MolNFT v1 · #151227 · protein
Crystal structure of a two-domain esterase (cex) active on acetylated mannans co-crystallized with mannopentaose
6HH9 · Gdsl-like protein: “Crystal structure of a two-domain esterase (cex) active on acetylated mannans co-crystallized with…”. X-ray diffraction, 1 ligand (BMA), 7 pockets (best druggability 0.67). MolNFT v1 #151227 on GenesisL1: 3D…
- PDB
- 6HH9
- Type
- protein
- Length
- 1,467 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gdsl-like protein
- UniProt
- C7G6F8
- Ligands
- BMA
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gdsl-like protein | protein | 368 | 29% helix, 27% strand | C7G6F8 |
| B | Gdsl-like protein | protein | 370 | 28% helix, 28% strand | C7G6F8 |
| C | Gdsl-like protein | protein | 366 | 29% helix, 28% strand | C7G6F8 |
| D | Gdsl-like protein | protein | 363 | 28% helix, 28% strand | C7G6F8 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 13 copies · chains A, B, C, D
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 | 359 | 0.67 | 0.81 | 43 | empty |
| 2 | 343 | 0.66 | 0.81 | 37 | empty |
| 3 | 502 | 0.61 | 0.75 | 60 | empty |
| 4 | 198 | 0.47 | 0.75 | 41 | BMA |
| 5 | 175 | 0.45 | 0.74 | 33 | BMA |
Interfaces
3 interfaces between chains.
- A–D · 760 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 745 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 278 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6HH9 · Crystal structure of a two-domain esterase (CEX) active on acetylated mannans… · 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 C7G6F8
- Elsewhere: RCSB PDB 6HH9 · PDBe 6HH9 · UniProt C7G6F8
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