MolNFT v1 · #111054 · protein
Structure of N-acylhomoserine lactone acylase macq
4YF9 · Protein related to penicillin acylase: “Structure of N-acylhomoserine lactone acylase macq”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #111054 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4YF9
- Type
- protein
- Length
- 3,028 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein related to penicillin acylase
- UniProt
- A0A0A1VBK6
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 7 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G, J | Protein related to penicillin acylase | protein | 167 | 60% helix, 8% strand | A0A0A1VBK6 |
| B, H | Protein related to penicillin acylase | protein | 15 | 20% helix, 0% strand | A0A0A1VBK6 |
| C, F, L | Protein related to penicillin acylase | protein | 575 | 26% helix, 29% strand | A0A0A1VBK6 |
| D | Protein related to penicillin acylase | protein | 168 | 61% helix, 9% strand | A0A0A1VBK6 |
| E | Protein related to penicillin acylase | protein | 14 | 21% helix, 0% strand | A0A0A1VBK6 |
| I | Protein related to penicillin acylase | protein | 574 | 27% helix, 29% strand | A0A0A1VBK6 |
| K | Protein related to penicillin acylase | protein | 16 | 19% helix, 0% strand | A0A0A1VBK6 |
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 702 | 0.76 | 0.81 | 78 | empty |
| 2 | 326 | 0.74 | 0.86 | 52 | empty |
| 3 | 65 | 0.74 | 0.98 | 21 | empty |
| 4 | 60 | 0.72 | 0.97 | 20 | empty |
| 5 | 51 | 0.71 | 0.98 | 15 | empty |
Interfaces
30 interfaces between chains.
- D–F · 4442 Ų buried · 89 hydrogen bonds · protein-protein
- J–L · 4360 Ų buried · 80 hydrogen bonds · protein-protein
- G–I · 4321 Ų buried · 83 hydrogen bonds · protein-protein
- A–C · 4276 Ų buried · 81 hydrogen bonds · protein-protein
- C–I · 668 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 4YF9 · Structure of N-acylhomoserine lactone acylase MacQ · 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 A0A0A1VBK6
- Elsewhere: RCSB PDB 4YF9 · PDBe 4YF9 · UniProt A0A0A1VBK6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.