MolNFT v1 · #21520 · protein
Crystal structure of a semet derivative of blai at 2.0 a
1SD4 · Penicillinase repressor: “Crystal structure of a semet derivative of blai at 2.0 a”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.66). MolNFT v1 #21520 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1SD4
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Penicillinase repressor
- UniProt
- Q6UB84
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Penicillinase repressor | protein | 122 | 61% helix, 11% strand | Q6UB84 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · 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 | 383 | 0.66 | 0.80 | 49 | SO4 |
| 2 | 75 | 0.32 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 2228 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1SD4 · Crystal Structure of a SeMet derivative of BlaI at 2.0 A · 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 Q6UB84
- Elsewhere: RCSB PDB 1SD4 · PDBe 1SD4 · UniProt Q6UB84
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