2CX3

crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the aeropyrum pernix k1 (form-1 crystal)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 78
  • Norm. En. per Res.: -2.9739
• 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	-23.1805	-16.6162	-128.137	-167.9337	73	11	3	5046	12	41	47
A-C	-18.3475	17.2923	-261.869	-262.9242	90	4	2	10699	2	30	21
A-D	0.0	3.8104	-92.6094	-88.799	42	11	0	3685	0	11	14
B-C	0.0	-4.0149	-58.5656	-62.5805	35	5	0	2687	0	12	10
C-D	-49.2828	-51.6549	-131.026	-231.9638	78	27	3	6158	14	43	48

Interface residues

• A-B: ALA61A, ALA61B, ALA66A, ALA66B, ALA68A, ALA68B, ALA91A, ALA91B, ARG32A, ARG32B, ARG34A, ARG34B, ARG89A, ARG89B, ASN18A, ASN18B, ASN25A, ASN25B, ASN67A, ASN67B, ASN88A, ASN88B, ASN93A, ASN93B, ASP20A, ASP20B, ASP86A, ASP86B, GLN19A, GLN19B, GLN62A, GLN62B, GLU22A, GLU22B, GLU28B, GLU64A, GLU64B, GLU69A, GLU69B, GLU87A, GLU87B, LEU63A, LEU63B, LEU71A, LEU71B, LEU90A, LEU90B, LYS59A, LYS59B, LYS65A, LYS65B, LYS82A, LYS82B, LYS83A, LYS83B, LYS85A, LYS85B, PHE21A, PHE21B, PHE92A, PHE92B, PRO23A, PRO23B, TRP79A, TRP79B, VAL152A, VAL152B, VAL24A, VAL24B, VAL29A, VAL29B, VAL70A, VAL70B
• A-C: ALA120A, ALA120C, ALA43A, ALA43C, ALA44A, ALA44C, ARG100A, ARG100C, ASN18A, ASN18C, ASN88A, ASN88C, ASN99A, ASN99C, ASP112A, ASP112C, ASP20A, ASP20C, ASP76A, ASP76C, ASP97A, ASP97C, CYS49C, CYS80A, CYS80C, GLU101A, GLU101C, GLU111A, GLU111C, GLU87A, GLU87C, GLY115A, GLY115C, HIS110A, HIS110C, ILE103A, ILE103C, LEU113A, LEU113C, LEU116A, LEU116C, LEU143A, LEU143C, LEU16A, LEU16C, LEU81A, LEU81C, LYS114A, LYS114C, LYS117A, LYS117C, LYS82A, LYS82C, LYS83A, LYS83C, PHE21A, PHE21C, PHE41C, PHE45A, PHE45C, PHE56A, PHE56C, PHE84A, PHE84C, PRO142A, PRO142C, PRO17A, PRO17C, PRO42A, PRO42C, PRO47A, PRO47C, PRO78A, PRO78C, SER46A, SER46C, SER74A, SER74C, SER77A, SER77C, SER96A, SER96C, TRP79A, TRP79C, TYR98A, TYR98C, VAL119A, VAL119C, VAL75A, VAL75C
• A-D: ALA159D, ALA68D, ARG32D, ARG34D, ARG57A, ASN67D, ASP130D, ASP58A, CYS49A, CYS54A, GLU161D, GLU28D, GLU52A, GLU69D, GLU87A, GLY131D, GLY160D, GLY33D, ILE158D, LEU143A, LEU162D, LEU30D, LEU53A, LYS10D, LYS114A, LYS128D, LYS31D, LYS51A, LYS59A, PHE45A, PHE56A, PRO129D, PRO35D, PRO47A, SER46A, THR132D, THR50A, THR55A, TYR27D, VAL163D, VAL29D, VAL48A
• B-C: ARG32B, ARG34B, ARG57C, ASP130B, ASP58C, CYS49C, CYS54C, GLU161B, GLU28B, GLU52C, GLY131B, GLY33B, LEU143C, LEU162B, LEU30B, LEU53C, LYS10B, LYS114C, LYS128B, LYS31B, LYS51C, LYS59C, PHE45C, PHE56C, PRO129B, PRO35B, PRO47C, SER46C, THR132B, THR50C, THR55C, TYR27B, VAL163B, VAL29B, VAL48C
• C-D: ALA61C, ALA61D, ALA66C, ALA66D, ALA68C, ALA68D, ALA91C, ALA91D, ARG32C, ARG32D, ARG34C, ARG34D, ARG89C, ARG89D, ASN18C, ASN18D, ASN25C, ASN25D, ASN67C, ASN67D, ASN88C, ASN88D, ASN93C, ASN93D, ASP20C, ASP20D, ASP86C, ASP86D, GLN19C, GLN19D, GLN62C, GLN62D, GLU22C, GLU22D, GLU28C, GLU28D, GLU64C, GLU64D, GLU69C, GLU69D, GLU87C, GLU87D, GLY33C, GLY33D, LEU63C, LEU63D, LEU71C, LEU71D, LEU90C, LEU90D, LEU95C, LEU95D, LYS59C, LYS59D, LYS65C, LYS65D, LYS82C, LYS82D, LYS83C, LYS83D, LYS85C, LYS85D, PHE21C, PHE21D, PHE92C, PHE92D, PRO23C, PRO23D, TRP79C, TRP79D, VAL152C, VAL152D, VAL24C, VAL24D, VAL29C, VAL29D, VAL70C, VAL70D