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MolNFT v1 · #175890 · protein

ATP complex with double mutant cyclic trinucleotide synthase cdnd

7D4U · Cyclic AMP-AMP-gmp synthase: “ATP complex with double mutant cyclic trinucleotide synthase cdnd”. X-ray diffraction, 1 ligand (ATP), 2 pockets (best druggability 0.74). MolNFT v1 #175890 on GenesisL1: 3D structure, binding sites and…

PDB
7D4U
Type
protein
Length
342 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclic AMP-AMP-gmp synthase
EC
2.7.7.-
UniProt
P0DSP4
Ligands
ATP
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyclic AMP-AMP-gmp synthase (EC 2.7.7.-)protein34248% helix, 12% strandP0DSP4

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18420.740.7857ATP
2550.350.7812empty

Compared structures

  • 7D4U · ATP complex with double mutant cyclic trinucleotide synthase CdnD · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DSP4 · AlphaFold monomer V2.0 prediction for cyclic AMP-AMP-gmp synthase (P0DSP4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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