2CWG

crystallographic refinement and structure analysis of the complex of wheat germ agglutinin with a bivalent sialoglycopeptide from glycophorin a

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 199
  • Norm. En. per Res.: -3.6269
• 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-D	0.0	5.7393	-17.7544	-12.0151	17	0	0	953	0	0	2
A-B	-103.8758	-7.3525	-610.529	-721.7573	199	25	9	21895	5	10	9
A-E	0.0	0.0	-1.4654	-1.4654	9	0	0	111	0	0	0
D-B	0.0	11.5899	-21.4078	-9.8179	17	1	0	816	0	0	1
B-E	0.0	0.0	-6.1945	-6.1945	7	3	0	319	0	0	0

Interface residues

• A-D: ALA50A, ALA8D, ALA9D, ARG12D, ARG45A, ASP5D, GLN49A, GLU72A, PRO11D, SER43A, THR10D, THR42A, TRP41A, TYR64A, TYR66A, TYR73A, TYR7D
• A-B: ALA125A, ALA125B, ALA39A, ALA39B, ALA71A, ALA71B, ALA85A, ALA85B, ARG2A, ARG2B, ARG84A, ARG84B, ASN100A, ASN100B, ASN101A, ASN101B, ASN143A, ASN143B, ASN14A, ASN14B, ASN15A, ASN15B, ASN37A, ASN37B, ASN57A, ASN57B, ASN58A, ASN58B, ASN9A, ASN9B, ASP129A, ASP129B, ASP29A, ASP29B, ASP86A, ASP86B, CYS103A, CYS103B, CYS110A, CYS110B, CYS117A, CYS117B, CYS121B, CYS126A, CYS126B, CYS12A, CYS12B, CYS146A, CYS146B, CYS153A, CYS153B, CYS160A, CYS160B, CYS17A, CYS17B, CYS18A, CYS18B, CYS24A, CYS24B, CYS31A, CYS31B, CYS3A, CYS3B, CYS40A, CYS40B, CYS55A, CYS55B, CYS60A, CYS60B, CYS67A, CYS67B, CYS74A, CYS74B, CYS83A, CYS83B, CYS98B, GLN59A, GLN59B, GLN6A, GLU115A, GLU115B, GLU11A, GLU11B, GLU72A, GLU72B, GLY111A, GLY111B, GLY113A, GLY113B, GLY118A, GLY118B, GLY124A, GLY124B, GLY154A, GLY154B, GLY156A, GLY156B, GLY158A, GLY158B, GLY22A, GLY22B, GLY25A, GLY25B, GLY27A, GLY27B, GLY28A, GLY28B, GLY32A, GLY32B, GLY38A, GLY38B, GLY4A, GLY4B, GLY68A, GLY68B, GLY70A, GLY70B, GLY75A, GLY75B, GLY7A, GLY7B, GLY81A, GLY81B, ILE155A, ILE155B, ILE87A, ILE87B, LEU102A, LEU102B, LEU112A, LEU112B, LEU16A, LEU16B, LYS130A, LYS130B, LYS44A, LYS44B, MET10A, MET10B, MET26A, MET26B, PHE109A, PHE109B, PHE116A, PHE116B, PHE69A, PHE69B, PRO13A, PRO13B, PRO157A, PRO157B, PRO82A, PRO82B, PRO99A, PRO99B, SER105A, SER105B, SER114A, SER114B, SER127A, SER127B, SER148A, SER148B, SER152A, SER152B, SER43A, SER43B, SER62A, SER62B, SER8A, SER8B, THR128A, THR128B, THR42A, THR42B, THR54A, THR54B, THR56A, THR56B, TRP107A, TRP107B, TRP150A, TRP150B, TRP41A, TRP41B, TYR145A, TYR145B, TYR159A, TYR159B, TYR23A, TYR23B, TYR30A, TYR30B, TYR64A, TYR64B, TYR66A, TYR66B, TYR73A, TYR73B
• A-E: ALA5E, GLN6A, GLU5A, GLY7A, MET10A, PRO157A, PRO7E, SER8A, THR6E
• D-B: ALA8D, ASP5D, CYS117B, CYS121B, GLN106B, GLU115B, GLY113B, GLY118B, GLY119B, PHE116B, SER114B, SER127B, THR10D, THR128B, THR6D, TRP107B, TYR7D
• B-E: ALA5E, ARG2B, CYS24B, GLY22B, PRO7E, THR6E, TYR23B