1MSA

mannose-specific agglutinin (lectin) from snowdrop (galanthus nivalis) bulbs complexed with methyl-alpha-d- mannoside

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 123
  • Norm. En. per Res.: -6.4409
• 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	6.3504	-97.7198	-91.3694	44	0	6	3857	0	10	13
A-D	-219.6604	-17.3143	-559.329	-796.3036	126	33	10	19901	4	16	13
B-C	-203.1168	-17.5123	-571.6	-792.2291	123	32	9	19998	4	17	13
C-D	0.0	6.4712	-100.078	-93.6068	43	0	6	3908	0	10	13

Interface residues

• A-B: ASN17A, ASN17B, ASP1A, ASP1B, ASP35A, ASP35B, ASP37A, ASP37B, GLN26A, GLN26B, GLU14A, GLU14B, GLY13A, GLY13B, GLY19A, GLY19B, ILE24A, ILE24B, LEU16A, LEU16B, LEU33A, LEU33B, LYS38A, LYS38B, PHE15A, PHE15B, PHE21A, PHE21B, PHE23A, PHE23B, PRO39A, PRO39B, SER20A, SER20B, TYR18A, TYR18B, TYR34A, TYR34B, VAL22A, VAL22B, VAL32A, VAL32B, VAL36A, VAL36B
• A-D: ALA103A, ALA103D, ALA42A, ALA42D, ALA74A, ALA74D, ARG101A, ARG101D, ARG92A, ARG92D, ASN2A, ASN2D, ASN61A, ASN61D, ASN76A, ASN76D, ASN83A, ASN83D, ASN93A, ASN93D, ASP100A, ASP100D, ASP1A, ASP1A5, ASP1D, ASP35A, ASP35D, ASP59A, ASP59D, ASP91A, ASP91D, CB7.66438-10.28932, CYS86A, CYS86D, GLN80A, GLN80D, GLN89A, GLN89D, GLU8A, GLU8D, GLY105A, GLY105D, GLY109A, GLY109D, GLY60A, GLY60D, GLY78A, GLY78D, GLY79A, GLY79D, GLY82A, GLY82D, GLY98A, GLY98D, HIS107A, HIS107D, ILE3A, ILE3D, ILE40A, ILE40D, ILE87A, ILE87D, ILE96A, ILE96D, LEU16A, LEU31A, LEU31D, LEU33A, LEU33D, LEU4A, LEU4D, LEU54A, LEU54D, LEU62A, LEU62D, LEU88A, LEU88D, LYS90A, LYS90D, MET56A, MET56D, PHE21A, PHE21D, PHE23A, PHE23D, PRO39A, SER6A, SER6D, SER75A, SER75D, THR104A, THR104D, THR106A, THR106D, THR108A, THR108D, THR43A, THR43D, THR77A, THR77D, THR99A, THR99D, THR9A, THR9D, TRP102A, TRP102D, TRP41A, TRP41D, TRP73A, TRP73D, TYR18A, TYR18D, TYR5A, TYR5D, TYR84A, TYR84D, TYR97A, TYR97D, VAL32A, VAL32D, VAL85A, VAL85D, VAL94A, VAL94D, VAL95A, VAL95D
• B-C: ALA103B, ALA103C, ALA42B, ALA42C, ALA74B, ALA74C, ARG101B, ARG101C, ARG92B, ARG92C, ASN2B, ASN2C, ASN61B, ASN61C, ASN76B, ASN76C, ASN83B, ASN83C, ASN93B, ASN93C, ASP100B, ASP100C, ASP1B, ASP1C, ASP35B, ASP35C, ASP59B, ASP59C, ASP91B, ASP91C, CYS86B, CYS86C, GLN80B, GLN80C, GLN89B, GLN89C, GLU8B, GLU8C, GLY105B, GLY105C, GLY109B, GLY109C, GLY60B, GLY60C, GLY78B, GLY78C, GLY79C, GLY82B, GLY82C, GLY98B, GLY98C, HIS107B, HIS107C, ILE3B, ILE3C, ILE40B, ILE40C, ILE87B, ILE87C, ILE96B, ILE96C, LEU31B, LEU31C, LEU33B, LEU33C, LEU4B, LEU4C, LEU54B, LEU54C, LEU62B, LEU62C, LEU88B, LEU88C, LYS90B, LYS90C, MET56B, MET56C, PHE21B, PHE21C, PHE23B, PHE23C, PRO39B, PRO39C, SER6B, SER6C, SER75B, SER75C, THR104B, THR104C, THR106B, THR106C, THR108B, THR108C, THR43B, THR43C, THR77B, THR77C, THR99B, THR99C, THR9B, THR9C, TRP102B, TRP102C, TRP41B, TRP41C, TRP73B, TRP73C, TYR18B, TYR18C, TYR5B, TYR5C, TYR84B, TYR84C, TYR97B, TYR97C, VAL32B, VAL32C, VAL85B, VAL85C, VAL94B, VAL94C, VAL95B, VAL95C
• C-D: ASN17C, ASN17D, ASP1C, ASP1D, ASP35C, ASP35D, ASP37C, ASP37D, GLN26C, GLN26D, GLU14C, GLU14D, GLY13C, GLY13D, GLY19C, GLY19D, ILE24C, ILE24D, LEU16C, LEU16D, LEU33D, LYS38C, LYS38D, PHE15C, PHE15D, PHE21C, PHE21D, PHE23C, PHE23D, PRO39C, PRO39D, SER20C, SER20D, TYR18C, TYR18D, TYR34C, TYR34D, VAL22C, VAL22D, VAL32C, VAL32D, VAL36C, VAL36D