MolNFT v1 · #57390 · protein
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate
3A65: “Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate”. X-ray diffraction, 2 ligands (ACA, NA), 3 pockets (best druggability 0.60). MolNFT v1 #57390 on GenesisL1: 3D structure, binding sites…
- PDB
- 3A65
- 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, P07062
- Ligands
- ACA, NA
- Pockets
- 3 · best druggability 0.60
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, P07062 |
Ligands and binding sites
- ACA · 6-aminohexanoic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.60 | 0.81 | 35 | empty |
| 2 | 69 | 0.56 | 0.88 | 18 | ACA |
| 3 | 186 | 0.46 | 0.75 | 31 | empty |
Compared structures
- 3A65 · Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with… · the same entry in another collection · chain A against A, TM-score 1.00
- P07062 · AlphaFold monomer V2.0 prediction for 6-aminohexanoate-dimer hydrolase (P07062) · a predicted model of the same protein · 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 P07062
- Elsewhere: RCSB PDB 3A65 · PDBe 3A65 · UniProt P07061 · UniProt P07062
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