Research workbench
Crystal structures of (S)-carbonyl reductases from candida parapsilosis in different oligomerization states
Analyse Crystal structures of (S)-carbonyl reductases from candida parapsilosis in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DLD
- Type
- protein
- Length
- 551 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonyl reductase
- EC
- 1.1.1.-
- UniProt
- B2KJ46
- Ligands
- MG
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonyl reductase (EC 1.1.1.-) | protein | 276 | 45% helix, 13% strand | B2KJ46 |
| B | Carbonyl reductase (EC 1.1.1.-) | protein | 275 | 45% helix, 14% strand | B2KJ46 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 582 | 0.70 | 0.79 | 52 | empty |
| 2 | 492 | 0.67 | 0.78 | 50 | empty |
| 3 | 223 | 0.55 | 0.78 | 25 | empty |
| 4 | 178 | 0.54 | 0.79 | 26 | empty |
| 5 | 86 | 0.39 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2711 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 7DLD · Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different… · 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 B2KJ46
- Elsewhere: RCSB PDB 7DLD · PDBe 7DLD · UniProt B2KJ46
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