MolNFT v1 · #57923 · protein
Bovine xanthine oxidoreductase urate bound form
3AMZ · Xanthine DEHYDROGENASE/OXIDASE: “Bovine xanthine oxidoreductase urate bound form”. X-ray diffraction, 8 ligands (FES, FAD, NAI), 20 pockets (best druggability 0.85). MolNFT v1 #57923 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3AMZ
- Type
- protein
- Length
- 2,580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xanthine DEHYDROGENASE/OXIDASE
- EC
- 1.17.1.4, 1.17.3.2
- UniProt
- P80457
- Ligands
- FES, FAD, NAI, BCT, MTE, MOS, URC, CA
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xanthine DEHYDROGENASE/OXIDASE (EC 1.17.1.4, 1.17.3.2) | protein | 1291 | 33% helix, 23% strand | P80457 |
| B | Xanthine DEHYDROGENASE/OXIDASE (EC 1.17.1.4, 1.17.3.2) | protein | 1289 | 33% helix, 23% strand | P80457 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 4 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · ligand · 2 copies · chains A, B
- MOS · Dioxothiomolybdenum(vi) ion · ligand · 2 copies · chains A, B
- URC · Uric acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.85 | 0.86 | 154 | empty |
| 2 | 891 | 0.84 | 0.86 | 83 | FAD, NAI |
| 3 | 1001 | 0.84 | 0.85 | 85 | FAD, NAI |
| 4 | 1157 | 0.83 | 0.84 | 113 | empty |
| 5 | 766 | 0.83 | 0.86 | 77 | GOL |
Interfaces
1 interface between chains.
- A–B · 3096 Ų buried · 55 hydrogen bonds · protein-protein
Compared structures
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 P80457
- Elsewhere: RCSB PDB 3AMZ · PDBe 3AMZ · UniProt P80457
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