MolNFT v1 · #14340 · protein
Crystal structure of leishmania mexicana gpdh complexed with inhibitor 2-bromo-6-chloro-purine
1M66 · Glycerol-3-phosphate dehydrogenase: “Crystal structure of leishmania mexicana gpdh complexed with inhibitor 2-bromo-6-chloro-purine”. X-ray diffraction, 2 ligands (BCP, PLM), 3 pockets (best druggability 0.70). MolNFT v1 #14340 on…
- PDB
- 1M66
- Type
- protein
- Length
- 346 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycerol-3-phosphate dehydrogenase
- EC
- 1.1.1.8
- UniProt
- P90551
- Ligands
- BCP, PLM
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycerol-3-phosphate dehydrogenase (EC 1.1.1.8) | protein | 346 | 50% helix, 12% strand | P90551 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 612 | 0.70 | 0.78 | 47 | BCP |
| 2 | 204 | 0.61 | 0.81 | 31 | PLM |
| 3 | 54 | 0.36 | 0.79 | 13 | empty |
Compared structures
- 1M66 · Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P90551 · AlphaFold monomer V2.0 prediction for glycerol-3-phosphate dehydrogenase [NAD(+)]… · 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 P90551
- Elsewhere: RCSB PDB 1M66 · PDBe 1M66 · UniProt P90551
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