MolNFT v1 · #113134 · protein
Crystal structure of the ATTTM3 product complex with two orthophosphates and manganese ions (form B)
5A68 · Triphosphate tunel metalloenzyme 3: “Crystal structure of the ATTTM3 product complex with two orthophosphates and manganese ions (form B)”. X-ray diffraction, 2 ligands (MN, PO4), 2 pockets (best druggability 0.66). MolNFT v1…
- PDB
- 5A68
- Type
- protein
- Length
- 203 residues
- Chains
- 1
- 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
- MN, PO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triphosphate tunel metalloenzyme 3 (EC 3.6.1.3, 3.6.1.25) | protein | 203 | 31% helix, 46% strand | Q9SIY3 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 3 copies · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.66 | 0.82 | 48 | MN, PO4 |
| 2 | 50 | 0.38 | 0.81 | 14 | empty |
Compared structures
- 5A68 · Crystal structure of the AtTTM3 product complex with two orthophosphates and manganese… · 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 0.97
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 5A68 · PDBe 5A68 · UniProt Q9SIY3
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