MolNFT v1 · #77716 · protein
Crystal structure of cytosine deaminase from escherichia COLI complexed with zinc and isoguanine
3RN6: “Crystal structure of cytosine deaminase from escherichia COLI complexed with zinc and isoguanine”. X-ray diffraction, 3 ligands (PXN, IGA, ZN), 3 pockets (best druggability 0.37). MolNFT v1 #77716 on GenesisL1: 3D structure, binding…
- PDB
- 3RN6
- Type
- protein
- Length
- 422 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosine deaminase
- EC
- 3.5.4.1
- UniProt
- P25524
- Ligands
- PXN, IGA, ZN
- Pockets
- 3 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytosine deaminase (EC 3.5.4.1) | protein | 422 | 36% helix, 23% strand | P25524 |
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
- IGA · 6-amino-3,7-dihydro-2H-purin-2-one · ligand · chains A
- ZN · Zinc ion · metal · 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 | 87 | 0.37 | 0.76 | 23 | empty |
| 2 | 94 | 0.34 | 0.74 | 22 | empty |
| 3 | 76 | 0.34 | 0.76 | 13 | empty |
Compared structures
- 3RN6 · 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
- P25524 · AlphaFold monomer V2.0 prediction for cytosine deaminase (P25524) · a predicted model of the same protein · 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 P25524
- Elsewhere: RCSB PDB 3RN6 · PDBe 3RN6 · UniProt P25524
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