MolNFT v1 · #99679 · protein
The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of francisella tularensis subsp. tularensis schu S4 in complex with an ADP analog, AMP-cp
4MAM · Phosphoribosylaminoimidazole carboxylase, ATPase subunit: “The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of francisella tularensis…”. X-ray diffraction, 1 ligand (A12), 4 pockets (best druggability…
- PDB
- 4MAM
- Type
- protein
- Length
- 738 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylaminoimidazole carboxylase, ATPase subunit
- EC
- 4.1.1.21
- UniProt
- Q5NGE8
- Ligands
- A12
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoribosylaminoimidazole carboxylase, ATPase subunit (EC 4.1.1.21) | protein | 373 | 34% helix, 27% strand | Q5NGE8 |
| B | Phosphoribosylaminoimidazole carboxylase, ATPase subunit (EC 4.1.1.21) | protein | 365 | 35% helix, 28% strand | Q5NGE8 |
Ligands and binding sites
- A12 · Phosphomethylphosphonic acid adenosyl ester · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 688 | 0.84 | 0.88 | 61 | empty |
| 2 | 659 | 0.77 | 0.83 | 76 | A12, GOL |
| 3 | 625 | 0.73 | 0.81 | 63 | A12, GOL |
| 4 | 62 | 0.31 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1577 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4MAM · The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of… · 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 Q5NGE8
- Elsewhere: RCSB PDB 4MAM · PDBe 4MAM · UniProt Q5NGE8
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