3KRY

crystal structure of mmp-13 in complex with sc-78080

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 90
  • Norm. En. per Res.: -3.0483
• 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	0.0	-14.7966	-14.7966	13	0	0	432	0	0	4
A-D	-38.0161	0.0	-236.331	-274.3471	90	4	7	8762	0	6	7
B-C	0.0	-14.2667	-28.8477	-43.1144	29	1	0	1143	0	7	9
B-D	-28.3026	22.4323	-196.467	-202.3373	89	6	3	7546	4	51	37
C-D	0.0	9.626	-26.5953	-16.9693	27	0	0	1158	0	14	18

Interface residues

• A-B: ASP174A, ASP174B, GLU171A, GLU171B, GLY173A, GLY173B, HIS172A, HIS172B, LYS170A, PHE175A, PHE175B, PRO177A, PRO177B
• A-D: ALA188A, ALA238A, ALA238D, ARG109A, ARG109D, ASN105A, ASN105D, ASN194A, ASP174A, ASP174D, ASP231A, ASP231D, ASP235A, ASP235D, ASP256A, ASP256D, ASP257A, ASP257D, ASP258A, ASP258D, GLN260A, GLN260D, GLN263A, GLU171A, GLU171D, GLY173A, GLY173D, GLY192A, GLY196A, GLY225A, GLY225D, GLY229A, GLY229D, GLY261A, GLY261D, HIS172A, HIS172D, HIS226A, HIS226D, HIS232A, HIS232D, ILE262A, ILE262D, LEU111A, LEU111D, LEU184D, LEU228A, LEU228D, LEU230A, LEU230D, LEU265A, LEU265D, LYS112A, LYS234A, LYS234D, MET240A, MET240D, PHE107A, PHE107D, PHE175A, PHE175D, PHE189A, PHE189D, PRO108A, PRO108D, PRO177A, PRO177D, PRO190A, PRO190D, PRO191A, PRO191D, PRO193A, SER227A, SER233A, SER233D, SER264A, SER264D, THR110A, THR110D, TYR104A, TYR104D, TYR176A, TYR176D, TYR195A, TYR195D, TYR266A, VAL106A, VAL106D, VAL259A, VAL259D
• B-C: ASN152C, ASP128B, ASP147C, GLU133B, GLY213B, GLY248C, HIS131B, HIS251C, LEU151C, LYS143C, LYS212B, LYS249C, MET129B, MET253C, PHE252C, PRO127B, PRO150C, SER146C, SER210B, SER211B, SER250C, THR126B, THR130B, THR149C, THR206B, THR208B, TYR125B, VAL134B, VAL148C
• B-D: ALA161B, ALA161D, ARG121B, ARG121D, ARG155B, ARG155D, ASN124B, ASN124D, ASN194B, ASP128B, ASP128D, ASP158B, ASP158D, ASP174B, ASP174D, ASP198B, ASP198D, ASP202B, ASP202D, ASP203B, ASP203D, ASP204B, ASP204D, GLU133B, GLU133D, GLU135B, GLU135D, GLU171B, GLU171D, GLU205B, GLU205D, GLY159B, GLY159D, GLY168B, GLY168D, GLY173B, GLY173D, GLY180B, GLY180D, HIS131B, HIS131D, HIS157B, HIS157D, HIS172B, HIS172D, HIS200B, HIS200D, ILE122B, ILE122D, ILE160B, ILE160D, ILE165B, ILE165D, ILE169B, ILE169D, LYS170B, LYS170D, MET129B, MET129D, MET164B, MET164D, PHE167B, PHE167D, PHE175B, PHE175D, PRO127B, PRO127D, PRO177B, PRO177D, PRO181B, PRO181D, SER132B, SER132D, SER166B, SER166D, THR126B, THR126D, THR130B, THR130D, THR206B, THR206D, TYR125B, TYR125D, TYR195B, TYR195D, VAL123B, VAL123D, VAL134B, VAL134D
• C-D: ARG155D, ASP158D, GLU133C, GLU133D, GLU135D, GLY248C, HIS131D, HIS157D, HIS251C, LEU156D, LYS136C, LYS136D, LYS139D, LYS140C, LYS249C, SER132C, SER132D, SER209C, SER210C, SER211C, SER250C, THR130C, THR130D, THR154D, TYR125D, TYR246C, VAL134D