3BVI

structural basis for the iron uptake mechanism of helicobacter pylori ferritin

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 76
  • Norm. En. per Res.: -3.3214
• Hub Node: A(4)

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	0.0	0.0	-1.4895	-1.4895	7	0	0	180	0	2	2
A-C	-28.3278	-35.4225	-179.994	-243.7443	77	6	2	7186	1	26	31
A-D	-25.7818	-0.997	-116.688	-143.4668	48	3	4	4697	2	13	13
A-F	-61.7207	7.7425	-346.428	-400.4062	144	14	4	13983	0	22	21
B-D	-30.1578	-6.3315	-107.449	-143.9382	47	5	4	4676	2	13	13
B-E	-28.8997	5.775	-333.506	-356.6307	140	13	4	13801	0	22	21
C-D	-44.8333	4.5394	-339.434	-379.7279	142	14	4	13908	0	22	21
D-E	-37.008	-29.7669	-185.65	-252.4249	76	6	2	7274	1	27	31

Interface residues

• A-B: ASN148A, ASN148B, GLU147A, HIS149A, HIS149B, LEU153A, LEU153B
• A-C: ALA108A, ALA108C, ALA115C, ALA125A, ASN102A, ASN103A, ASN118A, ASN118C, ASN62C, ASN64C, ASN65C, ASP1001C, ASP106A, ASP113C, ASP136A, ASP139A, GLN1002C, GLN121A, GLN121C, GLN127A, GLN88A, GLN95A, GLU126A, GLU129A, GLU130A, GLU131A, GLU142A, GLU63C, GLU92A, GLU94A, GLU99A, GLY145A, HIS1004C, HIS1005C, HIS107A, HIS114A, HIS114C, HIS128A, ILE101A, ILE104A, ILE109A, ILE109C, ILE137A, ILE141A, ILE144A, LEU120A, LEU133A, LEU138A, LEU143A, LEU2C, LEU61C, LYS110A, LYS110C, LYS112C, LYS135A, LYS140A, MET1C, PHE117A, PHE117C, PHE119C, PHE134A, PHE60C, PHE87A, PRO0C, SER1003C, SER111C, SER98A, THR116C, THR84A, TRP122A, TYR123A, TYR91A, VAL105A, VAL105C, VAL124A, VAL132A, VAL66C
• A-D: ALA154A, ALA154D, ALA39D, ASN146A, ASN148A, ASN148D, ASP136A, ASP139A, ASP155A, ASP155D, ASP37D, CYS31D, GLN156A, GLN156D, GLU142A, GLU147A, GLU147D, GLY145A, GLY150A, GLY150D, GLY38D, GLY40D, HIS149A, HIS149D, HIS34D, ILE141A, ILE144A, ILE161A, LEU138A, LEU143A, LEU151A, LEU151D, LEU153A, LEU153D, LEU36D, LEU83D, LYS135A, LYS140A, LYS159D, LYS163D, SER164A, SER35D, THR33D, TYR152A, TYR152D, TYR157A, TYR32D, VAL158A
• A-F: 13.70820CB7.9112, 5HISCBHIS34F, ALA47A, ALA47F, ALA48A, ALA48F, ALA54A, ALA54F, ALA75A, ALA75F, ASN11F, ASN146F, ASN15A, ASN15F, ASN19A, ASN19F, ASN22A, ASN22F, ASN62A, ASN62F, ASN64A, ASN64F, ASN65A, ASN65F, ASP1001A, ASP1001F, ASP37A, ASP37F, ASP45A, ASP45F, CYS31A, CYS31F, GLN1002A, GLN1002F, GLN69A, GLN69F, GLU17A, GLU17F, GLU49A, GLU49F, GLU50A, GLU50F, GLU52A, GLU52F, GLU63A, GLU63F, GLU77A, GLU77F, GLY40A, GLY40F, GLY82A, GLY82F, HIS1004A, HIS1004F, HIS1005A, HIS1005F, HIS34A, HIS34F, HIS46A, HIS46F, HIS78A, HIS78F, ILE58A, ILE58F, ILE59A, ILE59F, ILE73A, ILE73F, LEU151A, LEU151F, LEU23A, LEU23F, LEU36A, LEU36F, LEU41A, LEU41F, LEU43A, LEU43F, LEU57A, LEU57F, LEU61A, LEU61F, LEU70A, LEU70F, LEU83A, LEU83F, LYS166A, LYS166F, LYS55A, LYS55F, LYS56A, LYS56F, MET18A, MET18F, MET1F, MET25A, MET25F, MET27A, MET27F, PHE44A, PHE44F, PHE60A, PHE60F, PRO0A, PRO0F, PRO67A, PRO67F, PRO76A, PRO76F, SER1003A, SER1003F, SER20F, SER21A, SER21F, SER26A, SER26F, SER28A, SER28F, SER29A, SER29F, SER35A, SER35F, SER72A, SER72F, SER74A, SER74F, THR33A, THR33F, THR71A, THR71F, TRP30A, TRP30F, TYR24A, TYR24F, TYR32A, TYR32F, TYR51A, TYR51F, VAL14A, VAL14F, VAL66A, VAL66F, VAL68A, VAL68F
