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Crystal structure of apo form of I122A/I330A variant of S- adenosylmethionine synthetase from cryptosporidium hominis
Analyse Crystal structure of apo form of I122A/I330A variant of S- adenosylmethionine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LTW
- Type
- protein
- Length
- 759 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine synthase
- EC
- 2.5.1.6
- UniProt
- A0A0S4TKQ5
- Ligands
- MG, PO4
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-adenosylmethionine synthase (EC 2.5.1.6) | protein | 380 | 33% helix, 26% strand | A0A0S4TKQ5 |
| B | S-adenosylmethionine synthase (EC 2.5.1.6) | protein | 379 | 33% helix, 26% strand | A0A0S4TKQ5 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 4 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 | 594 | 0.73 | 0.81 | 64 | MG, PO4 |
| 2 | 563 | 0.71 | 0.80 | 67 | empty |
| 3 | 537 | 0.71 | 0.80 | 60 | MG, PO4 |
| 4 | 160 | 0.47 | 0.77 | 21 | empty |
| 5 | 153 | 0.47 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2605 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 6LTW · Crystal structure of Apo form of I122A/I330A variant of S-adenosylmethionine synthetase… · 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 A0A0S4TKQ5
- Elsewhere: RCSB PDB 6LTW · PDBe 6LTW · UniProt A0A0S4TKQ5
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