1OS2

ternary enzyme-product-inhibitor complexes of human mmp12

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 68
  • Norm. En. per Res.: -2.9156
• 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	-65.0571	-2.9238	-130.282	-198.2628	68	15	0	5369	0	22	21
A-C	0.0	7.9805	-1.7287	6.2518	9	0	0	200	0	6	4
B-C	-58.1565	-1.1032	-156.624	-215.8837	78	35	0	6864	0	23	20
B-E	-13.2167	5.1295	-82.6337	-90.7209	73	4	0	4474	0	26	14
D-E	-64.6126	-4.8635	-131.696	-201.172	70	9	0	5341	0	22	21
D-F	0.0	8.3848	-1.8942	6.4906	7	0	0	192	0	6	3
E-F	-59.0518	-2.2098	-144.406	-205.6676	80	32	0	6734	0	23	18

Interface residues

• A-B: ALA167B, ALA173B, ALA182B, ALA184A, ALA184B, ALA216B, ALA234B, ARG110A, ASN211B, ASP171A, ASP171B, ASP175B, ASP198B, ASP200B, ASP231A, GLU201B, GLU219B, GLY106A, GLY166B, GLY176B, GLY178B, GLY179B, GLY186A, GLY225A, GLY227A, HIS172A, HIS172B, HIS183A, HIS183B, HIS196B, HIS218B, HIS222A, HIS222B, HIS228A, HIS228B, ILE180B, LEU181B, LEU212B, LEU214B, LEU226A, LEU261A, LYS177B, LYS241B, MET104A, MET105A, MET236A, MET236B, PHE174B, PHE185A, PHE197B, PHE202B, PHE237B, PRO107A, PRO187A, PRO232B, PRO238A, PRO238B, SER229A, SER230A, SER260A, THR210B, THR215B, THR239B, TRP203B, TYR240B, VAL108A, VAL217B, VAL235B
• A-C: ALA167C, ARG165C, ARG256A, ASP200C, GLN259A, GLU199C, LYS266A, PRO123C, SER260A
• B-C: ALA167C, ALA173C, ALA182C, ALA184B, ALA184C, ALA216C, ARG110B, ASN211C, ASP171B, ASP175C, ASP198C, ASP200C, GLU201C, GLU219C, GLY106B, GLY176C, GLY178C, GLY179C, GLY186B, GLY188B, GLY208C, GLY209C, GLY221B, GLY225B, GLY227B, GLY257B, HIS172B, HIS183B, HIS183C, HIS196C, HIS218C, HIS222B, HIS222C, HIS228B, HIS228C, ILE180C, ILE220C, LEU181C, LEU212C, LEU214C, LEU224B, LEU226B, LEU261B, LYS177C, LYS241C, MET104B, MET105B, MET236B, MET236C, PHE174C, PHE185B, PHE197C, PHE202C, PHE213C, PHE237C, PHE248C, PRO107B, PRO187B, PRO232C, PRO238B, PRO238C, SER189B, SER207C, SER229B, SER230B, SER260B, THR210C, THR215C, THR239C, TRP109B, TRP203C, TYR240C, TYR242C, TYR262B, VAL108B, VAL217C, VAL235C, VAL243C
• B-E: ALA157B, ALA157E, ALA164B, ALA164E, ALA167B, ALA167E, ARG117B, ARG117E, ARG127B, ARG127E, ARG165B, ARG165E, ASN119B, ASN119E, ASN120B, ASN120E, ASN126B, ASN126E, ASN153B, ASN153E, ASP124B, ASP124E, ASP170B, ASP170E, ASP194B, ASP194E, GLU128E, GLU199B, GLU199E, GLY155B, GLY155E, GLY166B, GLY166E, GLY169B, GLY169E, GLY190B, GLY190E, GLY192B, GLY192E, HIS168B, HIS168E, HIS196B, HIS196E, ILE118B, ILE118E, ILE152B, ILE152E, ILE191B, ILE191E, LEU160B, LEU160E, LYS151B, LYS151E, MET125B, MET125E, MET156B, MET156E, PHE163B, PHE163E, PRO123B, PRO123E, SER189B, SER189E, THR122B, THR122E, THR154B, THR154E, TYR121B, TYR121E, VAL161B, VAL161E, VAL162B, VAL162E
• D-E: ALA167E, ALA173E, ALA182E, ALA184D, ALA184E, ALA216E, ARG110D, ASN211E, ASP171D, ASP171E, ASP175E, ASP198E, ASP200E, ASP231D, GLU201E, GLU219E, GLY106D, GLY166E, GLY176E, GLY178E, GLY179E, GLY186D, GLY225D, GLY227D, GLY257D, HIS172D, HIS172E, HIS183D, HIS183E, HIS196E, HIS218E, HIS222D, HIS222E, HIS228D, HIS228E, ILE180E, LEU181E, LEU212E, LEU214E, LEU226D, LEU261D, LYS177E, LYS241E, MET104D, MET105D, MET236D, MET236E, PHE174E, PHE185D, PHE197E, PHE202E, PHE213E, PHE237E, PRO107D, PRO187D, PRO232E, PRO238D, PRO238E, SER229D, SER230D, SER260D, THR210E, THR215E, THR239E, TRP109D, TRP203E, TYR240E, VAL108D, VAL217E, VAL235E
• D-F: ARG165F, ARG256D, ASP200F, GLN259D, GLU199F, PRO123F, SER260D
• E-F: ALA167F, ALA173F, ALA182F, ALA184E, ALA184F, ALA216F, ALA234F, ARG110E, ASN211F, ASP171E, ASP175F, ASP198F, ASP200F, GLU201F, GLU219F, GLY106E, GLY176F, GLY178F, GLY179F, GLY186E, GLY188E, GLY208F, GLY209F, GLY221E, GLY225E, GLY227E, GLY257E, GLY263E, HIS172E, HIS183E, HIS183F, HIS196F, HIS218F, HIS222E, HIS222F, HIS228E, HIS228F, ILE180F, ILE220F, LEU181F, LEU212F, LEU214F, LEU224E, LEU226E, LEU261E, LYS177F, LYS241F, MET104E, MET105E, MET236E, MET236F, PHE174F, PHE185E, PHE197F, PHE202F, PHE213F, PHE237F, PHE248F, PRO107E, PRO187E, PRO232F, PRO238E, PRO238F, SER189E, SER207F, SER229E, SER230E, SER260E, THR210F, THR215F, THR239F, TRP109E, TRP203F, TYR240F, TYR242F, TYR262E, VAL108E, VAL217F, VAL235F, VAL243F