3N0T

human dipeptidil peptidase dpp7 complexed with inhibitor gsk237826a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 182
  • Norm. En. per Res.: -3.3459
• 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	-70.5167	25.9591	-564.388	-608.9456	182	17	3	20335	6	70	73
A-C	-4.049	-5.7961	-49.7535	-59.5986	46	5	0	2134	0	18	25
C-D	-36.0934	7.9396	-542.982	-571.1358	179	17	3	20005	3	65	67

Interface residues

• A-B: ALA136A, ALA136B, ALA139A, ALA139B, ALA180A, ALA180B, ALA193A, ALA193B, ALA406A, ALA406B, ALA407A, ALA407B, ALA475A, ALA475B, ALA476A, ALA476B, ARG108B, ARG123A, ARG123B, ARG143A, ARG143B, ARG147A, ARG147B, ARG172A, ARG172B, ARG378A, ARG378B, ARG391A, ARG391B, ARG39A, ARG39B, ARG405A, ARG405B, ARG477A, ARG477B, ARG478A, ARG478B, ARG47A, ARG47B, ASN409A, ASN409B, ASN44A, ASN44B, ASN50A, ASN50B, ASP137A, ASP137B, ASP393A, ASP393B, ASP403A, ASP403B, ASP41A, ASP41B, CYS352A, CYS352B, GLN122B, GLN133A, GLN133B, GLN350B, GLN379A, GLN379B, GLN38B, GLU127A, GLU127B, GLU132A, GLU132B, GLU140A, GLU140B, GLU354A, GLU354B, GLU46A, GLU46B, GLU479A, GLU479B, GLY124A, GLY124B, GLY387A, GLY387B, GLY401A, GLY401B, GLY402A, GLY402B, GLY49A, GLY49B, HIS125A, HIS125B, HIS177A, HIS177B, HIS42A, HIS42B, ILE355A, ILE355B, LEU128A, LEU128B, LEU129A, LEU129B, LEU135A, LEU135B, LEU141A, LEU141B, LEU142A, LEU142B, LEU171A, LEU171B, LEU178A, LEU178B, LEU195A, LEU195B, LEU383A, LEU383B, LEU395A, LEU395B, LEU396A, LEU396B, LEU404A, LEU404B, LEU40A, LEU40B, LYS174A, LYS174B, LYS51A, LYS51B, MET173A, MET173B, PHE116A, PHE116B, PHE138A, PHE138B, PHE36A, PHE399A, PHE399B, PHE43A, PHE43B, PHE45A, PHE45B, PHE48A, PHE48B, PRO155A, PRO155B, PRO176A, PRO176B, PRO390A, PRO390B, PRO392A, PRO392B, SER398A, SER398B, SER408A, SER408B, THR126A, THR126B, THR130A, THR130B, THR353A, THR353B, THR397A, THR397B, THR52A, THR52B, TRP386A, TRP386B, TRP389A, TRP389B, TRP394A, TRP394B, TRP400A, TRP400B, TRP472A, TYR109A, TYR109B, TYR170A, TYR170B, TYR175A, TYR175B, TYR349A, TYR349B, VAL131A, VAL131B, VAL179A, VAL179B, VAL388A, VAL388B
• A-C: ALA235A, ALA235C, ALA360C, ARG380A, ARG380C, ASN362C, ASP229A, ASP229C, ASP251A, ASP251C, ASP254A, ASP370A, ASP370C, ASP375A, ASP375C, GLN233A, GLN233C, GLN379A, GLU252A, GLU252C, GLU376A, GLU376C, GLY234A, GLY234C, LEU230A, LEU230C, LEU232A, LEU232C, LEU249A, LEU377A, LEU377C, LYS228A, LYS228C, LYS253A, PHE231A, PHE231C, PHE373A, PHE373C, PRO372A, PRO372C, SER250A, SER250C, THR374A, THR374C, TYR236A, TYR236C
• C-D: ALA136C, ALA136D, ALA139C, ALA139D, ALA180C, ALA180D, ALA193C, ALA193D, ALA406C, ALA406D, ALA407C, ALA407D, ALA475C, ALA475D, ALA476C, ALA476D, ARG108D, ARG123C, ARG123D, ARG143C, ARG143D, ARG147C, ARG147D, ARG172C, ARG172D, ARG378C, ARG378D, ARG391C, ARG391D, ARG39C, ARG39D, ARG405C, ARG405D, ARG477C, ARG477D, ARG478C, ARG47C, ARG47D, ASN409C, ASN409D, ASN44C, ASN44D, ASN50C, ASN50D, ASP137C, ASP137D, ASP393C, ASP393D, ASP403C, ASP403D, ASP41C, ASP41D, CYS352C, CYS352D, GLN122C, GLN122D, GLN133C, GLN133D, GLN350C, GLN350D, GLN379C, GLN379D, GLN38C, GLN38D, GLU127C, GLU127D, GLU132C, GLU132D, GLU140C, GLU140D, GLU354C, GLU354D, GLU46C, GLU46D, GLY124C, GLY124D, GLY387C, GLY387D, GLY401C, GLY401D, GLY402C, GLY402D, GLY49C, GLY49D, HIS125C, HIS125D, HIS177C, HIS177D, HIS42C, HIS42D, ILE355C, ILE355D, LEU128C, LEU128D, LEU129C, LEU129D, LEU135C, LEU135D, LEU141C, LEU141D, LEU142C, LEU142D, LEU171C, LEU171D, LEU178C, LEU178D, LEU195C, LEU195D, LEU383C, LEU383D, LEU395C, LEU395D, LEU396C, LEU396D, LEU404C, LEU404D, LEU40C, LEU40D, LYS174C, LYS174D, LYS51C, LYS51D, MET173C, MET173D, PHE116C, PHE116D, PHE138C, PHE138D, PHE399C, PHE399D, PHE43C, PHE43D, PHE45C, PHE45D, PHE48C, PHE48D, PRO155C, PRO155D, PRO176C, PRO176D, PRO390C, PRO390D, PRO392C, PRO392D, SER398C, SER398D, SER408C, SER408D, THR126C, THR126D, THR130C, THR130D, THR353C, THR353D, THR397C, THR397D, THR52C, THR52D, TRP386C, TRP386D, TRP389C, TRP389D, TRP394C, TRP394D, TRP400C, TRP400D, TYR109C, TYR109D, TYR170D, TYR175C, TYR175D, TYR349C, TYR349D, VAL131C, VAL131D, VAL179C, VAL179D, VAL388C, VAL388D