MolNFT v1 · #87375 · protein
Crystal structure of galactose mutarotase galm from bacillus subtilis with trehalose
4BZF · Aldose 1-epimerase: “Crystal structure of galactose mutarotase galm from bacillus subtilis with trehalose”. X-ray diffraction, 1 ligand (GLC), 3 pockets (best druggability 0.57). MolNFT v1 #87375 on GenesisL1: 3D structure, binding…
- PDB
- 4BZF
- Type
- protein
- Length
- 645 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldose 1-epimerase
- EC
- 5.1.3.3
- UniProt
- P39840
- Ligands
- GLC
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldose 1-epimerase (EC 5.1.3.3) | protein | 322 | 10% helix, 50% strand | P39840 |
| B | Aldose 1-epimerase (EC 5.1.3.3) | protein | 323 | 11% helix, 49% strand | P39840 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · chains A
- ACT · Acetate ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.57 | 0.80 | 30 | empty |
| 2 | 79 | 0.36 | 0.76 | 17 | ACT |
| 3 | 75 | 0.35 | 0.76 | 16 | CIT |
Interfaces
1 interface between chains.
- A–B · 551 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4BZF · Crystal structure of galactose mutarotase GalM from Bacillus subtilis with trehalose · the same entry in another collection · chain A against A, TM-score 1.00
- P39840 · AlphaFold monomer V2.0 prediction for aldose 1-epimerase (P39840) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P39840
- Elsewhere: RCSB PDB 4BZF · PDBe 4BZF · UniProt P39840
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