3ST9

crystal structure of clpp in heptameric form from staphylococcus aureus

• Total interactions analyzed: 21
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 120
  • Norm. En. per Res.: -2.453
• 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-F	-12.9082	2.8401	-277.154	-287.222	120	9	11	12070	0	23	19
A-G	-14.664	11.8665	-271.524	-274.3214	117	10	10	12172	0	18	16
B-D	-14.2397	12.9788	-263.037	-264.2979	114	9	10	11483	0	18	14
B-G	-13.5127	8.4118	-289.261	-294.3618	120	12	10	12348	0	21	17
C-D	-14.8155	9.6833	-260.593	-265.7252	118	19	11	11893	0	18	14
C-E	-13.5794	6.8714	-256.855	-263.5631	116	8	10	11378	0	19	15
E-F	-15.0703	8.378	-270.928	-277.6203	116	12	10	11644	0	19	15

Interface residues

• A-F: ALA114F, ALA118F, ALA133A, ALA139A, ALA140A, ALA177F, ALA41A, ALA53A, ALA73A, ALA76A, ALA96F, ALA97F, ARG152A, ARG157A, ARG171F, ARG23F, ASN117F, ASN141A, ASN173F, ASN39A, ASN42A, ASN65F, ASP172F, ASP19A, ASP19F, ASP27F, ASP37A, ASP38A, ASP79A, ASP87A, CYS92F, GLN130F, GLN35F, GLN47A, GLN52A, GLN54A, GLN82A, GLU119F, GLU135A, GLU137A, GLU148A, GLU179F, GLU193F, GLY33F, GLY68F, GLY74A, GLY94F, HIS123F, HIS142A, HIS83A, ILE136A, ILE138A, ILE143A, ILE153A, ILE20F, ILE29F, ILE30A, ILE30F, ILE44A, ILE64F, ILE77A, ILE81A, ILE84A, ILE91F, ILE93F, LEU115F, LEU144A, LEU150A, LEU175F, LEU24F, LEU25A, LEU25F, LEU32F, LEU48A, LEU49A, LEU51A, LYS145A, LYS149A, LYS26A, LYS26F, LYS85A, MET121F, MET190F, MET31F, MET95F, PHE102A, PHE113F, PHE174F, PHE50A, PHE75A, PRO116F, PRO125F, PRO192F, PRO67F, PRO86A, SER22A, SER22F, SER34F, SER43A, SER46A, SER56A, SER66F, SER70A, SER98F, THR134A, THR146A, THR176F, THR194F, THR72A, THR80A, TYR21A, TYR21F, TYR61F, TYR63F, TYR78A, VAL120F, VAL189F, VAL191F, VAL45A, VAL71A
• A-G: ALA114A, ALA118A, ALA133G, ALA139G, ALA140G, ALA177A, ALA41G, ALA53G, ALA73G, ALA76G, ALA96A, ALA97A, ARG157G, ARG23A, ARG23G, ASN117A, ASN141G, ASN173A, ASN39G, ASN42G, ASN65A, ASP172A, ASP19A, ASP19G, ASP27A, ASP27G, ASP37G, ASP38G, ASP79G, CYS92A, GLN132A, GLN35A, GLN47G, GLN52G, GLN54G, GLN82G, GLU119A, GLU135G, GLU137G, GLU179A, GLY131A, GLY33A, GLY68A, GLY74G, GLY94A, HIS123A, HIS83G, ILE136G, ILE138G, ILE143G, ILE153G, ILE20A, ILE29A, ILE30A, ILE30G, ILE44G, ILE64A, ILE77G, ILE81G, ILE84G, ILE91A, ILE93A, LEU115A, LEU144G, LEU150G, LEU175A, LEU24A, LEU24G, LEU25A, LEU25G, LEU32A, LEU48G, LEU49G, LEU51G, LYS145G, LYS149G, LYS26A, LYS26G, LYS85G, MET121A, MET190A, MET31A, MET95A, PHE102G, PHE113A, PHE174A, PHE50G, PHE75G, PRO116A, PRO125A, PRO192A, PRO67A, SER22A, SER22G, SER34A, SER43G, SER46G, SER66A, SER70G, SER98A, THR134G, THR146G, THR176A, THR72G, THR80G, TYR18A, TYR21A, TYR21G, TYR61A, TYR63A, TYR78G, VAL120A, VAL189A, VAL191A, VAL40G, VAL45G, VAL71G
