1VKJ

crystal structure of heparan sulfate 3-o-sulfotransferase isoform 1 in the presence of pap

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -2.7882
• 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	-33.6858	-54.4244	-98.7016	-186.8117	67	4	0	3889	7	51	54
A-C	0.0	0.0	-2.7592	-2.7592	12	0	0	212	0	5	6
B-C	-21.6234	0.5439	-98.0415	-119.121	46	5	0	3759	0	27	29

Interface residues

• A-B: ALA247A, ALA247B, ARG223A, ARG223B, ARG226A, ARG226B, ARG237A, ARG262A, ARG306A, ASN253A, ASP152B, ASP222A, ASP222B, ASP227A, ASP227B, ASP267A, ASP282B, ASP287B, ASP309A, ASP309B, GLN233A, GLN280B, GLU155B, GLU231A, GLU236A, GLU291B, GLY257A, GLY257B, HIS290B, HIS294B, HIS311A, HIS311B, ILE225A, ILE225B, ILE232A, LEU285B, LEU286B, LEU289B, LYS234A, LYS254A, LYS254B, LYS284B, LYS298B, PHE229A, PHE229B, PHE250B, PHE252A, PHE252B, PHE258A, PHE301B, PHE308A, PHE308B, PRO228A, PRO228B, PRO230A, PRO230B, PRO279B, PRO283B, THR307B, TRP310A, TRP310B, TYR251A, TYR251B, TYR259A, TYR259B, VAL235A, VAL281B
• A-C: ARG237C, ARG262A, ASP263A, ASP267A, GLN233C, GLY265A, LEU241C, LYS266A, PHE229C, PRO243C, SER242C, SER264A
• B-C: ALA247C, ALA277B, ARG223C, ARG226C, ARG262B, ARG268B, ASN246C, ASN249C, ASN253B, ASN253C, ASP222C, ASP227C, ASP267B, ASP309C, CYS260B, CYS260C, CYS269B, GLN233C, GLU231C, GLU272B, GLY257B, GLY265B, HIS271B, HIS311C, ILE225C, ILE232C, LEU224C, LEU261B, LEU270B, LYS234C, LYS254B, LYS254C, LYS256B, LYS266B, MET77C, PHE229C, PHE250C, PHE252B, PHE252C, PRO228C, PRO230C, SER248C, THR255B, TYR251B, TYR251C, TYR259C