Research workbench
Crystal structure of mycobacterium smegmatis amtr
Analyse Crystal structure of mycobacterium smegmatis amtr in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5E57
- Type
- protein
- Length
- 618 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator amtr
- UniProt
- A0R089
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 3 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription regulator amtr | protein | 211 | 72% helix, 0% strand | A0R089 |
| B | Transcription regulator amtr | protein | 200 | 74% helix, 0% strand | A0R089 |
| C | Transcription regulator amtr | protein | 207 | 71% helix, 0% strand | A0R089 |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.45 | 0.76 | 20 | empty |
| 2 | 115 | 0.45 | 0.78 | 20 | empty |
| 3 | 88 | 0.38 | 0.76 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 409 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 408 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 408 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 5E57 · Crystal structure of Mycobacterium smegmatis AmtR · 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 A0R089
- Elsewhere: RCSB PDB 5E57 · PDBe 5E57 · UniProt A0R089
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