MolNFT v1 · #109862 · protein
Cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine
4XF9 · Cysteine dioxygenase type 1: “Cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine”. X-ray diffraction, 2 ligands (HCS, FE), 1 pocket (best druggability 0.60). MolNFT v1 #109862 on GenesisL1: 3D structure…
- PDB
- 4XF9
- Type
- protein
- Length
- 186 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine dioxygenase type 1
- EC
- 1.13.11.20
- UniProt
- P21816
- Ligands
- HCS, FE
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine dioxygenase type 1 (EC 1.13.11.20) | protein | 186 | 15% helix, 35% strand | P21816 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.60 | 0.86 | 31 | FE, HCS |
Compared structures
- 4XF9 · cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine · the same entry in another collection · chain A against A, TM-score 1.00
- P21816 · AlphaFold monomer V2.0 prediction for cysteine dioxygenase type 1 (P21816) · 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 P21816
- Elsewhere: RCSB PDB 4XF9 · PDBe 4XF9 · UniProt P21816
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