1RIN

x-ray crystal structure of a pea lectin-trimannoside complex at 2.6 angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 207
  • Norm. En. per Res.: -9.9029
• 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-B	-569.8415	-25.672	-1345.48	-1940.9936	205	77	50	47730	2	30	32
A-C	-73.7587	-31.8542	-193.659	-299.2719	67	18	0	8138	2	18	21
A-D	0.0	8.4754	-39.8105	-31.3351	33	0	0	1117	0	4	1
B-C	0.0	6.4455	-38.9347	-32.4892	36	3	0	1089	0	5	1
B-D	0.0	0.0	-0.0028	-0.0028	2	0	0	4	0	2	1
C-D	-613.4761	-45.945	-1390.48	-2049.9011	207	78	55	48600	4	29	33

Interface residues

• A-B: ALA117A, ALA160A, ALA165A, ALA168A, ALA213B, ALA217B, ALA220B, ALA221B, ALA36A, ALA44A, ALA61A, ALA73A, ALA80A, ALA88A, ARG135A, ARG208B, ARG43A, ARG55A, ASN125A, ASN142A, ASN148A, ASN156A, ASN161A, ASN167A, ASN171A, ASN17A, ASN39A, ASN59A, ASN62A, ASN72A, ASN75A, ASN78A, ASP110A, ASP121A, ASP140A, ASP195B, ASP201B, ASP23A, ASP54A, ASP81A, ASP91A, GLN155A, GLN15A, GLN21A, GLN95A, GLU114A, GLU119A, GLU158A, GLU159A, GLU205B, GLU218B, GLU223B, GLU232B, GLU29A, GLU2A, GLU56A, GLY102A, GLY138A, GLY157A, GLY210B, GLY216B, GLY22A, GLY24A, GLY42A, GLY58A, GLY82A, GLY97A, GLY98A, GLY99A, HIS136A, HIS222B, HIS230B, HIS51A, ILE137A, ILE139A, ILE164A, ILE19A, ILE209B, ILE50A, ILE52A, ILE71A, ILE87A, ILE8A, LEU101A, LEU154A, LEU173A, LEU177A, LEU18A, LEU193B, LEU199B, LEU225B, LEU233B, LEU31A, LEU33A, LEU45A, LEU7A, LYS10A, LYS111A, LYS150A, LYS153A, LYS200B, LYS30A, LYS35A, LYS38A, PHE104A, PHE11A, PHE120A, PHE123A, PHE166A, PHE20A, PHE211B, PHE229B, PHE63A, PHE67A, PHE69A, PHE6A, PHE83A, PHE85A, PHE86A, PRO180A, PRO204B, PRO49A, PRO74A, PRO89A, PRO94A, SER143A, SER146A, SER151A, SER176A, SER190B, SER194B, SER198B, SER212B, SER226B, SER228B, SER231B, SER234B, SER47A, SER48A, SER5A, SER66A, SER76A, THR112A, THR113A, THR115A, THR122A, THR149A, THR170A, THR174A, THR178A, THR189B, THR192B, THR1A, THR214B, THR215B, THR26A, THR27A, THR32A, THR34A, THR3A, THR40A, THR4A, THR57A, THR65A, THR68A, THR84A, THR92A, THR96A, THR9A, TRP152A, TRP206B, TRP227B, TRP53A, TYR100A, TYR109A, TYR124A, TYR179A, TYR191B, TYR219B, TYR25A, TYR46A, TYR77A, VAL103A, VAL116A, VAL118A, VAL141A, VAL147A, VAL162A, VAL163A, VAL172A, VAL175A, VAL188B, VAL196B, VAL197B, VAL202B, VAL203B, VAL207B, VAL224B, VAL37A, VAL41A, VAL60A, VAL64A, VAL70A, VAL79A, VAL90A
• A-C: ARG55A, ARG55C, ASN17A, ASN17C, ASP14A, ASP14C, ASP54A, ASP54C, ASP91A, ASP91C, GLN15A, GLN15C, GLN16A, GLN16C, GLU29A, GLU29C, GLU2A, GLU2C, GLU56A, GLU56C, HIS51A, HIS51C, ILE19A, ILE19C, ILE50A, ILE50C, ILE8A, ILE8C, LEU18A, LEU18C, LEU7A, LEU7C, LYS10A, LYS10C, LYS28A, LYS28C, PHE11A, PHE11C, PHE6A, PHE6C, PRO13A, PRO13C, PRO49A, PRO49C, PRO89C, SER12A, SER12C, SER47A, SER47C, SER48A, SER48C, SER5A, SER5C, THR1A, THR1C, THR26C, THR27C, THR3A, THR3C, THR4A, THR4C, THR9A, THR9C, TYR46A, TYR46C, VAL90A, VAL90C
