MolNFT v1 · #88742 · protein
Structure of the catalytic domain (BCGH76) of the bacillus circulans GH76 alpha mannanase, AMAN6.
4D4A · Alpha-1,6-mannanase: “Structure of the catalytic domain (BCGH76) of the bacillus circulans GH76 alpha mannanase, AMAN6.”. X-ray diffraction, 7 pockets (best druggability 0.66). MolNFT v1 #88742 on GenesisL1: 3D structure, binding…
- 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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