1LOE

x-ray crystal structure determination and refinement at 1.9 angstroms resolution of isolectin i from the seeds of lathyrus ochrus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 201
  • Norm. En. per Res.: -10.0087
• 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	-612.7901	-15.1286	-1383.83	-2011.7487	201	92	52	47932	0	25	32
A-C	-93.3856	-16.4732	-188.511	-298.3698	69	14	0	7692	0	14	16
A-D	0.0	6.4142	-38.1128	-31.6986	34	1	0	1063	0	4	1
B-C	0.0	6.0408	-42.6776	-36.6368	35	1	0	1207	0	4	1
B-D	0.0	0.0	-0.0015	-0.0015	6	0	0	4	0	2	1
C-D	-596.821	-16.4158	-1380.42	-1993.6567	202	73	51	48218	1	27	33

Interface residues

• A-B: ALA117A, ALA153A, ALA160A, ALA165A, ALA168A, ALA26B, ALA30B, ALA33B, ALA34B, ALA36A, ALA44A, ALA47B, ALA61A, ALA73A, ALA80A, ALA88A, ARG135A, ARG21B, ARG30A, ARG38A, ARG43A, ASN125A, ASN142A, ASN148A, ASN156A, ASN161A, ASN167A, ASN171A, ASN17A, ASN39A, ASN59A, ASN62A, ASN75A, ASN78A, ASN7B, ASP110A, ASP121A, ASP140A, ASP23A, ASP54A, ASP72A, ASP81A, ASP91A, GLN114A, GLN155A, GLN15A, GLN21A, GLN95A, GLU119A, GLU14B, GLU159A, GLU18B, GLU29A, GLU2A, GLU31B, GLU36B, GLU45B, GLU8B, GLY102A, GLY138A, GLY157A, GLY22A, GLY23B, GLY24A, GLY29B, GLY42A, GLY58A, GLY82A, GLY97A, GLY98A, GLY99A, HIS136A, HIS35B, HIS43B, HIS51A, ILE137A, ILE139A, ILE147A, ILE164A, ILE19A, ILE22B, ILE50A, ILE52A, ILE71A, ILE87A, ILE8A, LEU101A, LEU12B, LEU154A, LEU173A, LEU177A, LEU18A, LEU31A, LEU33A, LEU38B, LEU45A, LEU46B, LEU6B, LYS10A, LYS111A, LYS13B, LYS150A, LYS158A, LYS28A, LYS35A, LYS56A, PHE104A, PHE11A, PHE120A, PHE123A, PHE15B, PHE166A, PHE24B, PHE32B, PHE42B, PHE63A, PHE67A, PHE69A, PHE6A, PHE83A, PHE85A, PHE86A, PRO11B, PRO17B, PRO180A, PRO49A, PRO74A, PRO89A, PRO94A, SER113A, SER146A, SER151A, SER176A, SER25B, SER39B, SER3B, SER44B, SER47A, SER48A, SER55A, SER5A, SER66A, SER7A, THR112A, THR115A, THR122A, THR149A, THR170A, THR174A, THR178A, THR1A, THR26A, THR27A, THR27B, THR28B, THR2B, THR32A, THR34A, THR3A, THR40A, THR4A, THR57A, THR5B, THR65A, THR68A, THR84A, THR92A, THR96A, THR9A, TRP152A, TRP19B, TRP40B, TRP53A, TYR100A, TYR109A, TYR179A, TYR25A, TYR41B, TYR46A, TYR4B, TYR77A, VAL103A, VAL10B, VAL116A, VAL118A, VAL141A, VAL162A, VAL163A, VAL16B, VAL172A, VAL175A, VAL20B, VAL37A, VAL37B, VAL41A, VAL60A, VAL64A, VAL70A, VAL79A, VAL90A, VAL9B
