Research workbench
Crystal structure of N5-carboxyaminoimidazole synthetase from staphylococcus aureus
Analyse Crystal structure of N5-carboxyaminoimidazole synthetase from staphylococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ORR
- Type
- protein
- Length
- 735 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N5-carboxyaminoimidazole ribonucleotide synthetase
- EC
- 6.3.4.18
- UniProt
- A6QFS4
- Pockets
- 8 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N5-carboxyaminoimidazole ribonucleotide synthetase (EC 6.3.4.18) | protein | 368 | 36% helix, 27% strand | A6QFS4 |
| B | N5-carboxyaminoimidazole ribonucleotide synthetase (EC 6.3.4.18) | protein | 367 | 35% helix, 28% strand | A6QFS4 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.87 | 0.96 | 54 | empty |
| 2 | 124 | 0.73 | 0.93 | 27 | empty |
| 3 | 630 | 0.66 | 0.76 | 68 | empty |
| 4 | 579 | 0.65 | 0.76 | 62 | empty |
| 5 | 91 | 0.48 | 0.82 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1775 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 3ORR · Crystal Structure of N5-Carboxyaminoimidazole synthetase from Staphylococcus aureus · 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 A6QFS4
- Elsewhere: RCSB PDB 3ORR · PDBe 3ORR · UniProt A6QFS4
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