2CBY

crystal structure of the atp-dependent clp protease proteolytic subunit 1 (clpp1) from mycobacterium tuberculosis

• Total interactions analyzed: 21
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 125
  • Norm. En. per Res.: -3.7577
• 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	-71.2318	-73.7787	-324.705	-469.7156	125	13	14	13455	6	27	22
A-G	-34.1623	-65.6509	-297.51	-397.3232	123	14	14	12850	6	22	23
B-C	-53.731	-67.0118	-311.532	-432.2747	124	14	15	13341	6	23	22
C-D	-40.3908	-70.0923	-316.061	-426.5441	126	8	14	13456	6	24	23
D-E	-66.5605	-69.4013	-305.165	-441.1269	125	16	13	13387	5	22	22
E-F	-40.4507	-73.1016	-319.362	-432.9143	123	7	13	13108	6	25	22
F-G	-33.449	-67.7033	-270.039	-371.1913	115	18	11	12078	6	20	22

Interface residues

• A-B: ALA114B, ALA118B, ALA137A, ALA140A, ALA144A, ALA177B, ALA193B, ALA41A, ALA46A, ALA52A, ALA53A, ALA56A, ALA73A, ALA76A, ALA84A, ALA92B, ALA97B, ARG119B, ARG152A, ARG171B, ARG173B, ARG192B, ARG23A, ARG23B, ARG28A, ARG28B, ARG43A, ASN37A, ASN42A, ASN65B, ASP172B, ASP18A, ASP18B, ASP38A, ASP55A, ASP79A, CYS45A, CYS86A, GLN139A, GLN142A, GLN47A, GLU141A, GLU149A, GLU179B, GLU22A, GLU22B, GLU27A, GLU27B, GLU39A, GLU54A, GLY33B, GLY74A, GLY94B, HIS117B, HIS123B, HIS194B, ILE120B, ILE138A, ILE146A, ILE190B, ILE29B, ILE30A, ILE30B, ILE40A, ILE48A, ILE64B, ILE71A, ILE77A, LEU115B, LEU121B, LEU153A, LEU16B, LEU24A, LEU24B, LEU25A, LEU25B, LEU32B, LEU44A, LEU49A, LEU50A, LEU51A, LEU83A, LYS148A, MET122B, MET150A, MET75A, MET81A, MET93B, MET95B, PHE102A, PHE143A, PHE157A, PHE175B, PHE31A, PHE31B, PRO116B, PRO67B, PRO85A, SER15A, SER15B, SER19A, SER19B, SER26A, SER26B, SER34B, SER61B, SER66B, SER70A, SER72A, THR176B, THR17A, THR17B, THR191B, THR80A, TRP174B, TYR113B, TYR21A, TYR21B, TYR63B, TYR78A, TYR91B, VAL145A, VAL20A, VAL20B, VAL82A
• A-G: ALA114A, ALA118A, ALA137G, ALA140G, ALA144G, ALA177A, ALA193A, ALA41G, ALA46G, ALA52G, ALA53G, ALA56G, ALA73G, ALA76G, ALA84G, ALA92A, ALA97A, ARG119A, ARG152G, ARG171A, ARG173A, ARG192A, ARG23A, ARG23G, ARG28A, ARG28G, ARG43G, ASN37G, ASN42G, ASN65A, ASP172A, ASP18A, ASP18G, ASP38G, ASP79G, CYS45G, CYS86G, GLN139G, GLN142G, GLN47G, GLU141G, GLU149G, GLU179A, GLU22A, GLU22G, GLU27A, GLU27G, GLU39G, GLU54G, GLY33A, GLY94A, HIS117A, HIS123A, ILE120A, ILE136G, ILE138G, ILE146G, ILE190A, ILE29A, ILE30A, ILE30G, ILE40G, ILE48G, ILE64A, ILE71G, ILE77G, LEU115A, LEU121A, LEU153G, LEU16A, LEU24A, LEU24G, LEU25A, LEU25G, LEU32A, LEU44G, LEU49G, LEU50G, LEU51G, LEU83G, LYS147G, MET122A, MET150G, MET75G, MET81G, MET93A, MET95A, PHE102G, PHE143G, PHE157G, PHE175A, PHE31A, PHE31G, PRO116A, PRO67A, PRO85G, SER15A, SER15G, SER19A, SER19G, SER26A, SER26G, SER34A, SER61A, SER66A, SER70G, SER72G, THR176A, THR17A, THR17G, THR191A, THR80G, TRP174A, TYR113A, TYR21A, TYR21G, TYR63A, TYR78G, TYR91A, VAL145G, VAL20A, VAL20G, VAL82G
