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Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from thermus thermophilus HB8
Analyse Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AW8
- Type
- protein
- Length
- 720 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylaminoimidazole carboxylase, ATPase subunit
- EC
- 6.3.4.18
- UniProt
- Q5SKY0
- Ligands
- AMP, CL
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphoribosylaminoimidazole carboxylase, ATPase subunit (EC 6.3.4.18) | protein | 360 | 33% helix, 29% strand | Q5SKY0 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- CL · Chloride 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.86 | 0.95 | 39 | CL |
| 2 | 477 | 0.61 | 0.75 | 54 | AMP, CL |
| 3 | 452 | 0.60 | 0.75 | 49 | AMP |
| 4 | 64 | 0.26 | 0.72 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1301 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3AW8 · Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from Thermus… · 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 Q5SKY0
- Elsewhere: RCSB PDB 3AW8 · PDBe 3AW8 · UniProt Q5SKY0
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