Research workbench
Crystal structure of a putative cysteine dioxygnase from bacillus subtilis: a alternative modeling of 3EQE
Analyse Crystal structure of a putative cysteine dioxygnase from bacillus subtilis: a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QM8
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine dioxygenase
- EC
- 1.13.11.20
- UniProt
- O32085
- Ligands
- CYS, FE
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine dioxygenase (EC 1.13.11.20) | protein | 154 | 16% helix, 43% strand | O32085 |
| B | Cysteine dioxygenase (EC 1.13.11.20) | protein | 152 | 16% helix, 39% strand | O32085 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.35 | 0.77 | 18 | empty |
| 2 | 74 | 0.33 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 482 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified, 1 covalent (engineered, covalent ligand).
Compared structures
- 4QM8 · Crystal Structure of a Putative Cysteine Dioxygnase From Bacillus subtilis: A Alternative… · the same entry in another collection · chain B against B, TM-score 1.00
- O32085 · AlphaFold monomer V2.0 prediction for cysteine dioxygenase (O32085) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O32085
- Elsewhere: RCSB PDB 4QM8 · PDBe 4QM8 · UniProt O32085
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