Research workbench
Structure of the catalytic domain (BCGH76) of the bacillus circulans GH76 alpha mannanase, AMAN6.
Analyse Structure of the catalytic domain (BCGH76) of the bacillus circulans GH76 alpha… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4D4A
- Type
- protein
- Length
- 677 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1,6-mannanase
- EC
- 3.2.1.101
- UniProt
- Q9Z4P9
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-1,6-mannanase (EC 3.2.1.101) | protein | 334 | 64% helix, 8% strand | Q9Z4P9 |
| B | Alpha-1,6-mannanase (EC 3.2.1.101) | protein | 343 | 60% helix, 8% strand | Q9Z4P9 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 395 | 0.66 | 0.79 | 37 | empty |
| 2 | 253 | 0.57 | 0.78 | 22 | empty |
| 3 | 235 | 0.53 | 0.76 | 31 | empty |
| 4 | 226 | 0.50 | 0.75 | 27 | empty |
| 5 | 158 | 0.43 | 0.74 | 20 | EDO |
Interfaces
1 interface between chains.
- A–B · 423 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4D4A · Structure of the catalytic domain (BcGH76) of the Bacillus circulans GH76 alpha… · 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 Q9Z4P9
- Elsewhere: RCSB PDB 4D4A · PDBe 4D4A · UniProt Q9Z4P9
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