MolNFT v1 · #61138 · protein
Crystal structure of the putative histidinol phosphatase hisk from listeria monocytogenes. northeast structural genomics consortium target LMR141.
3DCP · Histidinol-phosphatase: “Crystal structure of the putative histidinol phosphatase hisk from listeria monocytogenes. northeast…”. X-ray diffraction, 2 ligands (FE, ZN), 8 pockets (best druggability 0.69). MolNFT v1 #61138 on…
- PDB
- 3DCP
- Type
- protein
- Length
- 821 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidinol-phosphatase
- EC
- 3.1.3.15
- UniProt
- Q4EIC3
- Ligands
- FE, ZN
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidinol-phosphatase (EC 3.1.3.15) | protein | 277 | 47% helix, 17% strand | Q4EIC3 |
| B | Histidinol-phosphatase (EC 3.1.3.15) | protein | 272 | 44% helix, 18% strand | Q4EIC3 |
| C | Histidinol-phosphatase (EC 3.1.3.15) | protein | 272 | 45% helix, 18% strand | Q4EIC3 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B, C
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 617 | 0.69 | 0.78 | 74 | ZN |
| 2 | 187 | 0.61 | 0.83 | 27 | FE |
| 3 | 264 | 0.60 | 0.80 | 32 | FE |
| 4 | 261 | 0.55 | 0.77 | 33 | empty |
| 5 | 65 | 0.45 | 0.83 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–C · 486 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 331 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 modified (engineered).
Compared structures
- 3DCP · Crystal structure of the putative histidinol phosphatase hisK from Listeria… · 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 Q4EIC3
- Elsewhere: RCSB PDB 3DCP · PDBe 3DCP · UniProt Q4EIC3
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