3KZE

crystal structure of t-cell lymphoma invasion and metastasis-1 pdz in complex with ssrkeyya peptide

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 49
  • Norm. En. per Res.: -5.1329
• Hub Node: A(3)

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	-16.5047	-16.8943	-153.334	-186.733	68	3	1	6189	1	14	17
A-C	-9.7384	-19.8392	-139.896	-169.4735	66	4	0	5307	1	16	21
A-D	-4.9753	0.9101	-27.9256	-31.9908	15	0	0	1033	0	6	4
B-D	-94.8672	1.9602	-158.605	-251.5121	49	13	7	5402	0	10	6
C-E	-55.7192	-7.9185	-135.374	-199.0117	44	12	6	4874	0	9	7

Interface residues

• A-B: ALA838B, ALA854A, ALA891B, ALA902A, ALA903A, ALA905A, ARG871A, ARG872B, ARG901A, ARG925B, ASN876B, ASN899A, ASN900A, ASN907A, ASP852A, ASP893B, ASP904A, ASP913A, GLN917A, GLU849A, GLU866B, GLU867B, GLU880B, GLU894B, GLU929B, GLY840B, GLY888B, GLY892B, GLY921A, HIS844B, HIS847A, ILE848A, ILE898A, LEU862B, LEU873B, LEU889B, LEU906A, LEU911A, LEU920A, LEU930B, LYS841B, LYS850A, LYS879B, LYS890B, LYS912A, MET839B, MET910A, PHE914A, PRO918A, PRO928B, SER851A, SER861B, SER863B, SER864B, SER877B, SER908A, SER909A, SER916A, SER919A, THR853A, THR926B, TYR858A, TYR874B, TYR927B, VAL842B, VAL865B, VAL875B, VAL878B
• A-C: ALA838A, ALA855C, ALA891A, ALA902C, ALA905C, ARG871A, ARG872A, ARG901C, ARG925A, ASN876A, ASN899C, ASN900C, ASN907C, ASP852C, ASP893A, ASP913C, GLN917C, GLU849C, GLU866A, GLU867A, GLU880A, GLU894A, GLU929A, GLY840A, GLY888A, GLY892A, GLY921C, HIS844A, HIS847C, ILE848C, ILE898C, LEU862A, LEU873A, LEU889A, LEU906C, LEU911C, LEU920C, LEU930A, LYS841A, LYS850C, LYS879A, LYS890A, LYS912C, MET839A, MET910C, PHE914C, PRO918C, PRO928A, SER851C, SER861A, SER863A, SER864A, SER877A, SER885A, SER908C, SER909C, SER916C, SER919C, THR926A, TYR858C, TYR874A, TYR927A, VAL842A, VAL865A, VAL875A, VAL878A
• A-D: ARG3D, ASP852A, GLN917A, GLU5D, GLU849A, HIS847A, ILE848A, LEU920A, LYS4D, LYS850A, PRO918A, SER2D, SER851A, SER919A, TYR858A
• B-D: ALA884B, ALA8D, ARG3D, ARG871B, ARG872B, ASN876B, ASN907B, ASP856B, ASP868B, ASP913B, GLN917B, GLU5D, GLU866B, GLU867B, GLY859B, GLY869B, ILE848B, ILE870B, ILE898B, LEU862B, LEU873B, LEU883B, LEU889B, LEU911B, LEU915B, LEU920B, LEU922B, LYS4D, LYS850B, LYS879B, LYS912B, MET910B, PHE860B, PHE914B, SER2D, SER861B, SER863B, SER864B, SER877B, SER908B, SER909B, SER916B, THR857B, TYR6D, TYR7D, TYR858B, TYR874B, VAL865B, VAL875B
• C-E: ALA884C, ALA8E, ARG3E, ARG871C, ARG872C, ASN876C, ASN907C, ASP856C, ASP913C, GLN917C, GLU5E, GLU866C, GLY859C, ILE848C, ILE898C, LEU862C, LEU873C, LEU883C, LEU889C, LEU911C, LEU915C, LEU920C, LEU922C, LYS4E, LYS850C, LYS879C, LYS912C, MET910C, PHE860C, PHE914C, SER861C, SER863C, SER864C, SER877C, SER908C, SER909C, SER916C, THR857C, TYR6E, TYR7E, TYR858C, TYR874C, VAL865C, VAL875C