MolNFT v1 · #15934 · protein
Human gar tfase in complex with hydrolyzed form of 10- trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8- tetrahydrofolic acid
1NJS · Phosphoribosylglycinamide formyltransferase: “Human gar tfase in complex with hydrolyzed form of 10- trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8…”. X-ray diffraction, 2 ligands (KEU, PO4), 4 pockets (best druggability 0.65). MolNFT…
- PDB
- 1NJS
- Type
- protein
- Length
- 400 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylglycinamide formyltransferase
- EC
- 2.1.2.2
- UniProt
- P22102
- Ligands
- KEU, PO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphoribosylglycinamide formyltransferase (EC 2.1.2.2) | protein | 200 | 37% helix, 24% strand | P22102 |
Ligands and binding sites
- KEU · N-{4-[(1R)-4-[(2R,4R,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-D-glutamic acid · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.65 | 0.82 | 38 | PO4, KEU |
| 2 | 306 | 0.64 | 0.80 | 41 | KEU |
| 3 | 110 | 0.40 | 0.76 | 22 | empty |
| 4 | 105 | 0.38 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 752 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
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 P22102
- Elsewhere: RCSB PDB 1NJS · PDBe 1NJS · UniProt P22102
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