• B-D: ALA154B, ALA154D, ALA39B, ASN146D, ASN148B, ASN148D, ASP136D, ASP139D, ASP155B, ASP37B, CYS31B, GLN156B, GLN156D, GLU142D, GLU147B, GLU147D, GLY145D, GLY150B, GLY150D, GLY38B, GLY40B, HIS149B, HIS149D, HIS34B, ILE141D, ILE144D, ILE161D, LEU138D, LEU143D, LEU151B, LEU151D, LEU153B, LEU153D, LEU36B, LEU83B, LYS135D, LYS140D, LYS159B, LYS163B, SER164D, SER35B, THR33B, TYR152B, TYR152D, TYR157D, TYR32B, VAL158D
• B-E: ALA47B, ALA47E, ALA48B, ALA48E, ALA54B, ALA54E, ALA75B, ALA75E, ASN11B, ASN11E, ASN146B, ASN146E, ASN148B, ASN148E, ASN15B, ASN15E, ASN19B, ASN19E, ASN22B, ASN22E, ASN62B, ASN62E, ASN64B, ASN64E, ASN65B, ASN65E, ASP1001B, ASP1001E, ASP37B, ASP37E, ASP45B, ASP45E, CYS31B, CYS31E, GLN1002B, GLN1002E, GLN69B, GLN69E, GLU49B, GLU49E, GLU50B, GLU50E, GLU52B, GLU52E, GLU63B, GLU63E, GLU77B, GLU77E, GLY40B, GLY40E, GLY82B, GLY82E, HIS1004B, HIS1004E, HIS1005B, HIS1005E, HIS34B, HIS34E, HIS78B, HIS78E, ILE58B, ILE58E, ILE59B, ILE59E, ILE73B, ILE73E, LEU151B, LEU151E, LEU23B, LEU23E, LEU36B, LEU36E, LEU41B, LEU41E, LEU43B, LEU43E, LEU57B, LEU57E, LEU61B, LEU61E, LEU70B, LEU70E, LEU83B, LEU83E, LYS166B, LYS166E, LYS55B, LYS55E, LYS56B, LYS56E, MET18B, MET18E, MET25B, MET25E, MET27B, MET27E, PHE44B, PHE44E, PHE60B, PHE60E, PRO0B, PRO0E, PRO67B, PRO67E, PRO76B, PRO76E, SER1003B, SER1003E, SER21B, SER21E, SER26B, SER26E, SER28B, SER28E, SER29B, SER29E, SER35B, SER35E, SER72B, SER72E, SER74B, SER74E, THR33B, THR33E, THR71B, THR71E, TRP30B, TRP30E, TYR24B, TYR24E, TYR32B, TYR32E, TYR51B, TYR51E, VAL14B, VAL14E, VAL66B, VAL66E, VAL68B, VAL68E
• C-D: ALA47C, ALA47D, ALA48C, ALA48D, ALA54C, ALA54D, ALA75C, ALA75D, ASN11C, ASN146C, ASN148D, ASN15C, ASN15D, ASN19C, ASN19D, ASN22C, ASN22D, ASN62C, ASN62D, ASN64C, ASN64D, ASN65C, ASN65D, ASP1001C, ASP1001D, ASP37C, ASP37D, ASP45C, ASP45D, CYS31C, CYS31D, GLN1002C, GLN1002D, GLN69C, GLN69D, GLU17D, GLU49C, GLU49D, GLU50C, GLU50D, GLU52C, GLU52D, GLU63C, GLU63D, GLU77C, GLU77D, GLY40C, GLY40D, GLY82C, GLY82D, HIS1004C, HIS1004D, HIS1005C, HIS1005D, HIS34C, HIS34D, HIS46C, HIS46D, HIS78C, HIS78D, ILE58C, ILE58D, ILE59C, ILE59D, ILE73C, ILE73D, LEU151C, LEU151D, LEU23C, LEU23D, LEU36C, LEU36D, LEU41C, LEU41D, LEU43C, LEU57C, LEU57D, LEU61C, LEU61D, LEU70C, LEU70D, LEU83C, LEU83D, LYS166C, LYS55C, LYS55D, LYS56C, LYS56D, LYS79D, MET18C, MET18D, MET1C, MET1D, MET25C, MET25D, MET27C, MET27D, PHE44C, PHE44D, PHE60C, PHE60D, PRO0C, PRO0D, PRO67C, PRO67D, PRO76C, PRO76D, SER1003C, SER1003D, SER20D, SER21C, SER21D, SER26C, SER26D, SER28C, SER28D, SER29C, SER29D, SER35C, SER35D, SER72C, SER72D, SER74C, SER74D, THR33C, THR33D, THR71C, THR71D, TRP30C, TRP30D, TYR24C, TYR24D, TYR32C, TYR32D, TYR51C, TYR51D, VAL14C, VAL14D, VAL66C, VAL66D, VAL68C, VAL68D
• D-E: ALA108D, ALA108E, ALA115E, ALA125D, ASN102D, ASN103D, ASN118D, ASN118E, ASN62E, ASN64E, ASN65E, ASP1001E, ASP106D, ASP113E, ASP136D, ASP139D, GLN1002E, GLN121D, GLN121E, GLN127D, GLN88D, GLN95D, GLU126D, GLU129D, GLU130D, GLU131D, GLU142D, GLU63E, GLU92D, GLU94D, GLU99D, GLY145D, HIS1004E, HIS1005E, HIS107D, HIS114D, HIS114E, HIS128D, ILE101D, ILE104D, ILE109D, ILE109E, ILE137D, ILE141D, ILE144D, LEU120D, LEU133D, LEU138D, LEU143D, LEU2E, LEU61E, LYS110D, LYS110E, LYS112E, LYS135D, LYS140D, MET1E, PHE117D, PHE117E, PHE119E, PHE134D, PHE60E, PHE87D, PRO0E, SER1003E, SER111E, SER98D, THR116E, TRP122D, TYR123D, TYR91D, VAL105D, VAL105E, VAL124D, VAL132D, VAL66E