Research workbench
Plasmodium vivax shmt bound with plp-glycine and GS256
Analyse Plasmodium vivax shmt bound with plp-glycine and GS256 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GVK
- Type
- protein
- Length
- 1,326 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine hydroxymethyltransferase, putative
- UniProt
- A5K8L9
- Ligands
- PLG, G45, CL
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Serine hydroxymethyltransferase, putative | protein | 442 | 49% helix, 13% strand | A5K8L9 |
Ligands and binding sites
- PLG · N-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] · ligand · 3 copies · chains A, B, C
- G45 · 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide · ligand · 3 copies · chains A, B, C
- CL · Chloride ion · ion · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 574 | 0.76 | 0.83 | 78 | PLG, G45 |
| 2 | 467 | 0.76 | 0.84 | 64 | PLG, G45 |
| 3 | 69 | 0.74 | 0.98 | 22 | empty |
| 4 | 533 | 0.64 | 0.76 | 32 | empty |
| 5 | 359 | 0.64 | 0.79 | 40 | empty |
Interfaces
2 interfaces between chains.
- A–B · 4766 Ų buried · 64 hydrogen bonds · protein-protein
- B–C · 428 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5GVK · Plasmodium vivax SHMT bound with PLP-glycine and GS256 · 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 A5K8L9
- Elsewhere: RCSB PDB 5GVK · PDBe 5GVK · UniProt A5K8L9
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