MolNFT v1 · #29578 · protein
Crystal structure of phosphoribosylaminoimidazolecarboxamide formyltransferase / imp cyclohydrolase (TM1249) from thermotoga maritima at 1.88 a resolution
1ZCZ · Bifunctional purine biosynthesis protein purh: “Crystal structure of phosphoribosylaminoimidazolecarboxamide formyltransferase / imp cyclohydrolase (TM1249)…”. X-ray diffraction, 1 ligand (K), 12 pockets (best druggability 0.76).…
- PDB
- 1ZCZ
- Type
- protein
- Length
- 906 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional purine biosynthesis protein purh
- UniProt
- Q9X0X6
- Ligands
- K
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional purine biosynthesis protein purh | protein | 452 | 38% helix, 23% strand | Q9X0X6 |
| B | Bifunctional purine biosynthesis protein purh | protein | 454 | 38% helix, 23% strand | Q9X0X6 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.76 | 0.97 | 34 | empty |
| 2 | 63 | 0.71 | 0.97 | 21 | empty |
| 3 | 516 | 0.68 | 0.78 | 53 | empty |
| 4 | 456 | 0.65 | 0.78 | 42 | empty |
| 5 | 245 | 0.55 | 0.77 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 5437 Ų buried · 104 hydrogen bonds · protein-protein
Compared structures
- 1ZCZ · Crystal structure of Phosphoribosylaminoimidazolecarboxamide formyltransferase / IMP… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X0X6 · AlphaFold monomer V2.0 prediction for bifunctional purine biosynthesis protein purh… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9X0X6
- Elsewhere: RCSB PDB 1ZCZ · PDBe 1ZCZ · UniProt Q9X0X6
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