MolNFT v1 · #59257 · protein
Crystal structure of D-mannonate dehydratase from chromohalobacter salexigens
3BSM · Mandelate RACEMASE/MUCONATE lactonizing enzyme: “Crystal structure of D-mannonate dehydratase from chromohalobacter salexigens”. X-ray diffraction, 13 pockets (best druggability 0.86). MolNFT v1 #59257 on GenesisL1: 3D structure…
- PDB
- 3BSM
- Type
- protein
- Length
- 1,432 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme
- UniProt
- Q1QT89
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Mandelate RACEMASE/MUCONATE lactonizing enzyme | protein | 358 | 43% helix, 19% strand | Q1QT89 |
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 985 | 0.86 | 0.87 | 109 | empty |
| 2 | 194 | 0.66 | 0.85 | 38 | empty |
| 3 | 208 | 0.66 | 0.85 | 38 | empty |
| 4 | 203 | 0.65 | 0.84 | 37 | empty |
| 5 | 190 | 0.64 | 0.84 | 37 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1698 Ų buried · 27 hydrogen bonds · protein-protein
- B–D · 1679 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1284 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 853 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 833 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3BSM · Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens · the same entry in another collection · chain D against D, TM-score 1.00
- Q1QT89 · AlphaFold monomer V2.0 prediction for D-galactonate dehydratase family member mand… · a predicted model of the same protein · chain C 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 Q1QT89
- Elsewhere: RCSB PDB 3BSM · PDBe 3BSM · UniProt Q1QT89
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