2ZHM

crystal structure of human galectin-9 n-terminal crd in complex with n-acetyllactosamine trimer (crystal 1)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 49
  • Norm. En. per Res.: -2.1155
• Hub Node: A(3)

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	-18.2511	-8.9263	-76.4826	-103.66	49	1	0	2929	2	5	6
A-C	0.0	0.0	-0.7184	-0.7184	7	0	0	99	0	0	0
A-D	-3.3467	0.0	-98.1749	-101.5216	57	2	3	4177	0	0	0
B-C	-2.5692	0.0	-101.191	-103.7602	56	2	3	4200	0	0	0
C-D	0.0	-4.6851	-19.26	-23.9451	33	2	0	1128	0	7	7

Interface residues

• A-B: ARG130A, ARG77A, ASN115B, ASN56A, ASN79A, ASP132A, ASP57A, ASP68B, GLN22A, GLN26A, GLN50A, GLN78A, GLN94B, GLU67B, GLY116B, GLY19A, GLY23A, GLY24A, GLY52A, GLY55A, GLY69B, GLY70B, GLY80A, HIS129A, HIS90B, ILE117B, ILE21A, LEU118B, LYS88B, LYS95B, MET91B, MET97B, PHE119B, PHE17A, PHE53A, PHE66B, PHE93B, PRO92B, SER18A, SER54A, THR133A, THR20A, THR51A, THR89B, TYR10A, TYR71B, VAL114B, VAL120B, VAL131A
• A-C: ALA14A, LEU11A, PRO13A, SER12A, SER40C, SER41C, TYR10A
• A-D: ALA8A, ALA8D, ASN115A, ASN115D, ASN34A, ASN34D, ASP100A, ASP100D, GLN141A, GLN141D, GLN148A, GLN7A, GLN7D, GLY35A, GLY35D, GLY96A, GLY96D, ILE145A, ILE145D, LEU11A, LEU11D, LEU142A, LEU142D, LEU38A, LEU38D, MET97A, MET97D, PHE147A, PHE147D, PHE99A, PHE99D, PRO13A, PRO13D, PRO98A, PRO98D, PRO9A, PRO9D, SER12A, SER12D, SER143A, SER143D, SER146A, SER146D, SER39A, SER39D, SER40A, SER40D, THR32A, THR32D, THR36A, THR36D, TYR10A, TYR10D, TYR144A, TYR144D, VAL37A, VAL37D
• B-C: ALA8B, ALA8C, ASN115C, ASN34B, ASN34C, ASP100B, ASP100C, GLN141B, GLN141C, GLN148B, GLN148C, GLN7B, GLN7C, GLY35B, GLY35C, GLY96B, GLY96C, ILE145B, ILE145C, LEU11B, LEU11C, LEU142B, LEU142C, LEU38B, LEU38C, MET97B, MET97C, PHE147B, PHE147C, PHE99B, PHE99C, PRO13B, PRO13C, PRO98B, PRO98C, PRO9B, PRO9C, SER12B, SER12C, SER143B, SER143C, SER146B, SER146C, SER39B, SER39C, SER40B, THR32B, THR32C, THR36B, THR36C, TYR10B, TYR10C, TYR144B, TYR144C, VAL37B, VAL37C
• C-D: ARG44C, ARG65C, ARG77C, ARG87C, ASN63C, ASP27D, ASP68C, CYS102D, GLN106D, GLN26D, GLN30D, GLU67C, GLY28D, GLY42C, LEU104D, LEU118D, LEU29D, LYS111D, LYS95C, MET113D, PHE147D, PHE66C, SER107D, SER139C, SER146D, SER40C, SER41C, THR32D, THR43C, TRP82C, TYR144D, TYR71C, VAL105D