MolNFT v1 · #184073 · protein
Mat in complex with samh
7OCK · S-adenosylmethionine synthase: “Mat in complex with samh”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #184073 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7OCK
- Type
- protein
- Length
- 3,666 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine synthase; SAM hydrolase
- EC
- 2.5.1.6
- UniProt
- A0A4S5B2W6, P07693
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 6 distinct chains · 28% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, C, F | S-adenosylmethionine synthase (EC 2.5.1.6) | protein | 384 | 33% helix, 24% strand | A0A4S5B2W6 |
| D, E, G, H, I | S-adenosylmethionine synthase (EC 2.5.1.6) | protein | 383 | 34% helix, 24% strand | A0A4S5B2W6 |
| L | SAM hydrolase | protein | 152 | 22% helix, 23% strand | P07693 |
| A | SAM hydrolase | protein | 151 | 22% helix, 26% strand | P07693 |
| K | SAM hydrolase | protein | 147 | 19% helix, 29% strand | P07693 |
| J | SAM hydrolase | protein | 149 | 22% helix, 31% strand | P07693 |
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 | 1069 | 0.85 | 0.86 | 120 | empty |
| 2 | 174 | 0.79 | 0.94 | 29 | empty |
| 3 | 889 | 0.79 | 0.82 | 90 | empty |
| 4 | 966 | 0.79 | 0.81 | 111 | empty |
| 5 | 239 | 0.78 | 0.91 | 36 | empty |
Interfaces
21 interfaces between chains.
- B–C · 2362 Ų buried · 24 hydrogen bonds · protein-protein
- F–G · 2295 Ų buried · 35 hydrogen bonds · protein-protein
- D–E · 2188 Ų buried · 23 hydrogen bonds · protein-protein
- H–I · 2140 Ų buried · 32 hydrogen bonds · protein-protein
- A–K · 1069 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7OCK · MAT in complex with SAMH · the same entry in another collection · chain C against C, 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 A0A4S5B2W6
- Every structure of UniProt P07693
- Elsewhere: RCSB PDB 7OCK · PDBe 7OCK · UniProt A0A4S5B2W6 · UniProt P07693
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