3AP4

crystal structure of the galectin-8 n-terminal carbohydrate recognition domain in complex with lactose

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 54
  • Norm. En. per Res.: -1.8702
• 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	0.0	-7.8238	-8.7701	-16.5938	9	0	0	454	0	4	6
A-C	-22.3755	-6.6335	-49.521	-78.5301	43	2	3	2638	2	23	16
B-D	0.0	1.1401	-102.129	-100.9889	54	0	1	4187	0	11	18
C-D	-30.5868	54.1336	-90.555	-67.0082	45	4	0	3344	0	21	26

Interface residues

• A-B: ALA43B, ARG99B, ASP42B, ASP44B, LYS143B, LYS57A, PRO58A, SER41B, SER55A
• A-C: ALA117C, ALA60A, ALA63A, ALA73C, ARG129A, ARG72C, ARG88A, ASN52A, ASN83A, ASP61A, ASP94C, CYS75C, GLN26A, GLU133A, GLU84A, GLY131A, GLY74C, GLY87A, HIS122C, HIS128A, ILE130A, ILE76C, ILE82A, ILE91C, LEU124C, LEU125C, LEU81A, LYS121C, LYS134A, LYS85A, LYS98C, PHE97C, PRO58A, PRO96C, SER55A, THR123C, THR80A, THR92C, THR95C, TRP86A, TYR93C, VAL116C, VAL62A
• B-D: ALA60D, ARG36B, ARG59D, ASN119B, ASN145B, ASN14B, ASN52D, GLN51D, GLU100B, GLU104B, GLY120B, GLY142D, GLY21D, GLY37B, GLY53D, HIS147B, HIS38B, ILE105B, ILE11B, ILE12D, ILE140D, ILE146B, ILE17B, ILE17D, ILE35B, LYS101B, LYS121B, LYS143D, LYS57D, PHE103B, PHE19D, PRO15B, PRO15D, PRO18D, PRO40B, PRO58D, PRO96B, SER102B, SER148B, SER41B, SER54D, SER55D, THR137D, THR22D, TYR13B, TYR141D, VAL118B, VAL144B, VAL16B, VAL16D, VAL20D, VAL34B, VAL39B, VAL56D
• C-D: ALA43D, ARG36C, ARG36D, ARG99C, ARG99D, ASN145C, ASN145D, ASN14C, ASN14D, ASN7C, ASP42C, ASP42D, GLU100C, GLU100D, GLU104C, GLU104D, GLY37C, GLY37D, HIS147C, HIS147D, HIS38C, HIS38D, ILE11C, ILE11D, ILE146C, ILE146D, LEU8D, LYS101C, LYS101D, LYS143D, LYS98C, PHE103C, PHE103D, PRO40C, PRO40D, SER102C, SER102D, SER148C, SER148D, SER41C, SER41D, TYR13C, TYR13D, VAL39C, VAL39D