MolNFT v1 · #112289 · protein
Short-chain DEHYDROGENASE/REDUCTASE from serratia marcescens bcrc 10948
4ZGW: “Short-chain DEHYDROGENASE/REDUCTASE from serratia marcescens bcrc 10948”. X-ray diffraction, 4 pockets (best druggability 0.75). MolNFT v1 #112289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ZGW
- Type
- protein
- Length
- 463 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain DEHYDROGENASE/REDUCTASE
- EC
- 1.1.1.100
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.100) | protein | 245 | 44% helix, 18% strand | — |
| B | Short-chain DEHYDROGENASE/REDUCTASE (EC 1.1.1.100) | protein | 218 | 41% helix, 21% strand | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 578 | 0.75 | 0.82 | 49 | empty |
| 2 | 304 | 0.55 | 0.76 | 40 | empty |
| 3 | 153 | 0.46 | 0.76 | 19 | empty |
| 4 | 108 | 0.44 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1526 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 4ZGW · Short-chain dehydrogenase/reductase from Serratia marcescens BCRC 10948 · 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
- Elsewhere: RCSB PDB 4ZGW · PDBe 4ZGW
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