MolNFT v1 · #82755 · protein
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant
3VWL: “Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.67). MolNFT v1 #82755 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3VWL
- Type
- protein
- Length
- 384 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-aminohexanoate-dimer hydrolase
- EC
- 3.5.1.46
- UniProt
- P07061, Q59710
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-aminohexanoate-dimer hydrolase (EC 3.5.1.46) | protein | 384 | 34% helix, 15% strand | P07061, Q59710 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.67 | 0.81 | 39 | GOL, MES |
| 2 | 217 | 0.48 | 0.74 | 33 | empty |
Compared structures
- 3VWL · Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P07061 · AlphaFold monomer V2.0 prediction for 6-aminohexanoate-dimer hydrolase (P07061) · a predicted model of the same protein · 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 P07061
- Every structure of UniProt Q59710
- Elsewhere: RCSB PDB 3VWL · PDBe 3VWL · UniProt P07061 · UniProt Q59710
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