3KWO

crystal structure of putative bacterioferritin from campylobacter jejuni

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 111
  • Norm. En. per Res.: -3.3575
• 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-B	-9.412	0.0	-108.814	-118.226	46	5	3	4444	0	3	4
A-C	-21.6286	-98.9775	-252.079	-372.6852	111	15	1	10203	10	34	61
B-C	0.0	-19.495	-71.1776	-90.6726	44	1	1	2920	2	11	12
B-D	0.0	-18.1952	-73.8019	-91.9971	44	2	1	2954	2	12	12
C-D	0.0	-19.2491	-73.1194	-92.3685	44	1	1	2928	2	10	13

Interface residues

• A-B: ALA141B, ALA146B, ASN27A, ASP84A, CYS147B, CYS85A, GLN144B, GLN32A, GLN32B, GLU38A, GLU41A, GLU90A, GLU90B, GLY140B, GLY145B, GLY30A, GLY30B, HIS25A, HIS37A, ILE139B, ILE36B, ILE92B, LEU143B, LEU31A, LEU31B, LEU89B, LYS134B, LYS29A, LYS83A, PHE33A, PHE34A, PHE86A, PRO88A, PRO88B, SER135B, SER35A, SER35B, THR142B, THR87A, THR87B, TRP137B, TRP26A, TYR39B, VAL28A, VAL91A, VAL91B
• A-C: ALA12A, ALA12C, ALA14A, ALA14C, ALA48A, ALA48C, ALA55A, ALA55C, ALA65A, ALA65C, ALA76A, ALA76C, ALA82A, ALA82C, ARG57A, ARG57C, ASN23A, ASN23C, ASN27A, ASN27C, ASN75A, ASN75C, ASP13A, ASP13C, ASP52A, ASP52C, ASP84A, ASP84C, CYS54A, CYS54C, CYS68A, CYS68C, CYS85A, CYS85C, GLN11A, GLN11C, GLN69A, GLN69C, GLU41A, GLU41C, GLU45A, GLU45C, GLU49A, GLU49C, GLU56A, GLU56C, GLU63A, GLU63C, GLU74A, GLU74C, HIS15A, HIS15C, HIS16A, HIS16C, HIS22A, HIS22C, HIS25A, HIS25C, HIS37A, HIS37C, ILE66A, ILE66C, LEU17A, LEU17C, LEU50A, LEU50C, LEU59A, LEU59C, LEU72A, LEU72C, LYS20A, LYS20C, LYS29A, LYS29C, LYS64A, LYS64C, LYS70A, LYS70C, LYS77A, LYS80A, LYS80C, LYS83A, LYS83C, PHE21A, PHE21C, PHE33A, PHE33C, PHE51A, PHE51C, PHE86A, PHE86C, SER53A, SER53C, SER78A, THR67A, THR67C, TRP18A, TRP18C, TRP26A, TRP26C, TYR24A, TYR24C, TYR44A, TYR44C, VAL19A, VAL19C, VAL28A, VAL28C, VAL71C, VAL81A, VAL81C
• B-C: ALA122B, ALA122C, ALA123B, ALA123C, ALA125B, ALA130B, ALA141B, ALA55C, ARG57C, ASN110B, ASN128B, ASP118C, ASP52C, CYS147B, GLN126B, GLN126C, GLN60C, GLU111B, GLU114B, GLU116C, GLU127B, GLU133B, GLU56C, GLU63C, GLY62C, ILE129B, LEU103B, LEU136B, LEU59C, LEU61C, LYS107B, LYS131B, LYS134B, LYS64C, PHE124C, SER117C, SER135B, SER53C, THR119C, THR120C, THR121C, TRP137B, TYR132B, VAL58C
• B-D: ALA122B, ALA122D, ALA123B, ALA123D, ALA125D, ALA130D, ALA141D, ALA55B, ARG57B, ASN110D, ASN128D, ASP118B, ASP52B, CYS147D, GLN126B, GLN126D, GLN60B, GLU111D, GLU114D, GLU116B, GLU127B, GLU127D, GLU133D, GLU56B, GLY62B, ILE129D, LEU103D, LEU136D, LEU59B, LEU61B, LYS107D, LYS131D, LYS134D, LYS64B, PHE124B, SER117B, SER135D, SER53B, THR119B, THR120B, THR121B, TRP137D, TYR132D, VAL58B
• C-D: ALA122C, ALA122D, ALA123C, ALA123D, ALA125C, ALA130C, ALA141C, ALA55D, ARG57D, ASN110C, ASN128C, ASP118D, ASP52D, CYS147C, GLN126C, GLN126D, GLN60D, GLU111C, GLU114C, GLU116D, GLU127C, GLU127D, GLU133C, GLU56D, GLY62D, ILE129C, LEU103C, LEU136C, LEU59D, LEU61D, LYS107C, LYS131C, LYS134C, LYS64D, PHE124D, SER117D, SER135C, SER53D, THR119D, THR120D, THR121D, TRP137C, TYR132C, VAL58D