Research workbench
Human cysteine sulfinic acid decarboxylase (csad) in complex with plp.
Analyse Human cysteine sulfinic acid decarboxylase (csad) in complex with plp. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2JIS
- Type
- protein
- Length
- 965 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine sulfinic acid decarboxylase
- EC
- 4.1.1.29
- UniProt
- Q9Y600
- Ligands
- PLP, NO3
- Pockets
- 13 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine sulfinic acid decarboxylase (EC 4.1.1.29) | protein | 478 | 48% helix, 14% strand | Q9Y600 |
| B | Cysteine sulfinic acid decarboxylase (EC 4.1.1.29) | protein | 487 | 47% helix, 14% strand | Q9Y600 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1024 | 0.77 | 0.79 | 76 | PLP |
| 2 | 681 | 0.75 | 0.81 | 63 | PLP |
| 3 | 119 | 0.50 | 0.80 | 22 | empty |
| 4 | 100 | 0.46 | 0.80 | 19 | empty |
| 5 | 92 | 0.45 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 7090 Ų buried · 87 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 2JIS · Human cysteine sulfinic acid decarboxylase (CSAD) in complex with PLP. · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y600 · AlphaFold monomer V2.0 prediction for cysteine sulfinic acid decarboxylase (Q9Y600) · 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 Q9Y600
- Elsewhere: RCSB PDB 2JIS · PDBe 2JIS · UniProt Q9Y600
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