2GDF

crystal structure of dioclea violacea seed lectin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 100
  • Norm. En. per Res.: -4.3068
• 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	-92.8838	-23.796	-312.496	-429.1757	100	15	8	10749	1	30	38
A-D	-31.6933	-17.0004	-168.495	-217.1887	110	12	7	8131	2	20	17
B-C	-37.0542	-10.6383	-169.504	-217.1965	112	21	7	8310	2	20	17
B-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	2
C-D	-92.4314	-25.2641	-312.985	-430.6805	100	15	8	10754	1	30	38

Interface residues

• A-B: ALA120B, ALA121B, ALA177A, ALA177B, ARG90A, ARG90B, ASN124A, ASN124B, ASN136A, ASN136B, ASN153A, ASN216A, ASP122B, ASP139A, ASP139B, ASP151A, ASP218A, ASP218B, GLN135A, GLN135B, GLU123A, GLU123B, GLU183A, GLU183B, GLU87A, GLU87B, GLY152A, GLY152B, HIS127A, HIS127B, HIS131A, HIS131B, HIS180A, HIS180B, ILE141A, ILE141B, LEU107A, LEU107B, LEU115A, LEU115B, LEU126A, LEU126B, LEU140A, LEU140B, LYS114A, LYS114B, LYS116A, LYS116B, LYS132A, LYS132B, LYS138A, LYS138B, LYS184A, LYS184B, PHE111A, PHE111B, PHE128A, PHE128B, PHE130A, PHE130B, PHE133A, PHE133B, PHE175A, PHE175B, PRO137A, PRO137B, PRO178A, PRO178B, PRO86A, PRO86B, SER108A, SER108B, SER110A, SER110B, SER113A, SER113B, SER119B, SER125A, SER125B, SER129A, SER129B, SER134A, SER134B, THR112A, THR112B, THR117A, THR117B, THR217A, THR217B, TRP109A, TRP109B, TRP182B, TRP88A, TRP88B, TYR176A, TYR176B, VAL179A, VAL179B, VAL89A, VAL89B
• A-D: ALA120D, ALA121D, ALA186A, ALA186D, ALA189A, ALA189D, ALA193A, ALA193D, ALA58A, ALA58D, ALA63A, ALA63D, ARG60A, ARG60D, ASN118D, ASN55A, ASN55D, ASP122D, ASP192A, ASP192D, ASP78A, ASP78D, GLN43A, GLU123D, GLY48A, GLY69A, GLY69D, HIS127A, HIS127D, HIS131A, HIS51A, HIS51D, ILE25D, ILE27A, ILE27D, ILE52A, ILE52D, LEU61A, LEU61D, LYS114A, LYS114D, LYS116A, LYS116D, LYS59A, LYS59D, PHE191A, PHE191D, SER108A, SER110A, SER110D, SER119D, SER185D, SER190A, SER190D, SER53A, SER53D, SER56A, SER56D, SER62A, SER62D, SER66A, SER66D, SER68A, SER68D, SER70A, SER70D, SER71A, SER71D, SER72A, SER72D, SER76A, SER76D, THR112A, THR112D, THR117A, THR117D, THR194A, THR194D, THR196A, THR49A, THR49D, THR73A, THR73D, THR74A, THR74D, TRP182A, TRP182D, TYR54A, TYR54D, TYR67A, TYR67D, TYR77A, TYR77D, VAL187A, VAL187D, VAL188A, VAL188D, VAL47A, VAL50A, VAL50D, VAL57A, VAL57D, VAL64A, VAL64D, VAL65A, VAL65D, VAL75A, VAL75D, VAL79A, VAL79D
• B-C: ALA120B, ALA121B, ALA186B, ALA186C, ALA189B, ALA189C, ALA193B, ALA193C, ALA58B, ALA58C, ALA63B, ALA63C, ARG60B, ARG60C, ASN118B, ASN55B, ASN55C, ASP122B, ASP192B, ASP192C, ASP78B, ASP78C, GLN43C, GLU123B, GLY48C, GLY69B, GLY69C, HIS127B, HIS127C, HIS131C, HIS51B, HIS51C, ILE25B, ILE25C, ILE27B, ILE27C, ILE52B, ILE52C, LEU61B, LEU61C, LYS114B, LYS114C, LYS116B, LYS116C, LYS59B, LYS59C, PHE191B, PHE191C, SER108C, SER110B, SER110C, SER119B, SER185B, SER185C, SER190B, SER190C, SER53B, SER53C, SER56B, SER56C, SER62B, SER62C, SER66B, SER66C, SER68B, SER68C, SER70B, SER70C, SER71B, SER71C, SER72B, SER72C, SER76B, SER76C, THR112B, THR112C, THR117B, THR117C, THR194B, THR194C, THR196C, THR49B, THR49C, THR73B, THR73C, THR74B, THR74C, TRP182B, TRP182C, TYR54B, TYR54C, TYR67B, TYR67C, TYR77B, TYR77C, VAL187B, VAL187C, VAL188B, VAL188C, VAL47C, VAL50B, VAL50C, VAL57B, VAL57C, VAL64B, VAL64C, VAL65B, VAL65C, VAL75B, VAL75C, VAL79B, VAL79C
• B-D: HIS131B, HIS131D
• C-D: ALA120D, ALA121D, ALA177C, ALA177D, ARG90C, ARG90D, ASN124C, ASN124D, ASN136C, ASN136D, ASN153C, ASN216C, ASP122D, ASP139C, ASP139D, ASP151C, ASP218C, ASP218D, GLN135C, GLN135D, GLU123C, GLU123D, GLU183C, GLU183D, GLU87C, GLU87D, GLY152C, GLY152D, HIS127C, HIS127D, HIS131C, HIS131D, HIS180C, HIS180D, ILE141C, ILE141D, LEU107C, LEU107D, LEU115C, LEU115D, LEU126C, LEU126D, LEU140C, LEU140D, LYS114C, LYS114D, LYS116C, LYS116D, LYS132C, LYS132D, LYS138C, LYS138D, LYS184C, LYS184D, PHE111C, PHE111D, PHE128C, PHE128D, PHE130C, PHE130D, PHE133C, PHE133D, PHE175C, PHE175D, PRO137C, PRO137D, PRO178C, PRO178D, PRO86C, PRO86D, SER108C, SER108D, SER110C, SER110D, SER113C, SER113D, SER119D, SER125C, SER125D, SER129C, SER129D, SER134C, SER134D, THR112C, THR112D, THR117C, THR117D, THR217C, THR217D, TRP109C, TRP109D, TRP182D, TRP88C, TRP88D, TYR176C, TYR176D, VAL179C, VAL179D, VAL89C, VAL89D