Research workbench
Structure of cuta from synechococcus elongatus PCC7942 complexed with 3 molecules of bis-tris
Analyse Structure of cuta from synechococcus elongatus PCC7942 complexed with 3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GDX
- Type
- protein
- Length
- 323 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Periplasmic divalent cation tolerance protein
- UniProt
- Q31KX8
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Periplasmic divalent cation tolerance protein | protein | 107 | 35% helix, 42% strand | Q31KX8 |
| B | Periplasmic divalent cation tolerance protein | protein | 108 | 34% helix, 42% strand | Q31KX8 |
| C | Periplasmic divalent cation tolerance protein | protein | 108 | 33% helix, 42% strand | Q31KX8 |
Ligands and binding sites
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 342 | 0.86 | 0.95 | 36 | empty |
| 2 | 113 | 0.60 | 0.85 | 14 | BTB |
| 3 | 154 | 0.58 | 0.82 | 18 | BTB |
| 4 | 129 | 0.56 | 0.83 | 20 | BTB |
Interfaces
3 interfaces between chains.
- B–C · 1167 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1147 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1088 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6GDX · Structure of CutA from Synechococcus elongatus PCC7942 complexed with 3 molecules of… · 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 Q31KX8
- Elsewhere: RCSB PDB 6GDX · PDBe 6GDX · UniProt Q31KX8
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