Research workbench
Crystal structure of human glycine N-methyltransferase
Analyse Crystal structure of human glycine N-methyltransferase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R74
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycine N-methyltransferase
- EC
- 2.1.1.20
- UniProt
- Q14749
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycine N-methyltransferase (EC 2.1.1.20) | protein | 275 | 31% helix, 29% strand | Q14749 |
| B | Glycine N-methyltransferase (EC 2.1.1.20) | protein | 279 | 32% helix, 29% strand | Q14749 |
Ligands and binding sites
- BME · Beta-mercaptoethanol · additive · 4 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 272 | 0.81 | 0.93 | 46 | CIT |
| 2 | 316 | 0.81 | 0.91 | 47 | CIT |
| 3 | 511 | 0.78 | 0.85 | 52 | empty |
| 4 | 149 | 0.47 | 0.77 | 28 | empty |
| 5 | 137 | 0.45 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2387 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (additive adduct).
Compared structures
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 Q14749
- Elsewhere: RCSB PDB 1R74 · PDBe 1R74 · UniProt Q14749
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