MolNFT v1 · #69399 · protein
Crystal structure of the cbs domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L- methionine
3KPC · Uncharacterized protein MJ0100: “Crystal structure of the cbs domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and…”. X-ray diffraction, 2 ligands (SAM, MTA), 2 pockets (best druggability 0.41). MolNFT v1 #69399…
- PDB
- 3KPC
- Type
- protein
- Length
- 124 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein MJ0100
- UniProt
- Q57564
- Ligands
- SAM, MTA
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein MJ0100 | protein | 124 | 40% helix, 24% strand | Q57564 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · chains A
- MTA · 5'-deoxy-5'-methylthioadenosine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.41 | 0.79 | 16 | MTA |
| 2 | 67 | 0.36 | 0.77 | 15 | SAM |
Compared structures
- 3KPC · Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5… · the same entry in another collection · chain A against A, TM-score 1.00
- Q57564 · AlphaFold monomer V2.0 prediction for L-aspartate semialdehyde sulfurtransferase (Q57564) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q57564
- Elsewhere: RCSB PDB 3KPC · PDBe 3KPC · UniProt Q57564
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