MolNFT v1 · #187869 · protein
Crystal structure of histidinol-phosphate aminotransferase from klebsiella pneumoniae subsp. pneumoniae (strain HS11286)
7SZP: “Crystal structure of histidinol-phosphate aminotransferase from klebsiella pneumoniae subsp. pneumoniae…”. X-ray diffraction, 3 ligands (PLP, CA, CL), 10 pockets (best druggability 0.81). MolNFT v1 #187869 on GenesisL1: 3D…
- PDB
- 7SZP
- Type
- protein
- Length
- 1,401 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidinol-phosphate aminotransferase
- EC
- 2.6.1.9
- UniProt
- W9BAC7
- Ligands
- PLP, CA, CL
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 353 | 41% helix, 16% strand | W9BAC7 |
| B | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 350 | 41% helix, 16% strand | W9BAC7 |
| C | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 347 | 40% helix, 16% strand | W9BAC7 |
| D | Histidinol-phosphate aminotransferase (EC 2.6.1.9) | protein | 351 | 40% helix, 16% strand | W9BAC7 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal
- CL · Chloride ion · ion · chains B
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B, C, D
- ACT · Acetate ion · additive · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 724 | 0.81 | 0.85 | 99 | EDO, ACT, PLP |
| 2 | 856 | 0.81 | 0.83 | 116 | PLP, EDO, ACT |
| 3 | 381 | 0.71 | 0.82 | 49 | PLP, ACT |
| 4 | 340 | 0.69 | 0.82 | 46 | ACT, PLP |
| 5 | 212 | 0.49 | 0.75 | 38 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3456 Ų buried · 66 hydrogen bonds · protein-protein
- C–D · 3387 Ų buried · 66 hydrogen bonds · protein-protein
- B–D · 52 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 41 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 19 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7SZP · Crystal Structure of Histidinol-phosphate aminotransferase from Klebsiella pneumoniae… · 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 W9BAC7
- Elsewhere: RCSB PDB 7SZP · PDBe 7SZP · UniProt W9BAC7
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