3LOO

crystal structure of anopheles gambiae adenosine kinase in complex with p1,p4-di(adenosine-5) tetraphosphate

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 53
  • Norm. En. per Res.: -4.9727
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-82.0538	-43.5373	-137.962	-263.553	53	15	1	4892	4	22	23
B-C	-33.4225	-13.7153	-106.035	-153.1727	65	12	0	4583	2	27	21

Interface residues

• A-B: ALA115A, ALA139A, ALA248B, ALA274B, ALA95A, ARG113A, ARG240B, ARG280B, ARG96A, ASN136A, ASN278B, ASP238B, ASP277B, ASP317B, ASP92A, GLN50A, GLN91A, GLU241B, GLU281B, GLU54A, GLU93A, GLY120A, GLY275B, GLY90A, ILE19A, ILE272B, ILE53A, ILE97A, LEU17A, LEU270B, LEU271B, LYS244B, LYS257B, LYS321B, PHE282B, PRO118A, PRO268B, PRO283B, PRO47A, SER114A, SER117A, THR116A, THR119A, THR121A, THR276B, THR315B, TYR49A, TYR60A, TYR94A, VAL269B, VAL279B, VAL316B, VAL318B
• B-C: ALA155B, ALA160B, ALA184B, ALA186B, ALA227C, ARG154B, ARG189B, ARG5B, ARG79B, ARG81B, ASN108B, ASN153B, ASN206C, ASN207C, ASN233C, ASN29C, ASN37C, ASP151B, ASP32C, ASP6B, GLN110B, GLN158B, GLN161B, GLN202C, GLN34C, GLU183B, GLU209C, GLU231C, GLU237C, GLU42C, GLY152B, GLY159B, GLY188B, GLY7B, HIS45C, ILE226C, ILE39C, ILE84B, LEU157B, LEU208C, LEU228C, LEU40C, LEU4B, LYS205C, LYS230C, LYS255B, LYS44C, MET33C, MET8B, PHE199C, PHE203C, PHE232C, PRO198C, PRO201C, PRO35C, PRO80B, SER150B, THR171C, THR187B, THR82B, TYR156B, TYR204C, TYR31C, VAL109B, VAL200C