3SOC

crystal structure of activin receptor type-iia (acvr2a) kinase domain in complex with a quinazolin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 105
  • Norm. En. per Res.: -2.6532
• 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	-68.2449	-15.6351	-194.709	-278.5891	105	14	1	8673	2	39	46

Interface residues

• A-B: ALA199B, ALA209B, ALA297A, ALA301A, ARG200B, ARG202B, ARG298A, ARG363B, ARG364B, ARG478A, ARG484A, ASN-6B, ASN213B, ASN245A, ASN287A, ASN332A, ASN333A, ASP-11B, ASP225B, ASP312A, ASP427B, CYS205B, CYS290A, CYS474A, GLN193B, GLN210B, GLN224B, GLN359B, GLN421B, GLN481A, GLN483A, GLU-7B, GLU196B, GLU244A, GLU288A, GLU294A, GLU305A, GLU416B, GLU426B, GLU477A, GLY-13B, GLY-9B, GLY201B, GLY204B, GLY240A, GLY299A, GLY309A, GLY313A, GLY420B, GLY473A, GLY476A, HIS243A, HIS291A, HIS314A, HIS422B, HIS448A, ILE220B, ILE223B, ILE292A, ILE307A, LEU-10B, LEU-5B, LEU192B, LEU194B, LEU195B, LEU211B, LEU212B, LEU289A, LEU310A, LEU334A, LEU413B, LEU425B, LEU485A, LYS198B, LYS208B, LYS242A, LYS272A, LYS280B, LYS311A, LYS315A, LYS326B, LYS331A, PHE203B, PRO222B, PRO239A, PRO308A, PRO423B, SER-14B, SER285A, SER424B, THR-8B, THR295A, THR335A, THR480A, THR486A, TRP207B, TRP264B, TRP286A, TYR-4B, TYR215B, TYR302A, VAL-12B, VAL197B, VAL206B, VAL360B