MolNFT v1 · #134821 · protein
Crystal structure of folm alternative dihydrofolate reductase 1 from brucella suis in complex with NADP
5TGD: “Crystal structure of folm alternative dihydrofolate reductase 1 from brucella suis in complex with NADP”. X-ray diffraction, 1 ligand (NAP), 10 pockets (best druggability 0.84). MolNFT v1 #134821 on GenesisL1: 3D structure, binding…
- PDB
- 5TGD
- Type
- protein
- Length
- 983 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Folm alternative dihydrofolate reductase
- UniProt
- A0A0F6ITS6
- Ligands
- NAP
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Folm alternative dihydrofolate reductase | protein | 249 | 45% helix, 14% strand | A0A0F6ITS6 |
| B | Folm alternative dihydrofolate reductase | protein | 247 | 45% helix, 14% strand | A0A0F6ITS6 |
| C | Folm alternative dihydrofolate reductase | protein | 249 | 45% helix, 14% strand | A0A0F6ITS6 |
| D | Folm alternative dihydrofolate reductase | protein | 238 | 44% helix, 16% strand | A0A0F6ITS6 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, C, D
- GOL · Glycerol · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1156 | 0.84 | 0.85 | 67 | empty |
| 2 | 670 | 0.76 | 0.82 | 53 | NAP |
| 3 | 605 | 0.72 | 0.80 | 55 | NAP |
| 4 | 613 | 0.71 | 0.79 | 50 | NAP |
| 5 | 481 | 0.66 | 0.78 | 46 | NAP |
Interfaces
6 interfaces between chains.
- B–D · 1488 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 1459 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1328 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1309 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 785 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5TGD · Crystal structure of FolM Alternative dihydrofolate reductase 1 from Brucella suis in… · the same entry in another collection · chain D against D, 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 A0A0F6ITS6
- Elsewhere: RCSB PDB 5TGD · PDBe 5TGD · UniProt A0A0F6ITS6
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