Research workbench
Crystal structure of agrobacterium tumefaciens ATU3138 (efi target 505157), apo structure
Analyse Crystal structure of agrobacterium tumefaciens ATU3138 (efi target 505157), apo… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MUP
- Type
- protein
- Length
- 842 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amidohydrolase
- UniProt
- A9CEQ7
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amidohydrolase | protein | 284 | 44% helix, 14% strand | A9CEQ7 |
| B | Amidohydrolase | protein | 286 | 43% helix, 14% strand | A9CEQ7 |
| C | Amidohydrolase | protein | 272 | 44% helix, 14% strand | A9CEQ7 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.74 | 0.77 | 109 | empty |
| 2 | 152 | 0.52 | 0.80 | 27 | empty |
| 3 | 159 | 0.51 | 0.79 | 29 | empty |
| 4 | 168 | 0.44 | 0.75 | 29 | empty |
| 5 | 64 | 0.39 | 0.80 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 768 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 524 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 183 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4MUP · Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure · the same entry in another collection · chain A against A, TM-score 1.00
- A9CEQ7 · AlphaFold monomer V2.0 prediction for D-galactarolactone isomerase (A9CEQ7) · a predicted model of the same protein · 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 A9CEQ7
- Elsewhere: RCSB PDB 4MUP · PDBe 4MUP · UniProt A9CEQ7
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