3A0K

crystal structure of an antiflamatory legume lectin from cymbosema roseum seeds

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 111
  • Norm. En. per Res.: -3.025
• 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-C	-88.061	-7.6141	-192.699	-288.3742	97	51	10	11946	0	16	19
A-E	0.0	0.0	-0.3591	-0.3591	6	0	0	72	0	0	1
A-G	-19.8799	47.6419	-155.909	-128.147	116	43	8	10388	8	19	19
C-E	-14.716	-22.6953	-251.364	-288.7753	128	39	7	12233	4	20	20
E-G	-102.9161	-13.3772	-219.483	-335.7763	111	53	10	13554	0	18	20

Interface residues

• A-C: ALA123A, ALA123C, ALA125A, ALA125C, ALA177A, ALA177C, ALA186A, ALA186C, ARG90A, ARG90C, ASN124A, ASN124C, ASN131A, ASN131C, ASN136A, ASN136C, ASN216A, ASN216C, ASP139A, ASP139C, ASP218A, ASP218C, GLN132A, GLN132C, GLN135A, GLN135C, GLU183A, GLU183C, GLU87A, GLU87C, HIS127A, HIS127C, HIS180A, HIS180C, ILE141A, ILE141C, LEU115A, LEU115C, LEU126A, LEU126C, LEU140A, LEU140C, LYS114A, LYS114C, LYS116A, LYS116C, LYS138A, LYS138C, PHE111A, PHE111C, PHE128A, PHE128C, PHE130A, PHE130C, PHE133A, PHE133C, PHE175A, PHE175C, PRO137A, PRO137C, PRO178A, PRO178C, PRO86A, PRO86C, SER108A, SER110A, SER110C, SER113A, SER113C, SER129A, SER129C, SER184A, SER185A, SER185C, THR112A, THR112C, THR117A, THR117C, THR134A, THR134C, THR148A, THR217A, THR217C, TRP109A, TRP109C, TRP182A, TRP182C, TRP88A, TRP88C, TYR176A, TYR176C, VAL179A, VAL179C, VAL187A, VAL187C, VAL89A, VAL89C
• A-E: ALA121E, ALA123A, ALA125A, ASN124A, ILE120E, THR117A
• A-G: ALA121G, ALA123A, ALA123G, ALA186A, ALA186G, ALA189A, ALA189G, ALA193G, ALA50A, ALA50G, ALA58A, ALA58G, ALA63A, ALA63G, ARG60A, ARG60G, ASN118G, ASN131A, ASN55A, ASN55G, ASP122G, ASP192A, ASP192G, ASP78A, ASP78G, GLN43A, GLY48A, GLY69A, GLY69G, HIS127A, HIS127G, HIS51A, HIS51G, ILE120G, ILE25A, ILE25G, ILE27A, ILE27G, ILE52A, ILE52G, LEU115A, LEU61A, LEU61G, LYS114A, LYS114G, LYS116A, LYS116G, LYS59A, LYS59G, PHE191A, PHE191G, PHE195A, SER108A, SER110A, SER110G, SER119G, SER129A, SER185A, SER185G, SER190A, SER190G, SER53A, SER53G, SER56A, SER56G, SER66A, SER66G, SER68A, SER68G, SER70A, SER70G, SER71A, SER71G, SER72A, SER72G, SER76A, SER76G, THR112A, THR112G, THR117A, THR117G, THR194A, THR194G, THR196A, THR196G, THR49A, THR49G, THR62A, THR62G, THR73A, THR73G, THR74A, THR74G, TRP182A, TRP182G, TYR54A, TYR54G, TYR67A, TYR67G, TYR77A, TYR77G, VAL187A, VAL187G, VAL188A, VAL188G, VAL47A, VAL57A, VAL57G, VAL64A, VAL64G, VAL65A, VAL65G, VAL75A, VAL75G, VAL79A, VAL79G
• C-E: ALA121E, ALA123E, ALA186C, ALA186E, ALA189C, ALA189E, ALA193C, ALA193E, ALA50C, ALA50E, ALA58C, ALA58E, ALA63C, ALA63E, ARG60C, ARG60E, ASN118E, ASN131C, ASN131E, ASN55C, ASN55E, ASP122E, ASP192C, ASP192E, ASP78C, ASP78E, GLN132C, GLN43C, GLY48C, GLY48E, GLY69C, HIS127C, HIS127E, HIS51C, HIS51E, ILE106C, ILE120E, ILE25C, ILE25E, ILE27C, ILE52C, ILE52E, LEU107C, LEU115C, LEU115E, LEU61C, LEU61E, LYS114C, LYS114E, LYS116C, LYS116E, LYS46C, LYS59C, LYS59E, PHE111C, PHE128C, PHE130C, PHE133C, PHE191C, PHE191E, PHE195C, PHE195E, PHE197C, SER108C, SER108E, SER110C, SER110E, SER119E, SER129C, SER185C, SER185E, SER190C, SER190E, SER53C, SER53E, SER56C, SER56E, SER66C, SER66E, SER68C, SER68E, SER70C, SER70E, SER71C, SER71E, SER72C, SER72E, SER76C, SER76E, THR112C, THR112E, THR117C, THR117E, THR194C, THR194E, THR196C, THR196E, THR49C, THR49E, THR62C, THR62E, THR73C, THR73E, THR74C, THR74E, TRP109C, TRP109E, TYR54C, TYR54E, TYR67C, TYR67E, TYR77C, TYR77E, VAL187C, VAL187E, VAL188C, VAL188E, VAL47C, VAL47E, VAL57C, VAL57E, VAL64C, VAL64E, VAL65C, VAL65E, VAL75C, VAL75E, VAL79C
• E-G: ALA121E, ALA121G, ALA123E, ALA123G, ALA125E, ALA125G, ALA177E, ALA177G, ALA186E, ALA186G, ARG90E, ARG90G, ASN118E, ASN118G, ASN124E, ASN124G, ASN131E, ASN131G, ASN136E, ASN136G, ASN153E, ASN216E, ASN216G, ASP122E, ASP122G, ASP139E, ASP139G, ASP151E, ASP218E, ASP218G, GLN132E, GLN132G, GLN135E, GLN135G, GLU183E, GLU183G, GLU87E, GLU87G, GLY152E, GLY152G, HIS127E, HIS127G, HIS180E, HIS180G, ILE120G, ILE141E, ILE141G, LEU107E, LEU115E, LEU115G, LEU126E, LEU126G, LEU140E, LEU140G, LYS114E, LYS114G, LYS116E, LYS116G, LYS138E, LYS138G, PHE111E, PHE111G, PHE128E, PHE128G, PHE130E, PHE130G, PHE133E, PHE133G, PHE175E, PHE175G, PRO137E, PRO137G, PRO178E, PRO178G, PRO86E, PRO86G, SER108E, SER108G, SER110E, SER110G, SER113E, SER113G, SER119E, SER119G, SER129E, SER129G, SER184G, SER185E, SER185G, THR112E, THR112G, THR117E, THR117G, THR134E, THR134G, THR148G, THR217E, THR217G, TRP109E, TRP109G, TRP182E, TRP182G, TRP88E, TRP88G, TYR176E, TYR176G, VAL179E, VAL179G, VAL187G, VAL89E, VAL89G