3LJZ

crystal structure of human mmp-13 complexed with an amino-2-indanol compound

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 90
  • Norm. En. per Res.: -2.2974
• 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	0.0	0.2527	-45.699	-45.4463	35	1	1	2528	0	4	7
A-D	-43.9973	44.146	-195.244	-195.0953	90	6	3	7859	4	49	35
B-C	-47.4925	28.0257	-187.3	-206.7668	90	7	3	7635	4	51	37
B-D	-9.984	-1.7899	-38.8872	-50.6611	36	4	0	1790	0	7	9
C-D	0.0	-12.6717	-13.898	-26.5697	28	0	1	923	2	5	4

Interface residues

• A-B: ALA161A, ALA238B, ARG121A, ARG155A, ASN117A, ASN152A, ASP158A, ASP162A, ASP235B, ASP257B, GLY159A, GLY183B, GLY237B, HIS157A, ILE160A, ILE243B, LEU118A, LEU156A, LEU185B, LYS115A, LYS234B, MET116A, PHE153A, PHE241B, PRO236B, PRO242B, SER114A, SER182B, THR119A, THR154A, THR245B, TYR120A, TYR214B, TYR244B, TYR246B
• A-D: ALA161A, ALA161D, ARG121A, ARG121D, ARG155A, ARG155D, ASN124A, ASN124D, ASP128A, ASP128D, ASP158A, ASP158D, ASP174A, ASP174D, ASP198A, ASP198D, ASP202A, ASP202D, ASP203A, ASP203D, ASP204A, ASP204D, GLU133A, GLU133D, GLU135A, GLU135D, GLU171A, GLU171D, GLU205A, GLU205D, GLY159A, GLY159D, GLY168A, GLY168D, GLY173A, GLY173D, GLY180A, GLY180D, HIS131A, HIS131D, HIS157A, HIS157D, HIS172A, HIS172D, HIS200A, HIS200D, ILE122A, ILE122D, ILE160A, ILE160D, ILE165A, ILE165D, ILE169A, ILE169D, LYS170A, LYS170D, MET129A, MET129D, MET164A, MET164D, PHE167A, PHE167D, PHE175A, PHE175D, PHE201A, PHE201D, PRO127A, PRO127D, PRO177A, PRO177D, PRO181A, PRO181D, SER132A, SER132D, SER166A, SER166D, THR126A, THR126D, THR130A, THR130D, THR206A, THR206D, TYR125A, TYR125D, TYR195A, TYR195D, VAL123A, VAL123D, VAL134A, VAL134D
• B-C: ALA161B, ALA161C, ARG121B, ARG121C, ARG155B, ARG155C, ASN124B, ASN124C, ASP128B, ASP128C, ASP158B, ASP158C, ASP174B, ASP174C, ASP198B, ASP198C, ASP202B, ASP202C, ASP203B, ASP203C, ASP204B, ASP204C, GLU133B, GLU133C, GLU135B, GLU135C, GLU171B, GLU171C, GLU205B, GLU205C, GLY159B, GLY159C, GLY168B, GLY168C, GLY173B, GLY173C, GLY180B, GLY180C, HIS131B, HIS131C, HIS157B, HIS157C, HIS172B, HIS172C, HIS200B, HIS200C, ILE122B, ILE122C, ILE160B, ILE160C, ILE165B, ILE165C, ILE169B, ILE169C, LEU156C, LYS170B, LYS170C, MET129B, MET129C, MET164B, MET164C, PHE167B, PHE167C, PHE175B, PHE175C, PHE201B, PHE201C, PRO127B, PRO127C, PRO177B, PRO181B, PRO181C, SER132B, SER132C, SER166B, SER166C, THR126B, THR126C, THR130B, THR130C, THR206B, THR206C, TYR125B, TYR125C, TYR195B, TYR195C, VAL123B, VAL123C, VAL134B, VAL134C
• B-D: ASN215D, ASP128B, ASP128D, ASP179B, ASP204B, ASP204D, GLU205B, GLU205D, GLY180B, GLY180D, GLY183B, GLY183D, GLY213B, GLY213D, LEU184B, LEU185B, LEU185D, LYS170B, LYS212B, LYS212D, PHE178B, PRO181B, PRO181D, SER182B, SER182D, SER210D, SER211D, THR206B, THR206D, THR208B, THR208D, TRP207B, TRP207D, TYR214B, TYR214D, TYR244D
• C-D: ALA161C, ARG121C, ASN194C, ASP158C, ASP162C, GLY159C, GLY213D, GLY237D, GLY248D, HIS157C, ILE160C, ILE243D, LEU156C, LYS115C, LYS212D, LYS249D, PHE241D, PRO193C, PRO236D, SER114C, SER210D, SER211D, THR119C, THR245D, THR247D, TYR214D, TYR244D, TYR246D