MolNFT v1 · #57525 · protein
Crystal structure analysis of the mutant CUTA1 (E61V) from E. COLI
3AA9 · Divalent-cation tolerance protein cuta: “Crystal structure analysis of the mutant CUTA1 (E61V) from E. COLI”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #57525 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3AA9
- Type
- protein
- Length
- 311 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Divalent-cation tolerance protein cuta
- UniProt
- P69488
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Divalent-cation tolerance protein cuta | protein | 104 | 36% helix, 42% strand | P69488 |
| B | Divalent-cation tolerance protein cuta | protein | 103 | 35% helix, 43% strand | P69488 |
| C | Divalent-cation tolerance protein cuta | protein | 104 | 33% helix, 42% strand | P69488 |
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 | 91 | 0.78 | 0.98 | 18 | empty |
| 2 | 172 | 0.59 | 0.82 | 19 | empty |
| 3 | 83 | 0.58 | 0.87 | 15 | empty |
| 4 | 113 | 0.57 | 0.84 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1105 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 1096 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1061 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3AA9 · Crystal Structure Analysis of the Mutant CutA1 (E61V) from E. coli · the same entry in another collection · chain B against B, TM-score 1.00
- P69488 · AlphaFold monomer V2.0 prediction for divalent-cation tolerance protein cuta (P69488) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P69488
- Elsewhere: RCSB PDB 3AA9 · PDBe 3AA9 · UniProt P69488
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