• B-C: ALA114C, ALA118C, ALA137B, ALA140B, ALA144B, ALA177C, ALA193C, ALA41B, ALA46B, ALA52B, ALA53B, ALA56B, ALA73B, ALA76B, ALA84B, ALA92C, ALA96C, ALA97C, ARG119C, ARG152B, ARG171C, ARG173C, ARG192C, ARG23B, ARG23C, ARG28B, ARG28C, ARG43B, ASN37B, ASN42B, ASN65C, ASP172C, ASP18B, ASP18C, ASP38B, ASP79B, ASP87B, CYS45B, CYS86B, GLN139B, GLN142B, GLN47B, GLU141B, GLU149B, GLU179C, GLU22B, GLU22C, GLU27C, GLU39B, GLU54B, GLY33C, GLY94C, HIS117C, ILE120C, ILE138B, ILE146B, ILE189C, ILE190C, ILE29C, ILE30B, ILE30C, ILE40B, ILE48B, ILE64C, ILE71B, ILE77B, ILE88B, LEU115C, LEU121C, LEU153B, LEU16C, LEU24B, LEU24C, LEU25B, LEU25C, LEU32C, LEU44B, LEU49B, LEU50B, LEU51B, LEU83B, MET122C, MET150B, MET75B, MET81B, MET93C, MET95C, PHE102B, PHE143B, PHE157B, PHE175C, PHE31B, PHE31C, PRO116C, PRO67C, PRO85B, SER15B, SER15C, SER19B, SER19C, SER26B, SER26C, SER34C, SER61C, SER66C, SER70B, SER72B, THR108B, THR176C, THR17B, THR17C, THR191C, THR80B, TRP174C, TYR113C, TYR21B, TYR21C, TYR63C, TYR78B, TYR91C, VAL145B, VAL20B, VAL20C, VAL82B
• C-D: ALA114D, ALA118D, ALA137C, ALA140C, ALA144C, ALA177D, ALA193D, ALA41C, ALA46C, ALA52C, ALA53C, ALA56C, ALA73C, ALA76C, ALA84C, ALA92D, ALA97D, ARG119D, ARG152C, ARG171D, ARG173D, ARG192D, ARG23C, ARG23D, ARG28C, ARG28D, ARG43C, ASN37C, ASN42C, ASN65D, ASP170D, ASP172D, ASP18C, ASP18D, ASP38C, ASP55C, ASP79C, ASP87C, CYS45C, CYS86C, GLN139C, GLN142C, GLN47C, GLU141C, GLU149C, GLU179D, GLU22C, GLU22D, GLU27D, GLU39C, GLU54C, GLY33D, GLY94D, HIS117D, HIS194D, ILE120D, ILE136C, ILE138C, ILE146C, ILE190D, ILE29D, ILE30C, ILE30D, ILE40C, ILE48C, ILE64D, ILE71C, ILE77C, LEU115D, LEU121D, LEU153C, LEU16D, LEU24C, LEU24D, LEU25C, LEU25D, LEU32D, LEU44C, LEU49C, LEU50C, LEU51C, LEU83C, MET122D, MET150C, MET75C, MET81C, MET93D, MET95D, PHE102C, PHE143C, PHE157C, PHE175D, PHE31C, PHE31D, PRO116D, PRO67D, PRO85C, SER15C, SER15D, SER19C, SER19D, SER26C, SER26D, SER34D, SER57C, SER61D, SER66D, SER70C, SER72C, THR176D, THR17C, THR17D, THR191D, THR80C, TRP174D, TYR113D, TYR21C, TYR21D, TYR63D, TYR78C, TYR91D, VAL145C, VAL195D, VAL20C, VAL20D, VAL82C
