Research workbench
Crystal structure of the GH43 protein blxynb mutant (K247S) from bacillus licheniformis
Analyse Crystal structure of the GH43 protein blxynb mutant (K247S) from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6MS3
- Type
- protein
- Length
- 1,023 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase family 43
- UniProt
- Q65MB6
- Ligands
- CA, SO4
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase family 43 | protein | 512 | 2% helix, 49% strand | Q65MB6 |
| B | Glycoside hydrolase family 43 | protein | 511 | 2% helix, 50% strand | Q65MB6 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 11 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 728 | 0.73 | 0.79 | 68 | SO4 |
| 2 | 617 | 0.72 | 0.80 | 61 | SO4 |
| 3 | 350 | 0.66 | 0.80 | 29 | empty |
| 4 | 348 | 0.65 | 0.79 | 26 | empty |
| 5 | 105 | 0.48 | 0.80 | 25 | SO4, GOL |
Interfaces
1 interface between chains.
- A–B · 1080 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6MS3 · Crystal structure of the GH43 protein BlXynB mutant (K247S) from Bacillus licheniformis · 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 Q65MB6
- Elsewhere: RCSB PDB 6MS3 · PDBe 6MS3 · UniProt Q65MB6
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