3MEZ

x-ray structural analysis of a mannose specific lectin from dutch crocus (crocus vernus)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 124
  • Norm. En. per Res.: -4.5518
• Hub Node: A(1)

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	-115.8828	-10.517	-445.134	-571.5338	128	19	18	17487	0	7	2
B-D	-64.6346	-30.9064	-276.519	-372.0599	95	25	2	9886	9	34	34
C-D	-88.0203	-16.1659	-460.239	-564.4251	124	16	16	17279	0	6	2

Interface residues

• A-B: ALA101B, ALA103A, ALA107B, ALA109A, ALA110A, ALA111A, ALA112B, ALA113B, ALA22B, ALA38A, ALA88A, ALA89A, ARG24B, ARG4B, ARG59A, ARG6B, ASN2A, ASN36A, ASN3A, ASN45B, ASN7B, ASN81A, ASN83B, ASN86A, ASN98B, ASP1A, ASP1A5, ASP90B, ASP94A, ASP9A, CB8.25121-12.36471, CB8.68344-29.70336, GLN100B, GLN13B, GLN42A, GLN61A, GLN87B, GLN95A, GLN96B, GLU20A, GLU49B, GLU63A, GLU68B, GLY101A, GLY105B, GLY39A, GLY40A, GLY60A, GLY67B, GLY85A, GLY86B, GLY89B, GLY92A, GLY99B, HIS96A, ILE104A, ILE2B, ILE94B, ILE97B, ILE99A, LEU28B, LEU32A, LEU34A, LEU36B, LEU38B, LEU54A, LEU56A, LEU5A, LEU62A, LEU63B, LEU69B, LEU6A, LEU91A, LEU93B, LEU95B, LEU9B, LYS40B, MET61B, PHE10B, PHE24A, PHE41A, PHE80B, PRO102A, PRO106B, PRO108A, PRO3B, PRO77A, PRO93A, SER106A, SER110B, SER11B, SER50B, SER66B, SER82B, THR107A, THR111B, THR23B, THR7A, THR82A, THR84B, THR90A, THR98A, TRP105A, TRP109B, TRP48B, TRP74A, TYR100A, TYR104B, TYR19A, TYR26B, TYR76A, TYR87A, TYR91B, VAL102B, VAL103B, VAL108B, VAL33A, VAL37B, VAL47B, VAL4A, VAL5B, VAL80A, VAL81B, VAL83A, VAL85B, VAL8B, VAL92B, VAL97A
• B-D: ALA19B, ALA19D, ARG4B, ARG4D, ARG62B, ARG62D, ARG75B, ARG75D, ASN18B, ASN18D, ASN1B, ASN1D, ASN77B, ASN77D, ASP17B, ASP17D, ASP70B, ASP70D, ASP73B, ASP73D, ASP74B, ASP74D, ASP90B, ASP90D, CYS59B, CYS59D, GLN13B, GLN13D, GLN20B, GLN20D, GLN57B, GLN57D, GLU68B, GLU68D, GLU88B, GLU88D, GLY56D, GLY64B, GLY64D, GLY67B, GLY67D, GLY89B, GLY89D, HIS58B, HIS58D, HIS65B, HIS65D, ILE2B, ILE2D, ILE71B, ILE71D, LEU63B, LEU63D, LEU69B, LEU69D, LEU76B, LEU76D, LEU9B, LEU9D, MET15B, MET15D, MET30B, MET30D, MET61B, MET61D, PHE10B, PHE10D, PHE60B, PHE60D, PHE80B, PHE80D, PRO3B, PRO3D, SER11B, SER11D, SER12B, SER12D, SER66B, SER66D, THR72B, THR72D, THR78B, THR78D, TYR16B, TYR16D, VAL14B, VAL14D, VAL5B, VAL5D, VAL79B, VAL79D, VAL81B, VAL81D, VAL85B, VAL85D
• C-D: ALA101D, ALA103C, ALA107D, ALA109C, ALA110C, ALA112D, ALA22D, ALA88C, ALA89C, ARG24D, ARG4D, ARG59C, ARG6D, ASN1D, ASN2C, ASN36C, ASN3C, ASN57C, ASN7D, ASN81C, ASN83D, ASN86C, ASN98D, ASP1C, ASP90D, ASP94C, ASP9C, GLN100D, GLN13D, GLN42C, GLN61C, GLN87D, GLN95C, GLN96D, GLU20C, GLU49D, GLU63C, GLU68D, GLY101C, GLY105D, GLY39C, GLY40C, GLY60C, GLY64D, GLY67D, GLY85C, GLY86D, GLY89D, GLY92C, GLY99D, HIS96C, ILE104C, ILE2D, ILE94D, ILE97D, ILE99C, LEU28D, LEU32C, LEU34C, LEU36D, LEU38D, LEU54C, LEU56C, LEU5C, LEU62C, LEU63D, LEU69D, LEU6C, LEU91C, LEU93D, LEU95D, LEU9D, LYS40D, MET61D, PHE10D, PHE24C, PHE41C, PHE80D, PRO102C, PRO106D, PRO108C, PRO3D, PRO77C, PRO93C, SER106C, SER110D, SER11D, SER50D, SER66D, SER82D, THR107C, THR111D, THR23D, THR7C, THR82C, THR84D, THR90C, THR98C, TRP105C, TRP109D, TRP48D, TRP74C, TYR100C, TYR104D, TYR19C, TYR26D, TYR76C, TYR87C, TYR91D, VAL102D, VAL103D, VAL108D, VAL33C, VAL37D, VAL47D, VAL4C, VAL5D, VAL80C, VAL81D, VAL83C, VAL85D, VAL8D, VAL92D, VAL97C