MolNFT v1 · #174686 · protein
Crystal structure of aoflea from arthrobotrys oligospora in complex with D-manose
7C3C: “Crystal structure of aoflea from arthrobotrys oligospora in complex with D-manose”. X-ray diffraction, 2 ligands (BMA, MAN), 5 pockets (best druggability 0.90). MolNFT v1 #174686 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7C3C
- Type
- protein
- Length
- 690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aoflea
- UniProt
- G1XA82
- Ligands
- BMA, MAN
- Pockets
- 5 · best druggability 0.90
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aoflea | protein | 344 | 2% helix, 52% strand | G1XA82 |
| B | Aoflea | protein | 346 | 2% helix, 52% strand | G1XA82 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 3 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · chains A
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1171 | 0.90 | 0.92 | 144 | GOL |
| 2 | 542 | 0.82 | 0.88 | 50 | empty |
| 3 | 109 | 0.52 | 0.82 | 31 | empty |
| 4 | 96 | 0.47 | 0.80 | 22 | empty |
| 5 | 66 | 0.44 | 0.82 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1812 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7C3C · Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose · 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 G1XA82
- Elsewhere: RCSB PDB 7C3C · PDBe 7C3C · UniProt G1XA82
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