MolNFT v1 · #27540 · protein
Crystal structure of pure (BA0288) from bacillus anthracis at 1.8 resolution
1XMP · Phosphoribosylaminoimidazole carboxylase: “Crystal structure of pure (BA0288) from bacillus anthracis at 1.8 resolution”. X-ray diffraction, 16 pockets (best druggability 0.85). MolNFT v1 #27540 on GenesisL1: 3D structure, binding…
- PDB
- 1XMP
- Type
- protein
- Length
- 1,270 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoribosylaminoimidazole carboxylase
- EC
- 4.1.1.21
- UniProt
- Q81ZH8
- Pockets
- 16 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E | Phosphoribosylaminoimidazole carboxylase (EC 4.1.1.21) | protein | 155 | 48% helix, 16% strand | Q81ZH8 |
| B | Phosphoribosylaminoimidazole carboxylase (EC 4.1.1.21) | protein | 157 | 48% helix, 15% strand | Q81ZH8 |
| C, G | Phosphoribosylaminoimidazole carboxylase (EC 4.1.1.21) | protein | 164 | 48% helix, 14% strand | Q81ZH8 |
| F, H | Phosphoribosylaminoimidazole carboxylase (EC 4.1.1.21) | protein | 160 | 48% helix, 14% strand | Q81ZH8 |
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.85 | 0.89 | 42 | empty |
| 2 | 449 | 0.65 | 0.78 | 60 | empty |
| 3 | 345 | 0.64 | 0.79 | 34 | empty |
| 4 | 346 | 0.61 | 0.78 | 38 | empty |
| 5 | 311 | 0.61 | 0.78 | 33 | empty |
Interfaces
16 interfaces between chains.
- C–D · 1886 Ų buried · 36 hydrogen bonds · protein-protein
- G–H · 1870 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 1844 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 1772 Ų buried · 35 hydrogen bonds · protein-protein
- B–C · 1003 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1XMP · Crystal Structure of PurE (BA0288) from Bacillus anthracis at 1.8 Resolution · 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 Q81ZH8
- Elsewhere: RCSB PDB 1XMP · PDBe 1XMP · UniProt Q81ZH8
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