MolNFT v1 · #57068 · protein
Moritella profunda dihydrofolate reductase complex with NADP+ and folate
2ZZA: “Moritella profunda dihydrofolate reductase complex with NADP+ and folate”. X-ray diffraction, 2 ligands (NAP, FOL), 3 pockets (best druggability 0.76). MolNFT v1 #57068 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ZZA
- Type
- protein
- Length
- 322 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- Q70YQ6
- Ligands
- NAP, FOL
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydrofolate reductase (EC 1.5.1.3) | protein | 161 | 26% helix, 35% strand | Q70YQ6 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- FOL · Folic acid · ligand · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 708 | 0.76 | 0.81 | 63 | 1PE |
| 2 | 390 | 0.70 | 0.82 | 47 | NAP, FOL |
| 3 | 392 | 0.69 | 0.81 | 47 | NAP, FOL |
Interfaces
1 interface between chains.
- A–B · 447 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2ZZA · Moritella profunda Dihydrofolate reductase complex with NADP+ and Folate · the same entry in another collection · chain B against B, 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 Q70YQ6
- Elsewhere: RCSB PDB 2ZZA · PDBe 2ZZA · UniProt Q70YQ6
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