MolNFT v1 · #61951 · protein
Crystal structure of a putative imidazole glycerol phosphate synthase homolog (EUBREC_1070) from eubacterium rectale at 1.75 a resolution
3E0Z · Protein of unknown function: “Crystal structure of a putative imidazole glycerol phosphate synthase homolog (EUBREC_1070) from eubacterium…”. X-ray diffraction, 3 pockets (best druggability 0.75). MolNFT v1 #61951 on GenesisL1: 3D…
- PDB
- 3E0Z
- Type
- protein
- Length
- 431 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein of unknown function
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein of unknown function | protein | 107 | 60% helix, 0% strand | — |
| B | Protein of unknown function | protein | 108 | 58% helix, 0% strand | — |
| C, D | Protein of unknown function | protein | 108 | 59% helix, 0% strand | — |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.75 | 0.79 | 68 | PEG, PG4 |
| 2 | 99 | 0.36 | 0.75 | 25 | empty |
| 3 | 69 | 0.35 | 0.77 | 11 | empty |
Interfaces
5 interfaces between chains.
- A–B · 574 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 549 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 343 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 301 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 269 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3E0Z · Crystal structure of a putative imidazole glycerol phosphate synthase homolog… · 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 3E0Z · PDBe 3E0Z
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