MolNFT v1 · #157765 · protein
Crystal structure of adenosine deaminase from salmonella typhimurium with pentostatin (deoxycoformycin)
6N9M: “Crystal structure of adenosine deaminase from salmonella typhimurium with pentostatin (deoxycoformycin)”. X-ray diffraction, 3 ligands (DCF, CA, ZN), 2 pockets (best druggability 0.69). MolNFT v1 #157765 on GenesisL1: 3D structure…
- PDB
- 6N9M
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine deaminase
- EC
- 3.5.4.4
- UniProt
- Q8ZPL9
- Ligands
- DCF, CA, ZN
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine deaminase (EC 3.5.4.4) | protein | 331 | 55% helix, 13% strand | Q8ZPL9 |
Ligands and binding sites
- DCF · 2'-deoxycoformycin · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- FMT · Formic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.69 | 0.91 | 24 | DCF |
| 2 | 88 | 0.31 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 6N9M · Crystal Structure of Adenosine Deaminase from Salmonella typhimurium with Pentostatin… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZPL9 · AlphaFold monomer V2.0 prediction for adenosine deaminase (Q8ZPL9) · 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 Q8ZPL9
- Elsewhere: RCSB PDB 6N9M · PDBe 6N9M · UniProt Q8ZPL9
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