1RIT

crystal structure of peanut lectin in complex with meso- tetrasulphonatophenylporphyrin and lactose

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 77
  • Norm. En. per Res.: -3.1228
• 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	-16.3942	0.0	-161.788	-178.1822	77	4	1	6497	0	4	4
A-C	0.0	0.0	-3.1037	-3.1037	6	0	0	208	0	0	0
A-D	-13.4119	0.0	-238.969	-252.3809	103	16	7	11063	0	5	7
B-C	0.0	0.0	-237.274	-237.274	102	17	7	11089	0	6	7
B-D	0.0	0.0	-4.5063	-4.5063	7	0	0	214	0	0	0
C-D	-43.4753	-74.2692	-122.712	-240.4565	77	16	2	6267	6	13	7

Interface residues

• A-B: ALA17A, ALA17B, ALA1A, ALA1B, ALA49A, ALA49B, ALA58A, ALA58B, ARG201A, ARG201B, ARG53A, ARG53B, ASN15A, ASN15B, ASN19A, ASN19B, ASN29B, ASN7A, ASN7B, ASN9A, ASN9B, GLU13A, GLU13B, GLU200A, GLU200B, GLU2A, GLU2B, GLU92A, GLU92B, GLY14A, GLY14B, ILE18A, ILE18B, ILE54A, ILE54B, LEU229A, LEU229B, LEU47A, LEU47B, MET50A, MET50B, PHE11A, PHE11B, PHE20B, PHE6A, PHE6B, PHE8A, PHE8B, PRO16A, PRO16B, PRO51A, PRO51B, SER10A, SER10B, SER12A, SER12B, SER28B, SER56A, SER56B, SER5A, SER5B, THR231A, THR231B, THR232A, THR232B, THR3A, THR3B, THR59A, THR59B, TYR48A, TYR48B, VAL202A, VAL202B, VAL4A, VAL4B, VAL52A, VAL52B
• A-C: ASN182C, ASN7A, ASN9A, ASP181C, ASP184C, GLY183C
• A-D: ALA177A, ALA177D, ALA189A, ALA189D, ALA1A, ALA1D, ALA63A, ALA63D, ASN180A, ASN180D, ASN182A, ASN182D, ASP168A, ASP168D, ASP184A, ASP184D, GLN190A, GLN190D, GLU2A, GLU2D, GLY183A, GLY183D, ILE140A, ILE140D, ILE166A, ILE166D, ILE185A, ILE185D, ILE188A, ILE188D, ILE230A, ILE230D, LEU174A, LEU174D, LEU229A, LEU229D, LEU66A, LEU66D, LYS149A, LYS149D, LYS162A, LYS162D, LYS172A, LYS172D, PHE225A, PHE225D, PHE65A, PHE65D, PRO152A, PRO152D, SER169A, SER169D, SER170A, SER170D, SER175A, SER175D, SER227A, SER227D, SER5A, SER5D, SER64A, SER64D, SER68A, SER68D, THR150A, THR150D, THR164A, THR164D, THR171A, THR171D, THR173A, THR173D, THR179A, THR179D, THR186A, THR186D, THR187A, THR187D, THR226A, THR226D, THR228A, THR228D, THR3A, THR3D, THR67A, THR67D, TRP153D, TYR167A, TYR167D, VAL151A, VAL151D, VAL163A, VAL163D, VAL165A, VAL165D, VAL176A, VAL176D, VAL178A, VAL178D, VAL191A, VAL191D, VAL4A, VAL4D
• B-C: ALA177B, ALA177C, ALA189B, ALA189C, ALA1B, ALA1C, ALA63B, ALA63C, ASN180B, ASN180C, ASN182B, ASN182C, ASP168B, ASP168C, ASP184B, ASP184C, GLN190B, GLN190C, GLU2B, GLU2C, GLY183B, GLY183C, ILE140B, ILE140C, ILE166B, ILE166C, ILE185B, ILE185C, ILE188B, ILE188C, ILE230B, ILE230C, LEU174B, LEU174C, LEU229B, LEU229C, LEU66B, LEU66C, LYS149B, LYS149C, LYS162B, LYS162C, LYS172B, LYS172C, PHE225B, PHE225C, PHE65B, PHE65C, PRO152B, PRO152C, SER169B, SER169C, SER170B, SER170C, SER175B, SER175C, SER227B, SER227C, SER5B, SER5C, SER64B, SER64C, SER68B, SER68C, THR150B, THR164B, THR164C, THR171B, THR171C, THR173B, THR173C, THR179B, THR179C, THR186B, THR186C, THR187B, THR187C, THR226B, THR226C, THR228B, THR228C, THR3B, THR3C, THR67B, THR67C, TRP153C, TYR167B, TYR167C, VAL151B, VAL151C, VAL163B, VAL163C, VAL165B, VAL165C, VAL176B, VAL176C, VAL178B, VAL178C, VAL191B, VAL191C, VAL4B, VAL4C
• B-D: ASN182D, ASN7B, ASN9B, ASP181D, ASP184D, GLY183D, PHE8B
• C-D: ALA159C, ALA159D, ARG221C, ARG221D, ASN182C, ASN29C, ASN29D, ASN31C, ASN31D, ASN36C, ASN36D, ASN38C, ASN38D, ASN9C, ASN9D, ASP181C, ASP181D, ASP75C, ASP75D, GLN33C, GLN33D, GLU72C, GLU72D, GLY158C, GLY158D, GLY30C, GLY30D, HIS218C, HIS218D, ILE217C, ILE217D, ILE220C, ILE220D, ILE32C, ILE32D, ILE76C, ILE76D, LEU219C, LEU219D, LEU27C, LEU27D, LEU37C, LEU37D, LYS162C, LYS162D, LYS74C, LYS74D, LYS77C, LYS77D, MET73C, MET73D, PHE11C, PHE11D, PHE71C, PHE71D, PHE8C, PHE8D, SER10C, SER10D, SER12C, SER12D, SER157C, SER157D, SER222C, SER222D, SER28C, SER28D, SER70D, THR25C, THR25D, THR35C, THR35D, VAL160C, VAL160D, VAL161C, VAL161D, VAL26D