MolNFT v1 · #33201 · protein
Ligand induced conformational changes in the crystal structures of pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+
2CD2: “Ligand induced conformational changes in the crystal structures of pneumocystis carinii dihydrofolate…”. X-ray diffraction, 2 ligands (NAP, FOL), 1 pocket (best druggability 0.75). MolNFT v1 #33201 on GenesisL1: 3D structure…
- PDB
- 2CD2
- Type
- protein
- Length
- 206 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase
- EC
- 1.5.1.3
- UniProt
- P16184
- Ligands
- NAP, FOL
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydrofolate reductase (EC 1.5.1.3) | protein | 206 | 25% helix, 30% strand | P16184 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- FOL · Folic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.75 | 0.83 | 45 | NAP, FOL |
Compared structures
- 2CD2 · Ligand induced conformational changes in the crystal structures of pneumocystis carinii… · the same entry in another collection · chain A against A, TM-score 1.00
- P16184 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P16184) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P16184
- Elsewhere: RCSB PDB 2CD2 · PDBe 2CD2 · UniProt P16184
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