MolNFT v1 · #181197 · protein
E. COLI S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate
7LNN · S-adenosylmethionine synthase: “E. COLI S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate”. X-ray diffraction, 3 ligands (PPK, MG, PO4), 5 pockets (best druggability 0.79). MolNFT v1 #181197 on…
- PDB
- 7LNN
- Type
- protein
- Length
- 753 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine synthase
- EC
- 2.5.1.6
- UniProt
- V0ZE41
- Ligands
- PPK, MG, PO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-adenosylmethionine synthase (EC 2.5.1.6) | protein | 375 | 33% helix, 25% strand | V0ZE41 |
| B | S-adenosylmethionine synthase (EC 2.5.1.6) | protein | 378 | 31% helix, 25% strand | V0ZE41 |
Ligands and binding sites
- PPK · (diphosphono)aminophosphonic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 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 | 744 | 0.79 | 0.83 | 64 | PPK, MG |
| 2 | 697 | 0.75 | 0.81 | 66 | PPK, MG |
| 3 | 588 | 0.69 | 0.78 | 61 | EDO |
| 4 | 74 | 0.34 | 0.75 | 14 | empty |
| 5 | 51 | 0.34 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2492 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 7LNN · E. coli S-adenosyl methionine transferase co-crystallized with… · 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 V0ZE41
- Elsewhere: RCSB PDB 7LNN · PDBe 7LNN · UniProt V0ZE41
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