Research workbench
Structure of the pure phosphoribosylaminoimidazole carboxylase catalytic subunit from yersinia pestis
Analyse Structure of the pure phosphoribosylaminoimidazole carboxylase catalytic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KUU
- Type
- protein
- Length
- 663 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylaminoimidazole carboxylase catalytic subunit pure
- EC
- 4.1.1.21
- UniProt
- Q7CJZ1
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoribosylaminoimidazole carboxylase catalytic subunit pure (EC 4.1.1.21) | protein | 169 | 45% helix, 15% strand | Q7CJZ1 |
| B | Phosphoribosylaminoimidazole carboxylase catalytic subunit pure (EC 4.1.1.21) | protein | 162 | 48% helix, 14% strand | Q7CJZ1 |
| C | Phosphoribosylaminoimidazole carboxylase catalytic subunit pure (EC 4.1.1.21) | protein | 167 | 49% helix, 14% strand | Q7CJZ1 |
| D | Phosphoribosylaminoimidazole carboxylase catalytic subunit pure (EC 4.1.1.21) | protein | 165 | 47% helix, 14% strand | Q7CJZ1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 14 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.64 | 0.82 | 44 | empty |
| 2 | 216 | 0.50 | 0.76 | 34 | empty |
| 3 | 79 | 0.37 | 0.77 | 23 | empty |
| 4 | 74 | 0.35 | 0.77 | 20 | empty |
| 5 | 90 | 0.33 | 0.73 | 13 | SO4 |
Interfaces
3 interfaces between chains.
- A–B · 1867 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1097 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 571 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3KUU · Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from… · 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 Q7CJZ1
- Elsewhere: RCSB PDB 3KUU · PDBe 3KUU · UniProt Q7CJZ1
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