• D-E: ALA114E, ALA118E, ALA137D, ALA140D, ALA144D, ALA177E, ALA193E, ALA41D, ALA46D, ALA52D, ALA53D, ALA56D, ALA73D, ALA76D, ALA84D, ALA92E, ALA97E, ARG119E, ARG152D, ARG171E, ARG173E, ARG192E, ARG23D, ARG23E, ARG28E, ARG43D, ASN37D, ASN42D, ASN65E, ASP172E, ASP18D, ASP18E, ASP38D, ASP55D, ASP79D, ASP87D, CYS45D, CYS86D, GLN139D, GLN142D, GLN47D, GLU141D, GLU149D, GLU179E, GLU22D, GLU22E, GLU27E, GLU35E, GLU39D, GLU54D, GLY33E, GLY94E, HIS117E, ILE120E, ILE136D, ILE138D, ILE146D, ILE190E, ILE29E, ILE30D, ILE30E, ILE40D, ILE48D, ILE64E, ILE71D, ILE77D, ILE88D, LEU115E, LEU121E, LEU153D, LEU16E, LEU24D, LEU24E, LEU25D, LEU25E, LEU32E, LEU44D, LEU49D, LEU50D, LEU51D, LEU83D, MET122E, MET150D, MET75D, MET81D, MET93E, MET95E, PHE102D, PHE143D, PHE157D, PHE175E, PHE31D, PHE31E, PRO116E, PRO67E, PRO85D, SER15D, SER15E, SER19D, SER19E, SER26D, SER26E, SER34E, SER57D, SER61E, SER66E, SER70D, SER72D, THR108D, THR176E, THR17D, THR17E, THR191E, THR80D, TRP174E, TYR113E, TYR21D, TYR21E, TYR63E, TYR78D, TYR91E, VAL145D, VAL20D, VAL20E, VAL82D
• E-F: ALA114F, ALA118F, ALA137E, ALA140E, ALA144E, ALA177F, ALA193F, ALA41E, ALA46E, ALA52E, ALA53E, ALA56E, ALA73E, ALA76E, ALA84E, ALA92F, ALA97F, ARG119F, ARG152E, ARG171F, ARG173F, ARG192F, ARG23E, ARG23F, ARG28E, ARG28F, ARG43E, ASN42E, ASN65F, ASP172F, ASP18E, ASP18F, ASP38E, ASP55E, ASP79E, CYS45E, CYS86E, GLN139E, GLN142E, GLN47E, GLU141E, GLU149E, GLU179F, GLU22E, GLU22F, GLU27E, GLU27F, GLU39E, GLU54E, GLY33F, GLY74E, GLY94F, HIS117F, HIS123F, HIS194F, ILE120F, ILE138E, ILE146E, ILE190F, ILE29F, ILE30E, ILE30F, ILE40E, ILE48E, ILE71E, ILE77E, LEU115F, LEU121F, LEU153E, LEU16F, LEU24E, LEU24F, LEU25E, LEU25F, LEU32F, LEU44E, LEU49E, LEU50E, LEU51E, LEU83E, LYS148E, MET122F, MET150E, MET75E, MET81E, MET93F, MET95F, PHE102E, PHE143E, PHE157E, PHE175F, PHE31E, PHE31F, PRO116F, PRO67F, PRO85E, SER15E, SER15F, SER19E, SER19F, SER26E, SER26F, SER34F, SER61F, SER66F, SER70E, SER72E, THR176F, THR17E, THR17F, THR191F, THR80E, TRP174F, TYR113F, TYR21E, TYR21F, TYR63F, TYR78E, TYR91F, VAL145E, VAL20E, VAL20F, VAL82E
• F-G: ALA114G, ALA118G, ALA137F, ALA140F, ALA144F, ALA177G, ALA41F, ALA46F, ALA52F, ALA53F, ALA73F, ALA76F, ALA84F, ALA92G, ALA96G, ALA97G, ARG119G, ARG152F, ARG171G, ARG173G, ARG23F, ARG23G, ARG28F, ARG43F, ASN37F, ASN42F, ASN65G, ASP172G, ASP18F, ASP18G, ASP38F, ASP79F, CYS45F, GLN139F, GLN142F, GLN47F, GLU141F, GLU149F, GLU179G, GLU22F, GLU22G, GLU27G, GLU39F, GLU54F, GLY33G, GLY94G, HIS117G, HIS123G, ILE120G, ILE138F, ILE146F, ILE190G, ILE29G, ILE30F, ILE30G, ILE40F, ILE48F, ILE64G, ILE71F, ILE77F, LEU115G, LEU121G, LEU153F, LEU16G, LEU24F, LEU24G, LEU25F, LEU25G, LEU32G, LEU44F, LEU49F, LEU50F, LEU51F, LEU83F, MET122G, MET150F, MET75F, MET81F, MET93G, MET95G, PHE102F, PHE143F, PHE157F, PHE175G, PHE31F, PHE31G, PRO116G, PRO67G, SER15F, SER15G, SER19F, SER19G, SER26F, SER26G, SER34G, SER61G, SER66G, SER70F, SER72F, THR176G, THR17F, THR17G, THR191G, THR80F, TRP174G, TYR113G, TYR21F, TYR21G, TYR63G, TYR78F, TYR91G, VAL145F, VAL20F, VAL20G, VAL82F