MolNFT v1 · #113132 · protein
Crystal structure of ATTTM3 in complex with tripolyphosphate and manganese ion (form a)
5A66 · Triphosphate tunel metalloenzyme 3: “Crystal structure of ATTTM3 in complex with tripolyphosphate and manganese ion (form a)”. X-ray diffraction, 2 ligands (3PO, MN), 3 pockets (best druggability 0.74). MolNFT v1 #113132 on…
- PDB
- 5A66
- Type
- protein
- Length
- 422 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triphosphate tunel metalloenzyme 3
- EC
- 3.6.1.3, 3.6.1.25
- UniProt
- Q9SIY3
- Ligands
- 3PO, MN
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triphosphate tunel metalloenzyme 3 (EC 3.6.1.3, 3.6.1.25) | protein | 211 | 30% helix, 44% strand | Q9SIY3 |
Ligands and binding sites
- 3PO · Triphosphate · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 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 | 568 | 0.74 | 0.82 | 65 | EDO |
| 2 | 337 | 0.70 | 0.83 | 42 | 3PO, MN |
| 3 | 291 | 0.68 | 0.83 | 43 | 3PO, MN |
Interfaces
1 interface between chains.
- A–B · 699 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5A66 · Crystal structure of AtTTM3 in complex with tripolyphosphate and manganese ion (form A) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SIY3 · AlphaFold monomer V2.0 prediction for triphosphate tunnel metalloenzyme 3 (Q9SIY3) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9SIY3
- Elsewhere: RCSB PDB 5A66 · PDBe 5A66 · UniProt Q9SIY3
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