• B-D: ALA114B, ALA118B, ALA139D, ALA140D, ALA177B, ALA41D, ALA53D, ALA73D, ALA76D, ALA96B, ALA97B, ARG152D, ARG157D, ARG23B, ARG23D, ASN117B, ASN141D, ASN173B, ASN39D, ASN42D, ASN65B, ASP172B, ASP19B, ASP19D, ASP27B, ASP37D, ASP38D, ASP79D, CYS92B, GLN35B, GLN47D, GLN52D, GLN54D, GLN82D, GLU119B, GLU135D, GLU137D, GLU178B, GLU179B, GLY33B, GLY68B, GLY94B, HIS123B, HIS142D, HIS83D, ILE136D, ILE138D, ILE143D, ILE153D, ILE20B, ILE29B, ILE30B, ILE30D, ILE44D, ILE64B, ILE77D, ILE81D, ILE84D, ILE91B, ILE93B, LEU115B, LEU144D, LEU150D, LEU175B, LEU24B, LEU25B, LEU25D, LEU32B, LEU48D, LEU49D, LEU51D, LYS145D, LYS149D, LYS26B, LYS26D, LYS85D, MET121B, MET190B, MET31B, MET95B, PHE102D, PHE113B, PHE174B, PHE50D, PHE75D, PRO116B, PRO125B, PRO192B, PRO67B, SER22B, SER22D, SER34B, SER43D, SER46D, SER66B, SER98B, THR134D, THR146D, THR176B, THR72D, THR80D, TYR18B, TYR18D, TYR21B, TYR21D, TYR61B, TYR63B, TYR78D, VAL120B, VAL189B, VAL191B, VAL40D, VAL45D, VAL71D
• B-G: ALA114G, ALA118G, ALA133B, ALA139B, ALA140B, ALA177G, ALA41B, ALA53B, ALA73B, ALA76B, ALA96G, ALA97G, ARG152B, ARG157B, ARG171G, ARG23B, ARG23G, ASN117G, ASN141B, ASN173G, ASN39B, ASN42B, ASN65G, ASP172G, ASP19B, ASP19G, ASP27G, ASP37B, ASP38B, ASP79B, ASP87B, CYS92G, GLN130G, GLN35G, GLN47B, GLN52B, GLN54B, GLN82B, GLN89G, GLU119G, GLU135B, GLU137B, GLU178G, GLU179G, GLU193G, GLY33G, GLY68G, GLY69G, GLY74B, GLY94G, HIS123G, HIS142B, HIS83B, ILE136B, ILE138B, ILE143B, ILE153B, ILE20G, ILE29G, ILE30B, ILE30G, ILE44B, ILE64G, ILE77B, ILE81B, ILE84B, ILE91G, ILE93G, LEU115G, LEU144B, LEU150B, LEU175G, LEU24G, LEU25B, LEU25G, LEU32G, LEU48B, LEU49B, LEU51B, LYS145B, LYS149B, LYS26B, LYS26G, LYS85B, MET121G, MET190G, MET31G, MET95G, PHE102B, PHE113G, PHE174G, PHE50B, PHE75B, PRO116G, PRO125G, PRO192G, PRO67G, PRO86B, SER22B, SER22G, SER34G, SER43B, SER46B, SER66G, SER70B, SER98G, THR134B, THR146B, THR176G, THR72B, THR80B, TYR21B, TYR21G, TYR61G, TYR63G, TYR78B, VAL120G, VAL191G, VAL45B, VAL71B
• C-D: ALA114D, ALA118D, ALA133C, ALA139C, ALA140C, ALA177D, ALA41C, ALA53C, ALA73C, ALA76C, ALA96D, ALA97D, ARG152C, ARG157C, ARG23C, ARG23D, ASN117D, ASN141C, ASN173D, ASN39C, ASN42C, ASN65D, ASP172D, ASP19C, ASP19D, ASP27D, ASP37C, ASP38C, ASP79C, CYS92D, GLN35D, GLN47C, GLN52C, GLN54C, GLN82C, GLN89D, GLU119D, GLU135C, GLU137C, GLU179D, GLU188D, GLY33D, GLY68D, GLY74C, GLY94D, HIS123D, HIS142C, HIS83C, ILE136C, ILE138C, ILE143C, ILE153C, ILE20D, ILE29D, ILE30C, ILE30D, ILE44C, ILE64D, ILE77C, ILE81C, ILE84C, ILE91D, ILE93D, LEU115D, LEU144C, LEU150C, LEU175D, LEU24C, LEU24D, LEU25C, LEU25D, LEU32D, LEU48C, LEU49C, LEU51C, LYS145C, LYS149C, LYS26C, LYS26D, LYS85C, MET121D, MET190D, MET31D, MET95D, PHE102C, PHE113D, PHE174D, PHE50C, PHE75C, PRO116D, PRO125D, PRO192D, PRO67D, SER22C, SER22D, SER34D, SER43C, SER46C, SER66D, SER70C, SER98D, THR134C, THR146C, THR176D, THR72C, THR80C, TYR18C, TYR18D, TYR21C, TYR21D, TYR61D, TYR63D, TYR78C, VAL120D, VAL191D, VAL40C, VAL45C, VAL71C
• C-E: ALA114C, ALA118C, ALA133E, ALA139E, ALA140E, ALA177C, ALA41E, ALA53E, ALA73E, ALA76E, ALA96C, ALA97C, ARG152E, ARG157E, ARG23C, ASN117C, ASN141E, ASN173C, ASN39E, ASN42E, ASN65C, ASP172C, ASP19C, ASP19E, ASP27C, ASP37E, ASP38E, ASP79E, CYS92C, GLN130C, GLN35C, GLN47E, GLN52E, GLN54E, GLN82E, GLU119C, GLU135E, GLU137E, GLU178C, GLU179C, GLY33C, GLY68C, GLY69C, GLY74E, GLY94C, HIS123C, HIS142E, HIS83E, ILE136E, ILE138E, ILE143E, ILE153E, ILE20C, ILE29C, ILE30C, ILE30E, ILE44E, ILE64C, ILE77E, ILE81E, ILE84E, ILE91C, ILE93C, LEU115C, LEU144E, LEU150E, LEU175C, LEU24C, LEU25C, LEU25E, LEU32C, LEU48E, LEU49E, LEU51E, LYS145E, LYS149E, LYS26C, LYS26E, LYS85E, MET121C, MET190C, MET31C, MET95C, PHE102E, PHE113C, PHE174C, PHE50E, PHE75E, PRO116C, PRO125C, PRO192C, PRO67C, SER22E, SER34C, SER43E, SER46E, SER66C, SER70E, SER98C, THR134E, THR146E, THR176C, THR72E, THR80E, TYR18C, TYR21C, TYR21E, TYR61C, TYR63C, TYR78E, VAL120C, VAL189C, VAL191C, VAL40E, VAL45E, VAL71E
• E-F: ALA114E, ALA118E, ALA133F, ALA139F, ALA140F, ALA177E, ALA180E, ALA41F, ALA53F, ALA73F, ALA76F, ALA96E, ALA97E, ARG157F, ARG23E, ARG23F, ASN117E, ASN141F, ASN173E, ASN39F, ASN42F, ASN65E, ASP172E, ASP19E, ASP19F, ASP27E, ASP37F, ASP38F, ASP79F, CYS92E, GLN130E, GLN35E, GLN47F, GLN52F, GLN54F, GLN82F, GLU119E, GLU135F, GLU137F, GLU178E, GLU179E, GLY33E, GLY68E, GLY69E, GLY74F, GLY94E, HIS123E, HIS142F, HIS83F, ILE136F, ILE138F, ILE143F, ILE153F, ILE20E, ILE29E, ILE30E, ILE30F, ILE44F, ILE64E, ILE77F, ILE81F, ILE84F, ILE91E, ILE93E, LEU115E, LEU144F, LEU150F, LEU175E, LEU24E, LEU25E, LEU25F, LEU32E, LEU48F, LEU49F, LEU51F, LYS145F, LYS149F, LYS26E, LYS85F, MET121E, MET190E, MET31E, MET95E, PHE102F, PHE113E, PHE174E, PHE50F, PHE75F, PRO116E, PRO125E, PRO192E, PRO67E, SER22E, SER22F, SER34E, SER43F, SER46F, SER66E, SER70F, SER98E, THR134F, THR146F, THR176E, THR72F, THR80F, TYR21E, TYR21F, TYR61E, TYR63E, TYR78F, VAL120E, VAL189E, VAL191E, VAL40F, VAL45F, VAL71F