Ligand name: Phosphoaminophosphonic Acid-Adenylate Ester
PDB ligand accession: A0P
DrugBank: DB04395
InChI Key: PVKSNHVPLWYQGJ-FCIPNVEPSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P53779	Download	Predicted	P53779_F1_nD1	Protein kinase/SAICAR synthase/ATP-grasp
1JNK		Predicted	e1jnkA1
1PMN		Predicted	e1pmnA1
1PMU		Predicted	e1pmuA1
1PMV		Predicted	e1pmvA1
2B1P		Predicted	e2b1pA1
2EXC		Predicted	e2excX1
2O0U		Predicted	e2o0uA1
2O2U		Predicted	e2o2uA1
2OK1		Predicted	e2ok1A1
2P33		Predicted	e2p33A1
2R9S		Predicted	e2r9sA1 e2r9sB1
2WAJ		Predicted	e2wajA1
2ZDT		Predicted	e2zdtA1
2ZDU		Predicted	e2zduA1
3CGF		Predicted	e3cgfA1
3CGO		Predicted	e3cgoA1
3DA6		Predicted	e3da6A1
3FI2		Predicted	e3fi2A1
3FI3		Predicted	e3fi3A2
3FV8		Predicted	e3fv8A1
3G90		Predicted	e3g90X1
3G9L		Predicted	e3g9lX1
3G9N		Predicted	e3g9nA1
3KVX		Predicted	e3kvxA1
3OXI		Predicted	e3oxiA1
3OY1		Predicted	e3oy1A1
3PTG		Predicted	e3ptgA1
3RTP		Predicted	e3rtpA1
3TTI		Predicted	e3ttiA2
3TTJ		Predicted	e3ttjA2
3V6R		Predicted	e3v6rA2 e3v6rB2
3V6S		Predicted	e3v6sB2 e3v6sA2
4H36		Predicted	e4h36A1
4H39		Predicted	e4h39A2
4H3B		Predicted	e4h3bC2 e4h3bA2
4KKE		Predicted	e4kkeA1
4KKG		Predicted	e4kkgA1
4KKH		Predicted	e4kkhA1
4U79		Predicted	e4u79A1
4W4V		Predicted	e4w4vA1
4W4W		Predicted	e4w4wA1
4W4X		Predicted	e4w4xA1
4W4Y		Predicted	e4w4yA1
4WHZ		Predicted	e4whzA1
4X21		Predicted	e4x21B1 e4x21A1
4Y46		Predicted	e4y46A1
4Y5H		Predicted	e4y5hA1
4Z9L		Predicted	e4z9lA1
6EKD		Predicted	e6ekdA1
6EMH		Predicted	e6emhA1 e6emhB1 e6emhC1 e6emhD1
6EQ9		Predicted	e6eq9A1 e6eq9B1