MolNFT v1 · #65053 · protein
Crystal structure of S-adenosyl-L-homocysteine hydrolase from burkholderia pseudomallei in complex with 9-beta-D- arabino-furansyl-adenine
3GLQ · Adenosylhomocysteinase: “Crystal structure of S-adenosyl-L-homocysteine hydrolase from burkholderia pseudomallei in complex with…”. X-ray diffraction, 2 ligands (NAD, RAB), 5 pockets (best druggability 0.83). MolNFT v1 #65053 on…
- PDB
- 3GLQ
- Type
- protein
- Length
- 924 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosylhomocysteinase
- EC
- 3.3.1.1
- UniProt
- Q3JY79
- Ligands
- NAD, RAB
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 462 | 48% helix, 14% strand | Q3JY79 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- RAB · 2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1016 | 0.83 | 0.84 | 114 | NAD, RAB |
| 2 | 1028 | 0.83 | 0.84 | 115 | NAD, RAB |
| 3 | 287 | 0.77 | 0.89 | 26 | empty |
| 4 | 109 | 0.41 | 0.76 | 26 | empty |
| 5 | 64 | 0.31 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 3084 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 3GLQ · Crystal structure of S-adenosyl-L-homocysteine hydrolase from Burkholderia pseudomallei… · the same entry in another collection · chain A against A, TM-score 1.00
- Q3JY79 · AlphaFold monomer V2.0 prediction for adenosylhomocysteinase (Q3JY79) · 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 Q3JY79
- Elsewhere: RCSB PDB 3GLQ · PDBe 3GLQ · UniProt Q3JY79
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.