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MolNFT v1 · #113133 · protein

Crystal structure of ATTTM3 in complex with tripolyphosphate and manganese ion (form B)

5A67 · Triphosphate tunel metalloenzyme 3: “Crystal structure of ATTTM3 in complex with tripolyphosphate and manganese ion (form B)”. X-ray diffraction, 2 ligands (3PO, MN), 1 pocket (best druggability 0.66). MolNFT v1 #113133 on…

PDB
5A67
Type
protein
Length
206 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
3PO, MN
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATriphosphate tunel metalloenzyme 3 (EC 3.6.1.3, 3.6.1.25)protein20631% helix, 46% strandQ9SIY3

Ligands and binding sites

  • 3PO · Triphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13420.660.8145MN, 3PO

Compared structures

  • 5A67 · Crystal structure of AtTTM3 in complex with tripolyphosphate and manganese ion (form B) · 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 0.96

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