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Crystal structure of guanine deaminase from C. acetobutylicum with bound guanine in the active site
Analyse Crystal structure of guanine deaminase from C. acetobutylicum with bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I9U
- Type
- protein
- Length
- 838 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CYTOSINE/GUANINE deaminase related protein
- EC
- 3.5.4.3
- UniProt
- Q97MB6
- Ligands
- GUN, FE
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CYTOSINE/GUANINE deaminase related protein (EC 3.5.4.3) | protein | 419 | 42% helix, 25% strand | Q97MB6 |
Ligands and binding sites
- GUN · Guanine · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.78 | 0.90 | 56 | empty |
| 2 | 72 | 0.43 | 0.81 | 18 | empty |
| 3 | 52 | 0.41 | 0.82 | 14 | empty |
| 4 | 72 | 0.39 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2079 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 2I9U · Crystal Structure of Guanine Deaminase from C. acetobutylicum with bound guanine in the… · 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 Q97MB6
- Elsewhere: RCSB PDB 2I9U · PDBe 2I9U · UniProt Q97MB6
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