Research workbench
Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A
Analyse Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6VSP
- Type
- protein
- Length
- 503 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2,3-butanediol dehydrogenase
- EC
- 1.1.1.-
- UniProt
- H9XP47
- Ligands
- NAD, ADP, NA
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2,3-butanediol dehydrogenase (EC 1.1.1.-) | protein | 251 | 47% helix, 16% strand | H9XP47 |
| B | 2,3-butanediol dehydrogenase (EC 1.1.1.-) | protein | 252 | 48% helix, 16% strand | H9XP47 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- NA · Sodium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.72 | 0.80 | 54 | NAD, GOL |
| 2 | 523 | 0.65 | 0.76 | 39 | empty |
| 3 | 172 | 0.51 | 0.78 | 20 | empty |
| 4 | 119 | 0.40 | 0.76 | 21 | empty |
| 5 | 100 | 0.38 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1412 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6VSP · Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A · 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 H9XP47
- Elsewhere: RCSB PDB 6VSP · PDBe 6VSP · UniProt H9XP47
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