2J0T

crystal structure of the catalytic domain of mmp-1 in complex with the inhibitory domain of timp-1

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 83
  • Norm. En. per Res.: -4.0235
• Hub Node: B(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-D	-84.4101	-20.2198	-229.317	-333.9469	83	14	3	8248	2	11	5
B-C	0.0	0.0	-0.0719	-0.0719	2	0	0	9	0	0	0
B-E	-85.6088	-21.27	-220.842	-327.7208	86	17	3	8431	2	10	5
B-F	0.0	0.0	-0.4086	-0.4086	5	0	0	79	0	0	0
C-F	-88.5435	-18.2067	-220.802	-327.5522	85	13	4	8461	1	12	7

Interface residues

• A-D: ALA182A, ALA184A, ALA195A, ALA216A, ALA65D, ARG214A, ARG75D, ASN106A, ASN14D, ASN171A, ASN180A, ASN211A, ASP170A, ASP175A, ASP194A, ASP198A, CYS1D, CYS3D, CYS70D, CYS99D, GLN186A, GLN90D, GLU201A, GLU209A, GLU219A, GLU67D, GLY178A, GLY179A, GLY193A, GLY221A, GLY225A, GLY71D, HIS168A, HIS183A, HIS196A, HIS218A, HIS222A, HIS228A, ILE191A, ILE232A, LEU181A, LEU220A, LEU226A, LEU235A, LEU34D, LYS88D, MET236A, MET66D, PHE174A, PHE185A, PHE197A, PHE73D, PRO107A, PRO173A, PRO177A, PRO187A, PRO238A, PRO5D, PRO64D, PRO6D, SER100D, SER172A, SER223A, SER227A, SER229A, SER239A, SER68D, THR10D, THR230A, THR241A, THR2D, THR33D, THR97D, THR98D, TRP203A, TYR210A, TYR237A, TYR240A, TYR35D, TYR72D, VAL215A, VAL4D, VAL69D
• B-C: ARG169C, PRO266B
• B-E: ALA182B, ALA184B, ALA195B, ALA216B, ALA217B, ALA65E, ARG214B, ARG75E, ASN14E, ASN171B, ASN180B, ASN211B, ASP170B, ASP175B, ASP194B, ASP198B, CYS1E, CYS3E, CYS70E, CYS99E, GLN186B, GLN31E, GLN90E, GLU201B, GLU209B, GLU219B, GLU67E, GLY176B, GLY178B, GLY179B, GLY193B, GLY221B, GLY225B, GLY71E, HIS168B, HIS183B, HIS196B, HIS218B, HIS222B, HIS228B, HIS95E, ILE191B, LEU181B, LEU220B, LEU226B, LEU235B, LEU34E, LYS88E, MET236B, MET66E, PHE174B, PHE185B, PHE197B, PHE73E, PRO107B, PRO173B, PRO177B, PRO187B, PRO238B, PRO5E, PRO64E, PRO6E, SER100E, SER172B, SER223B, SER227B, SER229B, SER239B, SER68E, THR10E, THR230B, THR241B, THR2E, THR32E, THR33E, THR97E, THR98E, TRP203B, TYR210B, TYR237B, TYR240B, TYR35E, TYR72E, VAL215B, VAL4E, VAL69E
• B-F: ASP54F, ASP91F, GLN250B, GLY53F, GLY92F
• C-F: ALA182C, ALA184C, ALA195C, ALA216C, ALA217C, ALA65F, ARG214C, ARG75F, ASN14F, ASN171C, ASN180C, ASN211C, ASP170C, ASP175C, ASP194C, ASP198C, CYS1F, CYS3F, CYS70F, CYS99F, GLN186C, GLN31F, GLN90F, GLU201C, GLU209C, GLU219C, GLU67F, GLY178C, GLY179C, GLY193C, GLY221C, GLY225C, GLY71F, HIS168C, HIS183C, HIS196C, HIS218C, HIS222C, HIS228C, HIS77F, ILE191C, ILE232C, LEU181C, LEU220C, LEU226C, LEU235C, LEU34F, LYS88F, MET236C, MET66F, PHE174C, PHE185C, PHE197C, PHE73F, PRO107C, PRO173C, PRO177C, PRO187C, PRO238C, PRO5F, PRO64F, PRO6F, SER100F, SER172C, SER223C, SER227C, SER229C, SER239C, SER68F, THR230C, THR241C, THR2F, THR32F, THR33F, THR97F, THR98F, TRP203C, TYR210C, TYR237C, TYR240C, TYR35F, TYR72F, VAL215C, VAL4F, VAL69F