Research workbench
Crystal structure of the cert start domain (mutant V151E) from rhizobium etli at the resolution 1.8A, northeast structural genomics consortium target RER239.
Analyse Crystal structure of the cert start domain (mutant V151E) from rhizobium etli… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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