1W1Y

crystal structure of s. marcescens chitinase b in complex with the cyclic dipeptide inhibitor cyclo-(l-tyr-l-pro) at 1.85 a resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 145
  • Norm. En. per Res.: -3.844
• 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	-90.2759	-48.651	-418.448	-557.3749	145	20	0	14601	4	19	23

Interface residues

• A-B: ALA148A, ALA148B, ALA149A, ALA149B, ALA189A, ALA189B, ALA242A, ALA242B, ALA246A, ALA246B, ALA258A, ALA258B, ALA485A, ALA485B, ALA491A, ALA491B, ARG194A, ARG194B, ARG244A, ARG244B, ARG257A, ARG257B, ASN101A, ASN101B, ASN241A, ASN241B, ASN247A, ASN247B, ASP102A, ASP102B, ASP489A, ASP489B, GLN147A, GLN147B, GLN464A, GLN464B, GLU150A, GLU150B, GLU221A, GLU221B, GLU245A, GLU245B, GLU253A, GLU253B, GLU254A, GLU254B, GLU315A, GLU315B, GLY104A, GLY104B, GLY218A, GLY218B, GLY249A, GLY249B, GLY314A, GLY314B, GLY459A, GLY459B, GLY480A, GLY480B, GLY487A, GLY487B, HIS107A, HIS107B, HIS310B, ILE482A, ILE482B, LEU103A, LEU103B, LEU192A, LEU243A, LEU243B, LEU248A, LEU248B, LEU255A, LEU255B, LEU493A, LEU493B, LYS222A, LYS222B, LYS478A, LYS478B, LYS494B, PHE190A, PHE190B, PHE191A, PHE191B, PHE239A, PHE239B, PHE259A, PHE259B, PRO146A, PRO219A, PRO219B, PRO260A, PRO458A, PRO458B, SER193A, SER193B, SER197A, SER251A, SER251B, SER261A, SER261B, SER484A, SER484B, SER488A, SER488B, SER490A, SER490B, THR256A, THR256B, THR460A, THR460B, THR461A, THR461B, THR483A, THR483B, TRP220A, TRP220B, TRP250A, TRP250B, TRP252A, TRP252B, TRP479A, TRP479B, TRP492A, TRP492B, TRP97A, TRP97B, TYR145A, TYR145B, TYR195A, TYR195B, TYR196A, TYR196B, TYR240A, TYR240B, TYR456A, TYR456B, TYR462A, TYR462B, TYR481A, TYR481B, VAL151A