3OED

the structure of the complex between complement receptor cr2 and its ligand complement fragment c3d

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 125
  • Norm. En. per Res.: -3.4708
• 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-C	-96.7377	-83.9224	-253.186	-433.8461	125	14	12	11257	9	38	36
A-D	-4.8144	0.0	-11.6041	-16.4185	19	0	0	423	0	1	1
C-B	0.0	0.0	-8.8935	-8.8935	20	0	0	454	0	1	0
C-D	0.0	14.4554	-110.352	-95.8966	65	2	0	5101	0	22	23
B-D	-74.7139	-15.2043	-225.998	-315.9162	125	14	12	10932	6	37	31

Interface residues

• A-C: ALA101A, ALA161A, ALA204A, ALA22C, ALA287A, ALA293A, ALA96A, ARG13C, ARG208A, ARG28C, ARG36C, ARG49A, ARG83C, ARG89C, ASN98A, ASP103A, ASP163A, ASP252A, ASP292A, ASP36A, ASP56C, ASP92C, CYS108A, CYS112C, CYS165A, CYS31C, CYS45C, GLN105A, GLN159A, GLN168A, GLN205A, GLN249A, GLN288A, GLN290A, GLN50A, GLU160A, GLU166A, GLU167A, GLU37A, GLU39A, GLU40C, GLU54A, GLY207A, GLY24C, GLY33C, GLY84C, GLY91C, HIS33A, HIS90C, ILE100A, ILE102A, ILE14C, ILE164A, ILE176A, ILE21C, ILE27C, ILE46C, ILE56A, ILE82C, LEU107A, LEU248A, LEU250A, LEU35A, LEU37C, LEU43C, LEU44C, LEU53A, LEU95A, LEU99A, LYS108C, LYS162A, LYS210A, LYS251A, LYS291A, LYS41C, LYS48C, LYS57A, LYS57C, LYS67C, LYS81C, MET206A, PHE253A, PHE35C, PHE65C, PHE93A, PRO173A, PRO294A, PRO6C, PRO87C, SER104A, SER109C, SER15C, SER18C, SER30C, SER32C, SER42C, SER85C, SER93C, SER94A, THR177A, THR19C, THR25C, THR34C, THR38A, THR86C, THR95C, TRP111C, TRP118C, TRP41A, TRP55C, TYR16C, TYR17C, TYR201A, TYR289A, TYR29C, TYR34A, TYR60A, TYR88C, VAL106A, VAL23C, VAL26C, VAL32A, VAL90A, VAL94C, VAL97A
• A-D: ASN105D, ASN170A, GLN168A, GLU166A, GLU167A, GLY106D, GLY174A, LEU116A, LYS48D, MET104D, PRO173A, SER103D, SER128D, SER171A, THR125D, THR177A, VAL127D, VAL129D, VAL169A
• C-B: ASN105C, ASN170B, CYS126C, GLN168B, GLU166B, GLU167B, GLY106C, GLY174B, LEU172B, LYS48C, MET104C, PRO173B, SER103C, SER128C, SER171B, THR125C, THR177B, VAL127C, VAL129C, VAL169B
• C-D: ALA59C, ALA59D, ALA97C, ALA97D, ASN101C, ASN101D, ASP49C, ASP49D, ASP52C, ASP52D, ASP56C, ASP56D, CYS3C, CYS3D, CYS45D, CYS98C, CYS98D, GLY4C, GLY4D, GLY53C, GLY53D, ILE46C, ILE46D, LEU43C, LEU43D, LEU44C, LEU44D, LYS48C, LYS48D, LYS50C, LYS50D, LYS57C, LYS57D, LYS61D, LYS99C, LYS99D, PHE102C, PHE102D, PRO58C, PRO58D, PRO6C, PRO6D, PRO7C, PRO7D, PRO8C, PRO8D, SER5C, SER5D, THR100C, THR100D, THR121D, THR47C, THR47D, THR54C, THR54D, TRP55C, TRP55D, TYR29C, TYR29D, TYR80C, TYR80D, VAL129C, VAL129D, VAL51C, VAL51D
• B-D: ALA101B, ALA161B, ALA202B, ALA204B, ALA22D, ALA293B, ALA96B, ALA97D, ARG13D, ARG208B, ARG28D, ARG36D, ARG49B, ARG83D, ARG89D, ASN98B, ASP103B, ASP163B, ASP252B, ASP292B, ASP36B, ASP56D, ASP92D, CYS108B, CYS165B, CYS31D, CYS45D, GLN105B, GLN159B, GLN168B, GLN205B, GLN249B, GLN288B, GLN290B, GLN50B, GLU160B, GLU166B, GLU167B, GLU37B, GLU39B, GLU40D, GLU54B, GLY174B, GLY180B, GLY207B, GLY24D, GLY33D, GLY84D, HIS33B, HIS90D, ILE100B, ILE102B, ILE14D, ILE164B, ILE176B, ILE21D, ILE27D, ILE46D, ILE56B, ILE82D, LEU107B, LEU155B, LEU247B, LEU248B, LEU250B, LEU35B, LEU37D, LEU43D, LEU44D, LEU53B, LEU95B, LEU99B, LYS108D, LYS162B, LYS210B, LYS251B, LYS291B, LYS41D, LYS48D, LYS57B, LYS57D, LYS67D, LYS81D, MET206B, PHE253B, PHE35D, PHE65D, PHE93B, PRO173B, PRO20D, PRO294B, PRO6D, PRO87D, SER104B, SER109D, SER15D, SER18D, SER30D, SER32D, SER42D, SER85D, SER93D, SER94B, THR177B, THR19D, THR25D, THR34D, THR38B, THR86D, THR95D, TRP111D, TRP41B, TRP55D, TYR16D, TYR17D, TYR289B, TYR29D, TYR34B, TYR60B, TYR88D, VAL106B, VAL23D, VAL26D, VAL32B, VAL97B