Research workbench
Thermostable penicillin G acylase from alcaligenes faecalis in tetragonal form
Analyse Thermostable penicillin G acylase from alcaligenes faecalis in tetragonal form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ML0
- Type
- protein
- Length
- 746 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillin G acylase, alpha subunit; Penicillin G acylase, beta subunit
- EC
- 3.5.1.11
- UniProt
- O34142
- Ligands
- CA
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Penicillin G acylase, alpha subunit (EC 3.5.1.11) | protein | 195 | 61% helix, 7% strand | O34142 |
| B | Penicillin G acylase, beta subunit (EC 3.5.1.11) | protein | 551 | 20% helix, 27% strand | O34142 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.73 | 0.98 | 19 | empty |
| 2 | 464 | 0.64 | 0.77 | 38 | empty |
| 3 | 110 | 0.49 | 0.80 | 22 | empty |
| 4 | 192 | 0.49 | 0.76 | 24 | empty |
| 5 | 104 | 0.37 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 6722 Ų buried · 90 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3ML0 · Thermostable Penicillin G acylase from Alcaligenes faecalis in tetragonal form · 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 O34142
- Elsewhere: RCSB PDB 3ML0 · PDBe 3ML0 · UniProt O34142
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