Research workbench
Crystal structure of cytosine deaminase from escherichia COLI complexed with zinc and phosphono-cytosine
Analyse Crystal structure of cytosine deaminase from escherichia COLI complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O7U
- Type
- protein
- Length
- 422 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosine deaminase
- UniProt
- Q53ZC8
- Ligands
- PXN, O7U, ZN
- Pockets
- 3 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytosine deaminase | protein | 422 | 37% helix, 22% strand | Q53ZC8 |
Ligands and binding sites
- PXN · (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol · ligand · chains A
- O7U · (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 6 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.34 | 0.77 | 18 | empty |
| 2 | 60 | 0.31 | 0.76 | 13 | empty |
| 3 | 77 | 0.30 | 0.73 | 21 | GOL |
Compared structures
- 3O7U · Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and… · 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 Q53ZC8
- Elsewhere: RCSB PDB 3O7U · PDBe 3O7U · UniProt Q53ZC8
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