2OW9

crystal structure analysis of the mmp13 catalytic domain in complex with specific inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -3.7827
• Hub Node: A(1)

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	-53.5076	16.6057	-352.712	-389.6139	103	5	9	11288	0	4	6

Interface residues

• A-B: ALA167A, ALA167B, ALA217A, ALA217B, ARG88A, ARG88B, ASN173A, ASN84A, ASN84B, ASP153A, ASP153B, ASP210A, ASP210B, ASP214A, ASP214B, ASP235A, ASP235B, ASP236A, ASP236B, ASP237A, ASP237B, GLN239A, GLN239B, GLN242A, GLN242B, GLU150A, GLU150B, GLU202A, GLU202B, GLY152A, GLY152B, GLY175A, GLY176A, GLY176B, GLY204A, GLY204B, GLY208A, GLY208B, GLY240A, GLY240B, HIS151A, HIS151B, HIS205A, HIS205B, HIS211A, HIS211B, ILE241A, ILE241B, LEU163B, LEU207A, LEU207B, LEU209A, LEU209B, LEU244A, LEU244B, LEU90A, LEU90B, LYS213A, LYS213B, LYS91A, LYS91B, MET219A, MET219B, PHE154A, PHE154B, PHE168A, PHE168B, PHE203A, PHE203B, PHE220A, PHE220B, PHE86A, PHE86B, PRO156A, PRO156B, PRO169A, PRO169B, PRO170A, PRO170B, PRO172A, PRO221B, PRO87A, PRO87B, SER206A, SER206B, SER212A, SER212B, SER243A, SER243B, THR89A, THR89B, TYR155A, TYR155B, TYR174A, TYR174B, TYR245A, TYR245B, TYR83A, TYR83B, VAL238A, VAL238B, VAL85A, VAL85B