | 0.86 | 26 | empty |
Interfaces
4 interfaces between chains.
- B–C · 4594 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 4442 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 379 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 303 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6TO4 · Imine Reductase from Myxococcus stipitatus in complex with NADP+ · 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 L7U9F5
- Elsewhere: RCSB PDB 6TO4 · PDBe 6TO4 · UniProt L7U9F5
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