Research workbench
Crystal structure of ML2640 from mycobacterium leprae
Analyse Crystal structure of ML2640 from mycobacterium leprae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CKD
- Type
- protein
- Length
- 601 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative S-adenosyl-L-methionine-dependent methyltransferase ML2640
- EC
- 2.1.1.-
- UniProt
- Q9CCZ4
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative S-adenosyl-L-methionine-dependent methyltransferase ML2640 (EC 2.1.1.-) | protein | 303 | 47% helix, 14% strand | Q9CCZ4 |
| B | Putative S-adenosyl-L-methionine-dependent methyltransferase ML2640 (EC 2.1.1.-) | protein | 298 | 48% helix, 13% strand | Q9CCZ4 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 365 | 0.82 | 0.91 | 59 | empty |
| 2 | 423 | 0.79 | 0.87 | 56 | empty |
| 3 | 295 | 0.62 | 0.80 | 30 | empty |
| 4 | 151 | 0.51 | 0.79 | 34 | empty |
| 5 | 101 | 0.48 | 0.81 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 746 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2CKD · Crystal structure of ML2640 from Mycobacterium leprae · the same entry in another collection · chain A against A, TM-score 1.00
- Q9CCZ4 · AlphaFold monomer V2.0 prediction for putative S-adenosyl-L- methionine-dependent… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q9CCZ4
- Elsewhere: RCSB PDB 2CKD · PDBe 2CKD · UniProt Q9CCZ4
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