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Crystal structure of mutant cj ycei protein (cj-N48C) with monobromobimane guest structure
Analyse Crystal structure of mutant cj ycei protein (cj-N48C) with monobromobimane… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5W30
- Type
- protein
- Length
- 171 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative periplasmic protein
- UniProt
- Q0PB90
- Ligands
- UNL, 9UM, SO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative periplasmic protein | protein | 171 | 11% helix, 48% strand | Q0PB90 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · chains A
- 9UM · 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
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 | 550 | 0.75 | 0.81 | 43 | UNL |
| 2 | 55 | 0.33 | 0.77 | 11 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5W30 · Crystal structure of mutant CJ YCEI protein (CJ-N48C) with monobromobimane guest structure · 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 Q0PB90
- Elsewhere: RCSB PDB 5W30 · PDBe 5W30 · UniProt Q0PB90
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