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2.00 ångström resolution crystal structure of a quinolinate phosphoribosyltransferase from vibrio cholerae O1 biovar eltor str. N16961
Analyse 2.00 ångström resolution crystal structure of a quinolinate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PAJ
- Type
- protein
- Length
- 599 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide pyrophosphorylase, carboxylating
- EC
- 2.4.2.19
- UniProt
- Q9KPE6
- Ligands
- MG
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinate-nucleotide pyrophosphorylase, carboxylating (EC 2.4.2.19) | protein | 302 | 48% helix, 18% strand | Q9KPE6 |
| B | Nicotinate-nucleotide pyrophosphorylase, carboxylating (EC 2.4.2.19) | protein | 297 | 47% helix, 18% strand | Q9KPE6 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 598 | 0.75 | 0.82 | 49 | empty |
| 2 | 645 | 0.73 | 0.80 | 64 | empty |
| 3 | 64 | 0.65 | 0.93 | 19 | empty |
| 4 | 60 | 0.44 | 0.83 | 16 | empty |
| 5 | 90 | 0.36 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2606 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 3PAJ · 2.00 Angstrom resolution crystal structure of a quinolinate phosphoribosyltransferase… · 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 Q9KPE6
- Elsewhere: RCSB PDB 3PAJ · PDBe 3PAJ · UniProt Q9KPE6
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