MolNFT v1 · #51411 · protein
Crystal structure of a complex of pterin-4A-carbinolamine dehydratase from toxoplasma gondii with 7,8- dihydrobiopterin
2V6T: “Crystal structure of a complex of pterin-4A-carbinolamine dehydratase from toxoplasma gondii with 7,8…”. X-ray diffraction, 1 ligand (H2B), 2 pockets (best druggability 0.28). MolNFT v1 #51411 on GenesisL1: 3D structure, binding…
- PDB
- 2V6T
- Type
- protein
- Length
- 199 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pterin-4A-carbinolamine dehydratase
- EC
- 4.2.1.96
- UniProt
- Q2Q449
- Ligands
- H2B
- Pockets
- 2 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pterin-4A-carbinolamine dehydratase (EC 4.2.1.96) | protein | 99 | 45% helix, 21% strand | Q2Q449 |
| B | Pterin-4A-carbinolamine dehydratase (EC 4.2.1.96) | protein | 100 | 45% helix, 21% strand | Q2Q449 |
Ligands and binding sites
- H2B · 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6H-pteridin-4-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.28 | 0.74 | 11 | H2B |
| 2 | 64 | 0.27 | 0.73 | 12 | H2B |
Interfaces
1 interface between chains.
- A–B · 765 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2V6T · Crystal structure of a complex of pterin-4a-carbinolamine dehydratase from Toxoplasma… · 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 Q2Q449
- Elsewhere: RCSB PDB 2V6T · PDBe 2V6T · UniProt Q2Q449
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