• A-C: ASN17A, ASN17C, ASN59A, ASN59C, ASP14A, ASP14C, ASP54A, ASP54C, ASP91A, ASP91C, GLN15A, GLN15C, GLN16A, GLN16C, GLU29A, GLU29C, GLU2A, GLU2C, GLY12A, GLY12C, HIS51A, HIS51C, ILE19A, ILE19C, ILE50A, ILE50C, ILE8A, ILE8C, LEU18A, LEU18C, LYS10A, LYS10C, LYS28A, LYS28C, LYS56A, LYS56C, PHE11A, PHE11C, PHE6A, PHE6C, PRO13A, PRO13C, PRO49A, PRO49C, PRO89C, SER47A, SER47C, SER48A, SER48C, SER55A, SER55C, SER5A, SER5C, SER7A, SER7C, THR1A, THR1C, THR3A, THR3C, THR4A, THR4C, THR57A, THR57C, THR9A, THR9C, TYR46A, TYR46C, VAL90A, VAL90C
• A-D: ALA47D, ARG21D, ASN17A, ASP14A, GLN15A, GLN16A, GLU18D, GLU2A, GLU45D, GLY12A, HIS43D, ILE19A, ILE8A, LEU18A, LEU46D, LYS10A, PHE11A, PHE42D, PHE6A, PRO13A, PRO17D, SER44D, SER47A, SER48A, SER5A, SER7A, THR1A, THR3A, THR9A, TRP19D, TRP40D, TYR41D, TYR46A, VAL20D
• B-C: ALA47B, ARG21B, ASN17C, ASP14C, GLN15C, GLN16C, GLU18B, GLU2C, GLU45B, GLY12C, HIS43B, ILE8C, LEU18C, LEU46B, LYS10C, PHE11C, PHE42B, PHE6C, PRO13C, PRO17B, PRO49C, SER39B, SER44B, SER47C, SER48C, SER5C, SER7C, THR1C, THR3C, THR9C, TRP19B, TRP40B, TYR41B, TYR46C, VAL20B
• B-D: ARG21B, ARG21D, HIS43B, HIS43D, TYR41B, TYR41D
• C-D: ALA117C, ALA153C, ALA160C, ALA165C, ALA168C, ALA26D, ALA30D, ALA33D, ALA34D, ALA36C, ALA44C, ALA47D, ALA61C, ALA73C, ALA80C, ALA88C, ARG135C, ARG21D, ARG30C, ARG38C, ARG43C, ASN142C, ASN148C, ASN156C, ASN161C, ASN167C, ASN171C, ASN17C, ASN181C, ASN39C, ASN59C, ASN62C, ASN75C, ASN78C, ASN7D, ASP121C, ASP140C, ASP23C, ASP54C, ASP72C, ASP81C, ASP91C, GLN114C, GLN155C, GLN15C, GLN21C, GLN95C, GLU119C, GLU14D, GLU159C, GLU18D, GLU1D, GLU29C, GLU2C, GLU31D, GLU36D, GLU45D, GLU8D, GLY102C, GLY138C, GLY157C, GLY22C, GLY23D, GLY24C, GLY29D, GLY42C, GLY58C, GLY82C, GLY97C, GLY98C, GLY99C, HIS136C, HIS35D, HIS43D, HIS51C, ILE137C, ILE139C, ILE147C, ILE164C, ILE19C, ILE22D, ILE50C, ILE52C, ILE71C, ILE87C, ILE8C, LEU101C, LEU12D, LEU154C, LEU173C, LEU177C, LEU18C, LEU31C, LEU33C, LEU38D, LEU45C, LEU46D, LEU6D, LYS10C, LYS111C, LYS13D, LYS150C, LYS158C, LYS28C, LYS35C, LYS56C, PHE104C, PHE11C, PHE120C, PHE123C, PHE15D, PHE166C, PHE20C, PHE24D, PHE32D, PHE42D, PHE63C, PHE67C, PHE69C, PHE6C, PHE83C, PHE85C, PHE86C, PRO11D, PRO17D, PRO180C, PRO49C, PRO74C, PRO89C, PRO94C, SER113C, SER146C, SER151C, SER176C, SER25D, SER39D, SER3D, SER44D, SER47C, SER48C, SER55C, SER5C, SER66C, SER7C, THR115C, THR122C, THR149C, THR170C, THR174C, THR178C, THR1C, THR26C, THR27C, THR27D, THR28D, THR2D, THR32C, THR34C, THR3C, THR40C, THR4C, THR57C, THR5D, THR65C, THR68C, THR84C, THR92C, THR96C, THR9C, TRP152C, TRP19D, TRP40D, TRP53C, TYR100C, TYR109C, TYR124C, TYR179C, TYR25C, TYR41D, TYR46C, TYR4D, TYR77C, VAL103C, VAL10D, VAL116C, VAL118C, VAL141C, VAL162C, VAL163C, VAL16D, VAL172C, VAL175C, VAL20D, VAL37C, VAL37D, VAL41C, VAL60C, VAL64C, VAL70C, VAL79C, VAL90C, VAL9D