MolNFT v1 · #78545 · protein
Crystal structure of a short chain dehydrogenase (A0QTM2 homolog) mycobacterium thermoresistibile
3SC4: “Crystal structure of a short chain dehydrogenase (A0QTM2 homolog) mycobacterium thermoresistibile”. X-ray diffraction, 3 ligands (CL, UNL, SO4), 3 pockets (best druggability 0.69). MolNFT v1 #78545 on GenesisL1: 3D structure…
- PDB
- 3SC4
- Type
- protein
- Length
- 561 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short chain dehydrogenase (A0QTM2 homolog)
- Ligands
- CL, UNL, SO4
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short chain dehydrogenase (A0QTM2 homolog) | protein | 280 | 42% helix, 13% strand | — |
| B | Short chain dehydrogenase (A0QTM2 homolog) | protein | 281 | 41% helix, 13% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 10 copies · chains A, B
- UNL · Unknown ligand · ion · 5 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
- EDO · 1,2-ethanediol · additive · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 612 | 0.69 | 0.77 | 50 | GOL |
| 2 | 572 | 0.68 | 0.77 | 46 | EDO, UNL |
| 3 | 82 | 0.34 | 0.75 | 10 | CL |
Interfaces
1 interface between chains.
- A–B · 1792 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 3SC4 · Crystal structure of a Short chain dehydrogenase (A0QTM2 homolog) Mycobacterium… · 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 3SC4 · PDBe 3SC4
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