MolNFT v1 · #146446 · protein
Bacteroides ovatus GH9 BACOVA_02649
6DHT · Xyloglucan-specific endo-beta-1,4-glucanase BOGH9A: “Bacteroides ovatus GH9 BACOVA_02649”. X-ray diffraction, 3 ligands (CA, MG, CL), 5 pockets (best druggability 0.48). MolNFT v1 #146446 on GenesisL1: 3D structure, binding sites…
- PDB
- 6DHT
- Type
- protein
- Length
- 547 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xyloglucan-specific endo-beta-1,4-glucanase BOGH9A
- EC
- 3.2.1.151
- UniProt
- A7LXT3
- Ligands
- CA, MG, CL
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xyloglucan-specific endo-beta-1,4-glucanase BOGH9A (EC 3.2.1.151) | protein | 547 | 41% helix, 13% strand | A7LXT3 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 14 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.48 | 0.81 | 30 | IMD, EDO, PEG |
| 2 | 55 | 0.44 | 0.83 | 16 | empty |
| 3 | 72 | 0.37 | 0.78 | 16 | EDO |
| 4 | 78 | 0.34 | 0.75 | 19 | empty |
| 5 | 57 | 0.30 | 0.76 | 14 | empty |
Compared structures
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 A7LXT3
- Elsewhere: RCSB PDB 6DHT · PDBe 6DHT · UniProt A7LXT3
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