2DJF

crystal structure of human dipeptidyl peptidase i (cathepsin c) in complex with the inhibitor gly-phe-chn2

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 181
  • Norm. En. per Res.: -7.2232
• Hub Node: A(2)

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	-38.9606	-35.6027	-264.27	-338.8333	97	8	8	9362	3	12	15
A-C	0.0	0.0	-81.6179	-81.6179	33	1	4	3179	0	1	1
B-C	-288.7838	10.0719	-1028.69	-1307.4019	181	33	38	35744	3	36	37

Interface residues

• A-B: ALA271B, ALA287B, ALA349B, ALA4A, ALA79A, ARG26A, ARG315B, ASN29A, ASN65A, ASP104A, ASP1A, ASP1A5, ASP27A, ASP289B, ASP48A, CB6.599649.44687, CYS112A, CYS274B, CYS30A, CYS6A, GLN25A, GLN269B, GLN272B, GLN288B, GLN66A, GLU275B, GLU320B, GLU351B, GLU69A, GLU85A, GLY100A, GLY107A, GLY232B, GLY273B, GLY276B, GLY277B, GLY284B, GLY291B, GLY325B, GLY326B, GLY329B, GLY330B, GLY67A, HIS103A, HIS322B, HIS59A, ILE282B, ILE62A, ILE63A, ILE70A, LEU106A, LEU11A, LEU281B, LEU292B, LEU47A, LYS285B, LYS46A, LYS76A, MET98A, PHE113A, PHE278B, PHE290B, PHE327B, PHE60A, PHE68A, PHE78A, PHE80A, PRO279B, PRO3A, SER268B, SER318B, SER319B, SER31A, THR2A, THR61A, THR7A, THR99A, TRP101A, TRP110A, TRP77A, TYR235B, TYR270B, TYR280B, TYR286B, TYR317B, TYR321B, TYR323B, TYR328B, TYR64A, TYR75A, TYR83A, TYR8A, VAL102A, VAL105A, VAL28A, VAL32A, VAL71A
• A-C: ALA425C, ALA4A, ASN374C, ASN380C, ASN5A, ASN65A, ASP10A, ASP1A, ASP48A, CYS6A, GLN66A, GLU377C, ILE429C, ILE62A, ILE63A, LEU11A, LEU12A, LEU378C, LEU47A, LEU9A, LYS46A, PHE373C, PHE376C, PHE60A, PRO372C, PRO375C, SER428C, THR379C, THR61A, THR7A, TYR64A, TYR8A, VAL431C
• B-C: ALA229B, ALA238B, ALA245B, ALA283B, ALA287B, ALA334B, ALA347B, ALA349B, ALA382C, ALA393C, ALA425C, ALA430C, ALA432C, ALA433C, ARG214B, ARG226B, ARG246B, ARG248B, ARG315B, ARG416C, ARG418C, ARG419C, ASN215B, ASN220B, ASN227B, ASN252B, ASN332B, ASN374C, ASN380C, ASN403C, ASN412C, ASP212B, ASP355B, ASP391C, ASP397C, ASP422C, CYS231B, CYS234B, CYS313B, CYS331B, CYS424C, GLN228B, GLN255B, GLN288B, GLU244B, GLU294B, GLU320B, GLU333B, GLU339B, GLU351B, GLU377C, GLU411C, GLU423C, GLU427C, GLY232B, GLY241B, GLY277B, GLY284B, GLY325B, GLY326B, GLY329B, GLY330B, GLY344B, GLY362B, GLY387C, GLY389C, GLY395C, GLY406C, GLY408C, GLY410C, GLY413C, GLY420C, HIS322B, HIS342B, HIS343B, HIS358B, HIS365B, HIS366B, HIS381C, ILE247B, ILE249B, ILE258B, ILE282B, ILE363B, ILE400C, ILE417C, ILE426C, ILE429C, ILE436C, LEU207B, LEU243B, LEU250B, LEU259B, LEU281B, LEU292B, LEU335B, LEU338B, LEU340B, LEU357B, LEU378C, LEU384C, LEU385C, LEU439C, LYS285B, LYS337B, LYS360B, LYS361B, LYS402C, LYS438C, MET240B, MET242B, MET336B, MET346B, MET396C, PHE221B, PHE237B, PHE278B, PHE314B, PHE327B, PHE350B, PHE356B, PHE373C, PHE376C, PHE415C, PRO208B, PRO224B, PRO257B, PRO279B, PRO345B, PRO375C, PRO435C, PRO437C, SER210B, SER223B, SER233B, SER236B, SER239B, SER254B, SER318B, SER319B, SER392C, SER394C, SER404C, SER428C, THR209B, THR251B, THR367B, THR379C, THR390C, THR407C, THR421C, THR434C, TRP211B, TRP213B, TRP399C, TRP405C, TRP409C, TYR235B, TYR280B, TYR316B, TYR317B, TYR321B, TYR323B, TYR328B, TYR353B, TYR359B, TYR364B, TYR388C, TYR398C, TYR414C, VAL216B, VAL222B, VAL225B, VAL324B, VAL341B, VAL348B, VAL352B, VAL383C, VAL386C, VAL401C, VAL431C