MolNFT v1 · #162820 · protein
Inter-dimeric interface controls function and stability of S- methionine adenosyltransferase from U. urealiticum
6RK5: “Inter-dimeric interface controls function and stability of S- methionine adenosyltransferase from U.…”. X-ray diffraction, 20 pockets (best druggability 0.74). MolNFT v1 #162820 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6RK5
- Type
- protein
- Length
- 1,448 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine adenosyltransferase
- EC
- 2.5.1.6
- UniProt
- B2NE58
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionine adenosyltransferase (EC 2.5.1.6) | protein | 365 | 33% helix, 24% strand | B2NE58 |
| B | Methionine adenosyltransferase (EC 2.5.1.6) | protein | 361 | 33% helix, 24% strand | B2NE58 |
| C | Methionine adenosyltransferase (EC 2.5.1.6) | protein | 363 | 33% helix, 24% strand | B2NE58 |
| D | Methionine adenosyltransferase (EC 2.5.1.6) | protein | 359 | 33% helix, 24% strand | B2NE58 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 619 | 0.74 | 0.81 | 61 | empty |
| 2 | 596 | 0.73 | 0.80 | 61 | empty |
| 3 | 567 | 0.73 | 0.81 | 54 | empty |
| 4 | 621 | 0.72 | 0.80 | 56 | empty |
| 5 | 575 | 0.71 | 0.80 | 60 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2682 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2520 Ų buried · 34 hydrogen bonds · protein-protein
- B–D · 342 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 315 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 305 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6RK5 · Inter-dimeric interface controls function and stability of S-methionine… · 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 B2NE58
- Elsewhere: RCSB PDB 6RK5 · PDBe 6RK5 · UniProt B2NE58
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