3QBU

crystal structure of putative peptidoglyacn deactelyase (hp0310) from helicobacter pylori

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 191
  • Norm. En. per Res.: -3.9591
• 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	-66.8244	-105.1967	-578.468	-750.4891	192	37	6	23694	11	64	61
A-C	-51.4461	-102.7085	-585.105	-739.2596	191	37	6	23766	11	64	60
A-D	0.0	0.0	-0.478	-0.478	10	0	0	78	0	2	1
B-C	0.0	0.0	-0.4671	-0.4671	10	0	0	83	0	2	1
B-D	-68.9652	-106.4082	-580.821	-756.1944	191	32	6	23496	11	64	60
C-D	-39.5573	-72.1589	-590.606	-702.3222	191	36	6	23758	12	64	60

Interface residues

• A-B: ALA125A, ALA15B, ALA174A, ALA17B, ALA194A, ALA252B, ALA38B, ALA95B, ARG160A, ARG183A, ARG220A, ARG220B, ARG235A, ARG253B, ARG34B, ARG45B, ASN132A, ASN152A, ASN195A, ASN212A, ASN212B, ASN92A, ASN92B, ASP103B, ASP146A, ASP153A, ASP163A, ASP169A, ASP176A, ASP199A, ASP200A, ASP200B, ASP221A, ASP221B, ASP228A, ASP231A, ASP249B, ASP27B, ASP30B, ASP31B, GLN100B, GLN224A, GLN229A, GLN255B, GLN72B, GLU101B, GLU102B, GLU110B, GLU129A, GLU173A, GLU191A, GLU236A, GLU261B, GLU265B, GLU26B, GLU40B, GLU67B, GLU71B, GLU91B, GLY184A, GLY18B, GLY215A, GLY215B, GLY21B, GLY25B, GLY35B, GLY39B, GLY42B, GLY63B, GLY87B, HIS147A, HIS151A, HIS64B, HIS90B, ILE133A, ILE168A, ILE182A, ILE207A, ILE207B, ILE222A, ILE227A, ILE32B, ILE66B, ILE94A, ILE94B, LEU105B, LEU106B, LEU111B, LEU149A, LEU172A, LEU181A, LEU198A, LEU201A, LEU201B, LEU20B, LEU257B, LEU258B, LEU36B, LEU46B, LEU49B, LYS107B, LYS167A, LYS175A, LYS179A, LYS208B, LYS209B, LYS262B, LYS48B, LYS52B, LYS99B, MET150A, MET178A, MET204A, MET204B, MET205B, MET225A, MET237A, MET259B, MET96B, PHE130A, PHE154A, PHE206B, PHE214A, PHE214B, PHE216B, PHE230A, PHE242A, PHE37B, PHE69B, PRO126A, PRO126B, PRO180A, PRO193A, PRO202A, PRO202B, PRO203A, PRO203B, PRO211A, PRO211B, PRO219B, PRO248B, PRO254B, PRO29B, PRO70B, PRO93A, PRO93B, SER108B, SER131A, SER148A, SER164A, SER166A, SER171A, SER210A, SER210B, SER213A, SER213B, SER218A, SER218B, SER22A, SER22B, SER251B, SER28B, SER33B, SER65B, SER89B, SER97B, THR155A, THR68B, TRP127A, TRP128A, TRP165A, TRP177A, TRP196A, TRP19B, TRP226A, TRP232A, TYR157A, TYR170A, TYR197A, TYR234A, TYR23A, TYR53B, TYR88B, VAL104B, VAL159A, VAL16B, VAL217A, VAL217B, VAL233A, VAL250B, VAL256B, VAL41B
