3LMY

the crystal structure of beta-hexosaminidase b in complex with pyrimethamine

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 104
  • Norm. En. per Res.: -1.8853
• 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	-20.2693	-50.6254	-125.173	-196.0677	104	2	2	6456	8	20	21

Interface residues

• A-B: ARG100A, ARG100B, ARG272A, ARG272B, ARG279A, ARG279B, ARG99A, ARG99B, ASN256A, ASN256B, ASN269A, ASN269B, ASN76A, ASN76B, ASP270A, ASP270B, CYS91A, CYS91B, GLN126A, GLN247A, GLN247B, GLU276A, GLU276B, GLU75A, GLU75B, GLU95A, GLU95B, GLU96A, GLU96B, GLY103A, GLY103B, GLY88A, GLY88B, HIS102A, HIS102B, HIS264A, HIS264B, HIS81A, HIS81B, ILE249A, ILE249B, ILE79A, ILE79B, LEU262A, LEU262B, LEU280A, LEU280B, LEU93A, LEU93B, LYS217A, LYS217B, LYS257A, LYS257B, MET273A, MET273B, PHE251A, PHE251B, PHE77A, PHE77B, PHE98A, PHE98B, PRO215A, PRO215B, PRO245A, PRO245B, PRO252A, PRO252B, PRO268A, PRO268B, PRO74A, PRO74B, PRO89A, PRO89B, SER248A, SER248B, SER261A, SER261B, SER263A, SER263B, SER80A, SER80B, SER90A, SER90B, THR250A, THR250B, THR267A, THR267B, THR92A, THR92B, TYR213A, TYR213B, TYR260A, TYR260B, TYR266A, TYR266B, TYR277A, TYR78A, TYR78B, VAL216A, VAL216B, VAL265A, VAL265B, VAL271A, VAL271B