Research workbench
Crystal Structure of NADP-linked putative oxidoreductase from Klebsiella pneumoniae
Analyse Crystal Structure of NADP-linked putative oxidoreductase from Klebsiella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TWZ
- Type
- protein
- Length
- 1,788 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.1
- Source
- Klebsiella pneumoniae subsp. pneumoniae (strain HS11286)
- Molecule
- Putative oxidoreductase, NAD(P)-linked
- UniProt
- A0A0H3GP70
- Ligands
- NAP
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · resolution 2.1 · 1 distinct chain · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Putative oxidoreductase, NAD(P)-linked | protein | 298 | 49% helix, 16% strand | A0A0H3GP70 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 6 copies · chains A, B, C, D, E, F
- ACT · Acetate ion · additive · 7 copies · chains A, E, B, C, F
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, E, B, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 582 | 0.69 | 0.78 | 57 | empty |
| 2 | 314 | 0.66 | 0.81 | 49 | NAP, ACT |
| 3 | 295 | 0.66 | 0.82 | 45 | NAP |
| 4 | 307 | 0.65 | 0.81 | 46 | NAP |
| 5 | 292 | 0.65 | 0.81 | 41 | NAP, ACT |
Interfaces
10 interfaces between chains.
- B–E · 1096 Ų buried · 20 hydrogen bonds · protein-protein
- C–F · 1077 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1069 Ų buried · 19 hydrogen bonds · protein-protein
- D–F · 1063 Ų buried · 21 hydrogen bonds · protein-protein
- A–E · 1062 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 7TWZ · Crystal structure of NADP-linked putative oxidoreductase from klebsiella pneumoniae · 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 A0A0H3GP70
- Elsewhere: RCSB PDB 7TWZ · PDBe 7TWZ · UniProt A0A0H3GP70
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.