• A-C: ALA125C, ALA15A, ALA174C, ALA17A, ALA194C, ALA252A, ALA38A, ALA95A, ARG160C, ARG183C, ARG220A, ARG220C, ARG235C, ARG253A, ARG34A, ARG45A, ASN132C, ASN152C, ASN195C, ASN212A, ASN212C, ASN92A, ASN92C, ASP103A, ASP146C, ASP153C, ASP163C, ASP169C, ASP176C, ASP199C, ASP200A, ASP200C, ASP221A, ASP221C, ASP228C, ASP231C, ASP249A, ASP27A, ASP30A, ASP31A, GLN100A, GLN224C, GLN229C, GLN255A, GLN72A, GLU101A, GLU102A, GLU110A, GLU129C, GLU173C, GLU191C, GLU236C, GLU261A, GLU265A, GLU26A, GLU40A, GLU67A, GLU71A, GLU91A, GLY184C, GLY18A, GLY215A, GLY215C, GLY21A, GLY25A, GLY35A, GLY39A, GLY42A, GLY63A, GLY87A, HIS151C, HIS64A, HIS90A, ILE133C, ILE168C, ILE182C, ILE207A, ILE207C, ILE222C, ILE227C, ILE32A, ILE66A, ILE94A, ILE94C, LEU105A, LEU106A, LEU111A, LEU149C, LEU172C, LEU181C, LEU198C, LEU201A, LEU201C, LEU20A, LEU257A, LEU258A, LEU36A, LEU46A, LEU49A, LYS107A, LYS167C, LYS175C, LYS179C, LYS208A, LYS209A, LYS262A, LYS48A, LYS52A, LYS99A, MET150C, MET178C, MET204A, MET204C, MET205A, MET225C, MET237C, MET259A, MET96A, PHE130C, PHE154C, PHE206A, PHE214A, PHE214C, PHE216A, PHE230C, PHE242C, PHE37A, PHE69A, PRO126A, PRO126C, PRO180C, PRO193C, PRO202A, PRO202C, PRO203A, PRO203C, PRO211A, PRO211C, PRO219A, PRO248A, PRO254A, PRO29A, PRO70A, PRO93A, PRO93C, SER108A, SER131C, SER148C, SER164C, SER166C, SER171C, SER210A, SER210C, SER213A, SER213C, SER218A, SER218C, SER22A, SER22C, SER251A, SER28A, SER33A, SER65A, SER89A, SER97A, THR155C, THR68A, TRP127C, TRP128C, TRP165C, TRP177C, TRP196C, TRP19A, TRP226C, TRP232C, TYR157C, TYR170C, TYR197C, TYR234C, TYR23C, TYR53A, TYR88A, VAL104A, VAL159C, VAL16A, VAL217A, VAL217C, VAL233C, VAL250A, VAL256A, VAL41A
• A-D: ASN212A, ASN212D, ASP221A, ASP221D, PHE214A, PHE214D, PRO211A, PRO211D, SER213A, SER213D
• B-C: ASN212B, ASN212C, ASP221B, ASP221C, PHE214B, PHE214C, PRO211B, PRO211C, SER213B, SER213C
• B-D: ALA125B, ALA15D, ALA174B, ALA17D, ALA194B, ALA252D, ALA38D, ALA95D, ARG160B, ARG183B, ARG220B, ARG220D, ARG235B, ARG253D, ARG34D, ARG45D, ASN132B, ASN152B, ASN195B, ASN212B, ASN212D, ASN92B, ASN92D, ASP103D, ASP146B, ASP153B, ASP163B, ASP169B, ASP176B, ASP199B, ASP200B, ASP200D, ASP221B, ASP221D, ASP228B, ASP231B, ASP249D, ASP27D, ASP30D, ASP31D, GLN100D, GLN224B, GLN229B, GLN255D, GLN72D, GLU101D, GLU102D, GLU110D, GLU129B, GLU173B, GLU191B, GLU236B, GLU261D, GLU265D, GLU26D, GLU40D, GLU67D, GLU71D, GLU91D, GLY184B, GLY18D, GLY215B, GLY215D, GLY21D, GLY25D, GLY35D, GLY39D, GLY42D, GLY63D, GLY87D, HIS147B, HIS151B, HIS64D, HIS90D, ILE133B, ILE168B, ILE182B, ILE207B, ILE207D, ILE222B, ILE227B, ILE32D, ILE66D, ILE94B, ILE94D, LEU105D, LEU106D, LEU111D, LEU149B, LEU172B, LEU181B, LEU198B, LEU201B, LEU201D, LEU20D, LEU257D, LEU258D, LEU36D, LEU46D, LEU49D, LYS107D, LYS167B, LYS175B, LYS179B, LYS208D, LYS209D, LYS262D, LYS48D, LYS52D, LYS99D, MET150B, MET178B, MET204B, MET204D, MET205D, MET225B, MET237B, MET259D, MET96D, PHE130B, PHE154B, PHE206D, PHE214B, PHE214D, PHE216D, PHE230B, PHE242B, PHE37D, PHE69D, PRO126B, PRO180B, PRO193B, PRO202B, PRO202D, PRO203B, PRO203D, PRO211B, PRO211D, PRO219D, PRO248D, PRO254D, PRO29D, PRO70D, PRO93B, PRO93D, SER108D, SER131B, SER148B, SER164B, SER166B, SER171B, SER210B, SER210D, SER213B, SER213D, SER218B, SER218D, SER22B, SER22D, SER251D, SER28D, SER33D, SER65D, SER89D, SER97D, THR155B, THR68D, TRP127B, TRP128B, TRP165B, TRP177B, TRP196B, TRP19D, TRP226B, TRP232B, TYR157B, TYR170B, TYR197B, TYR234B, TYR23B, TYR53D, TYR88D, VAL104D, VAL159B, VAL16D, VAL217B, VAL217D, VAL233B, VAL250D, VAL256D, VAL41D
• C-D: ALA125D, ALA15C, ALA174D, ALA17C, ALA194D, ALA252C, ALA38C, ALA95C, ARG160D, ARG183D, ARG220C, ARG220D, ARG235D, ARG253C, ARG34C, ARG45C, ASN132D, ASN152D, ASN195D, ASN212C, ASN212D, ASN92C, ASN92D, ASP103C, ASP146D, ASP153D, ASP163D, ASP169D, ASP176D, ASP199D, ASP200C, ASP200D, ASP221C, ASP221D, ASP228D, ASP231D, ASP249C, ASP27C, ASP30C, ASP31C, GLN100C, GLN224D, GLN229D, GLN255C, GLN72C, GLU101C, GLU102C, GLU110C, GLU129D, GLU173D, GLU191D, GLU236D, GLU261C, GLU265C, GLU26C, GLU40C, GLU67C, GLU71C, GLU91C, GLY184D, GLY18C, GLY215C, GLY215D, GLY21C, GLY25C, GLY35C, GLY39C, GLY42C, GLY63C, GLY87C, HIS147D, HIS151D, HIS64C, HIS90C, ILE133D, ILE168D, ILE182D, ILE207C, ILE207D, ILE222D, ILE227D, ILE32C, ILE66C, ILE94C, ILE94D, LEU105C, LEU106C, LEU111C, LEU149D, LEU172D, LEU181D, LEU198D, LEU201C, LEU201D, LEU20C, LEU257C, LEU258C, LEU36C, LEU46C, LEU49C, LYS107C, LYS167D, LYS175D, LYS179D, LYS208C, LYS209C, LYS262C, LYS48C, LYS52C, LYS99C, MET150D, MET178D, MET204C, MET204D, MET205C, MET225D, MET237D, MET259C, MET96C, PHE130D, PHE154D, PHE206C, PHE214C, PHE214D, PHE216C, PHE230D, PHE242D, PHE37C, PHE69C, PRO126D, PRO180D, PRO193D, PRO202C, PRO202D, PRO203C, PRO203D, PRO211C, PRO211D, PRO219C, PRO248C, PRO254C, PRO29C, PRO70C, PRO93C, PRO93D, SER108C, SER131D, SER148D, SER164D, SER166D, SER171D, SER210C, SER210D, SER213C, SER213D, SER218C, SER218D, SER22C, SER22D, SER251C, SER28C, SER33C, SER65C, SER89C, SER97C, THR155D, THR68C, TRP127D, TRP128D, TRP165D, TRP177D, TRP196D, TRP19C, TRP226D, TRP232D, TYR157D, TYR170D, TYR197D, TYR234D, TYR23D, TYR53C, TYR88C, VAL104C, VAL159D, VAL16C, VAL217C, VAL217D, VAL233D, VAL250C, VAL256C, VAL41C