MolNFT v1 · #90855 · protein
Structure of hisf-luca
4EVZ: “Structure of hisf-luca”. X-ray diffraction, 1 ligand (PI), 6 pockets (best druggability 0.82). MolNFT v1 #90855 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4EVZ
- Type
- protein
- Length
- 508 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hisf-luca
- Ligands
- PI
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hisf-luca | protein | 254 | 37% helix, 26% strand | — |
| B | Hisf-luca | protein | 254 | 35% helix, 26% strand | — |
Ligands and binding sites
- PI · Hydrogenphosphate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 970 | 0.82 | 0.84 | 77 | empty |
| 2 | 434 | 0.74 | 0.83 | 47 | PI |
| 3 | 345 | 0.70 | 0.83 | 51 | PI |
| 4 | 95 | 0.40 | 0.77 | 17 | empty |
| 5 | 96 | 0.37 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1675 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 4EVZ · Structure of HisF-LUCA · 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
- Elsewhere: RCSB PDB 4EVZ · PDBe 4EVZ
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