MolNFT v1 · #157222 · protein
Crystal structure of the GH43 protein blxynb mutant (K247S) from bacillus licheniformis
6MS3 · Glycoside hydrolase family 43: “Crystal structure of the GH43 protein blxynb mutant (K247S) from bacillus licheniformis”. X-ray diffraction, 2 ligands (CA, SO4), 9 pockets (best druggability 0.73). MolNFT v1 #157222 on GenesisL1: 3D…
- 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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