• A-D: ARG208D, ASN17A, ASP14A, GLN15A, GLN16A, GLU205D, GLU232D, GLU2A, GLY235D, HIS230D, ILE19A, ILE8A, LEU18A, LEU233D, LEU7A, LYS10A, PHE229D, PHE6A, PRO204D, SER12A, SER228D, SER231D, SER47A, SER48A, SER5A, THR1A, THR236D, THR3A, THR9A, TRP206D, TRP227D, TYR46A, VAL207D
• B-C: ARG208B, ASN17C, ASP14C, GLN15C, GLN16C, GLU205B, GLU232B, GLU2C, HIS230B, ILE19C, ILE8C, LEU18C, LEU233B, LEU7C, LYS10C, PHE11C, PHE229B, PHE6C, PRO13C, PRO204B, SER12C, SER226B, SER228B, SER231B, SER234B, SER47C, SER48C, SER5C, THR1C, THR26C, THR3C, THR9C, TRP206B, TRP227B, TYR46C, VAL207B
• B-D: ARG208B, ARG208D
• C-D: ALA117C, ALA160C, ALA165C, ALA168C, ALA213D, ALA217D, ALA220D, ALA221D, ALA36C, ALA44C, ALA61C, ALA73C, ALA80C, ALA88C, ARG135C, ARG208D, ARG43C, ARG55C, ASN125C, ASN142C, ASN148C, ASN156C, ASN161C, ASN167C, ASN171C, ASN17C, ASN39C, ASN59C, ASN62C, ASN72C, ASN75C, ASN78C, ASP110C, ASP121C, ASP140C, ASP195D, ASP201D, ASP23C, ASP54C, ASP81C, ASP91C, GLN155C, GLN15C, GLN21C, GLN95C, GLU114C, GLU119C, GLU158C, GLU159C, GLU205D, GLU218D, GLU223D, GLU232D, GLU29C, GLU2C, GLU56C, GLY102C, GLY138C, GLY157C, GLY210D, GLY216D, GLY22C, GLY235D, GLY24C, GLY42C, GLY58C, GLY82C, GLY97C, GLY98C, GLY99C, HIS136C, HIS222D, HIS230D, HIS51C, ILE137C, ILE139C, ILE164C, ILE19C, ILE209D, ILE50C, ILE52C, ILE71C, ILE87C, ILE8C, LEU101C, LEU154C, LEU173C, LEU177C, LEU18C, LEU193D, LEU199D, LEU225D, LEU233D, LEU31C, LEU33C, LEU45C, LEU7C, LYS10C, LYS111C, LYS150C, LYS153C, LYS200D, LYS30C, LYS35C, LYS38C, PHE104C, PHE11C, PHE120C, PHE123C, PHE166C, PHE20C, PHE211D, PHE229D, PHE63C, PHE67C, PHE69C, PHE6C, PHE83C, PHE85C, PHE86C, PRO180C, PRO204D, PRO49C, PRO74C, PRO89C, PRO94C, SER143C, SER146C, SER151C, SER176C, SER190D, SER194D, SER198D, SER212D, SER226D, SER228D, SER231D, SER234D, SER47C, SER48C, SER5C, SER66C, SER76C, THR112C, THR113C, THR115C, THR122C, THR149C, THR170C, THR174C, THR178C, THR189D, THR192D, THR1C, THR214D, THR215D, THR236D, THR26C, THR27C, THR32C, THR34C, THR3C, THR40C, THR4C, THR57C, THR65C, THR68C, THR84C, THR92C, THR96C, THR9C, TRP152C, TRP206D, TRP227D, TRP53C, TYR100C, TYR109C, TYR124C, TYR179C, TYR191D, TYR219D, TYR25C, TYR46C, TYR77C, VAL103C, VAL116C, VAL118C, VAL141C, VAL147C, VAL162C, VAL163C, VAL172C, VAL175C, VAL188D, VAL196D, VAL197D, VAL202D, VAL203D, VAL207D, VAL224D, VAL37C, VAL41C, VAL60C, VAL64C, VAL70C, VAL79C, VAL90C