MolNFT v1 · #75587 · protein
Crystal structure of the cert start domain (mutant V151E) from rhizobium etli at the resolution 1.8A, northeast structural genomics consortium target RER239.
3PUT · Hypothetical conserved protein: “Crystal structure of the cert start domain (mutant V151E) from rhizobium etli at the resolution 1.8A…”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #75587 on GenesisL1: 3D…
- PDB
- 3PUT
- Type
- protein
- Length
- 305 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical conserved protein
- UniProt
- Q2K7I2
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical conserved protein | protein | 150 | 25% helix, 47% strand | Q2K7I2 |
| B | Hypothetical conserved protein | protein | 155 | 25% helix, 48% strand | Q2K7I2 |
Ligands and binding sites
- HEZ · Hexane-1,6-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.71 | 0.82 | 32 | HEZ |
| 2 | 334 | 0.68 | 0.82 | 32 | HEZ |
| 3 | 168 | 0.57 | 0.82 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1055 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3PUT · Crystal Structure of the CERT START domain (mutant V151E) from Rhizobium etli at the… · 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 Q2K7I2
- Elsewhere: RCSB PDB 3PUT · PDBe 3PUT · UniProt Q2K7I2
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