2D7F

crystal structure of a lectin from canavalia gladiata seeds complexed with alpha-methyl-mannoside and alpha- aminobutyric acid

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-S
  • Int. Res.: 107
  • Norm. En. per Res.: -4.7706
• 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-F	-26.1593	7.0434	-73.3519	-92.4677	64	2	1	3436	0	7	7
A-S	-119.8243	0.3903	-391.016	-510.45	107	15	9	12929	0	24	26
F-L	-131.9118	-2.1412	-380.699	-514.752	108	13	10	12664	0	22	26

Interface residues

• A-F: ALA146F, ALA1A, ALA1F, ALA236A, ARG158F, ARG172F, ARG228A, ASN14A, ASN216F, ASN237F, ASP145F, ASP16A, ASP208A, ASP218F, ASP235A, ASP235F, ASP2F, GLN143F, GLN166F, GLY144F, GLY167A, GLY167F, GLY171F, GLY224A, GLY224F, GLY227A, GLY227F, GLY231A, GLY231F, GLY98A, GLY98F, ILE17A, ILE221A, ILE221F, LEU229A, LEU229F, LEU230A, LEU99A, PHE233A, PRO222A, PRO222F, PRO234A, PRO234F, SER168A, SER168F, SER169A, SER169F, SER219F, SER220A, SER220F, SER223A, SER223F, SER225A, SER225F, SER96A, SER96F, THR157F, THR226A, THR226F, THR97A, THR97F, TYR100A, VAL170A, VAL170F
• A-S: ALA125A, ALA125S, ALA177A, ALA177S, ALA186A, ALA186S, ARG90A, ARG90S, ASN118A, ASN118S, ASN124A, ASN124S, ASN131A, ASN131S, ASN153A, ASN153S, ASP136A, ASP136S, ASP139A, ASP139S, ASP151A, ASP151S, GLN132A, GLN132S, GLN137A, GLN137S, GLU122A, GLU122S, GLU183A, GLU183S, GLU87A, GLU87S, GLY152A, GLY152S, HIS121A, HIS121S, HIS127A, HIS127S, HIS180A, HIS180S, ILE141A, ILE141S, ILE217A, ILE217S, LEU107A, LEU107S, LEU115A, LEU115S, LEU126A, LEU126S, LEU140A, LEU140S, LYS114A, LYS114S, LYS116A, LYS116S, LYS135A, LYS135S, LYS138A, LYS138S, MET129A, MET129S, PHE111A, PHE111S, PHE128A, PHE128S, PHE130A, PHE130S, PHE133A, PHE133S, PHE175A, PHE175S, PRO178A, PRO178S, PRO86A, PRO86S, SER108A, SER108S, SER110A, SER110S, SER113A, SER113S, SER117A, SER117S, SER119A, SER119S, SER134A, SER134S, SER184A, SER185A, SER185S, THR112A, THR112S, THR120A, THR120S, THR123A, THR123S, TRP109A, TRP109S, TRP88A, TRP88S, TYR176A, TYR176S, VAL179A, VAL179S, VAL89A, VAL89S
• F-L: ALA125F, ALA125L, ALA177F, ALA177L, ALA186F, ALA186L, ARG90F, ARG90L, ASN118F, ASN118L, ASN124F, ASN124L, ASN131F, ASN131L, ASN153F, ASN153L, ASP136F, ASP136L, ASP139F, ASP139L, ASP151F, ASP151L, GLN132F, GLN132L, GLN137F, GLN137L, GLU122F, GLU122L, GLU183F, GLU183L, GLU87F, GLU87L, GLY152F, GLY152L, HIS121F, HIS121L, HIS127F, HIS127L, HIS180F, HIS180L, ILE141F, ILE141L, ILE217F, ILE217L, LEU107F, LEU107L, LEU115F, LEU115L, LEU126F, LEU126L, LEU140F, LEU140L, LYS114F, LYS114L, LYS116F, LYS116L, LYS135F, LYS135L, LYS138F, LYS138L, MET129F, MET129L, PHE111F, PHE111L, PHE128F, PHE128L, PHE130F, PHE130L, PHE133F, PHE133L, PHE175F, PHE175L, PRO178F, PRO178L, PRO86F, PRO86L, SER108F, SER108L, SER110F, SER110L, SER113F, SER113L, SER117F, SER117L, SER119F, SER119L, SER134F, SER134L, SER185F, SER185L, THR112F, THR112L, THR120F, THR120L, THR123F, THR123L, THR148F, TRP109F, TRP109L, TRP88F, TRP88L, TYR176F, TYR176L, VAL179F, VAL179L, VAL187L, VAL89F, VAL89L