Research workbench
Crystal structure of mouse sahh complexed with noraristeromycin
Analyse Crystal structure of mouse sahh complexed with noraristeromycin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AXB
- Type
- protein
- Length
- 859 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosylhomocysteinase
- EC
- 3.3.1.1
- UniProt
- P50247
- Ligands
- NAD, NRN, NA
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 429 | 45% helix, 16% strand | P50247 |
| C | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 430 | 45% helix, 16% strand | P50247 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, C
- NRN · (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol · ligand · 2 copies · chains A, C
- NA · Sodium ion · metal · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 727 | 0.77 | 0.82 | 86 | NA |
| 2 | 444 | 0.72 | 0.82 | 67 | NAD, NRN |
| 3 | 421 | 0.69 | 0.81 | 67 | NAD, NRN |
| 4 | 261 | 0.56 | 0.77 | 32 | empty |
| 5 | 234 | 0.52 | 0.76 | 31 | empty |
Interfaces
1 interface between chains.
- A–C · 1944 Ų buried · 29 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 P50247
- Elsewhere: RCSB PDB 5AXB · PDBe 5AXB · UniProt P50247
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