Research workbench
Active site structural features for chemically modified forms of rhodanese
Analyse Active site structural features for chemically modified forms of rhodanese in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ORB
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxymethylated rhodanese
- EC
- 2.8.1.1
- UniProt
- P00586
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxymethylated rhodanese (EC 2.8.1.1) | protein | 293 | 32% helix, 15% strand | P00586 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 189 | 0.55 | 0.79 | 29 | ACT |
| 2 | 54 | 0.27 | 0.73 | 18 | empty |
| 3 | 50 | 0.26 | 0.74 | 12 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1ORB · Active site structural features for chemically modified forms of rhodanese · the same entry in another collection · chain A against A, TM-score 1.00
- P00586 · AlphaFold monomer V2.0 prediction for thiosulfate sulfurtransferase (P00586) · 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 P00586
- Elsewhere: RCSB PDB 1ORB · PDBe 1ORB · UniProt P00586
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