Research workbench
SSAT+COA+BE-3-3-3, K6R mutant
Analyse SSAT+COA+BE-3-3-3, K6R mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2B4B
- Type
- protein
- Length
- 338 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diamine acetyltransferase 1
- EC
- 2.3.1.57
- UniProt
- P21673
- Ligands
- COA, B33
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diamine acetyltransferase 1 (EC 2.3.1.57) | protein | 168 | 42% helix, 29% strand | P21673 |
| B | Diamine acetyltransferase 1 (EC 2.3.1.57) | protein | 170 | 42% helix, 29% strand | P21673 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- B33 · N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine · ligand · chains A, B
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 | 917 | 0.81 | 0.82 | 93 | COA, B33 |
| 2 | 90 | 0.47 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 3533 Ų buried · 49 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
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 P21673
- Elsewhere: RCSB PDB 2B4B · PDBe 2B4B · UniProt P21673
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