Research workbench
Structure of 6-aminohexanoate cyclic dimer hydrolase complexed with substrate
Analyse Structure of 6-aminohexanoate cyclic dimer hydrolase complexed with substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A2Q
- Type
- protein
- Length
- 482 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-aminohexanoate-cyclic-dimer hydrolase
- EC
- 3.5.2.12
- UniProt
- P13398
- Ligands
- ACA
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-aminohexanoate-cyclic-dimer hydrolase (EC 3.5.2.12) | protein | 482 | 42% helix, 14% strand | P13398 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.80 | 0.97 | 31 | ACA |
| 2 | 69 | 0.64 | 0.93 | 23 | empty |
| 3 | 61 | 0.47 | 0.84 | 25 | empty |
| 4 | 50 | 0.26 | 0.74 | 16 | empty |
Compared structures
- 3A2Q · Structure of 6-aminohexanoate cyclic dimer hydrolase complexed with substrate · the same entry in another collection · chain A against A, TM-score 1.00
- P13398 · AlphaFold monomer V2.0 prediction for 6-aminohexanoate-cyclic-dimer hydrolase (P13398) · 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 P13398
- Elsewhere: RCSB PDB 3A2Q · PDBe 3A2Q · UniProt P13398
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