3TJ9

crystal structure of helicobacter pylori uree bound to zn2+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -4.9524
• 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	-64.5885	-6.3802	-404.459	-475.4278	96	24	17	15543	4	22	29
A-C	-8.5584	10.5437	-76.7305	-74.7451	63	7	0	3983	0	29	45
A-D	-421.9913	-476.9574	3424.07	2525.1213	76	386	2	6619	6	32	38
B-C	-4.9926	0.0	-4.6239	-9.6165	11	0	0	183	0	6	11
B-D	0.0	10.0844	-51.5025	-41.4181	50	6	0	2551	0	21	38
C-D	-51.5159	-2.7872	-417.745	-472.0482	96	26	18	15508	4	22	26

Interface residues

• A-B: ALA103A, ALA103B, ALA104A, ALA104B, ALA124A, ALA124B, ALA85A, ALA85B, ALA89A, ALA89B, ALA92A, ALA92B, ARG101A, ARG101B, ARG145A, ARG145B, ARG31A, ARG31B, ASN100A, ASN100B, CYS95A, CYS95B, GLN111A, GLN111B, GLU113A, GLU113B, GLU154A, GLU90A, GLU90B, GLU97A, GLU97B, GLY99A, GLY99B, HIS102A, HIS102B, HIS152A, HIS152B, ILE94A, ILE94B, ILE98A, ILE98B, LEU105A, LEU105B, LEU123A, LEU125A, LEU125B, LEU126A, LEU126B, LEU129A, LEU129B, LEU146A, LEU146B, LEU55A, LYS120A, LYS128A, LYS128B, LYS54A, LYS93A, LYS93B, MET150A, MET150B, PHE112A, PHE112B, PHE114A, PHE114B, PRO117A, PRO121A, PRO121B, PRO151A, PRO151B, PRO155A, SER110A, SER110B, SER149A, SER149B, SER153A, SER153B, SER87A, SER87B, THR116A, THR116B, THR122A, THR147A, THR147B, TYR106A, TYR106B, TYR107A, TYR107B, TYR96A, TYR96B, VAL148A, VAL148B, VAL88A, VAL88B, VAL91A, VAL91B
• A-C: ALA103A, ALA103C, ALA104A, ALA124C, ALA46A, ALA52C, ARG101A, ARG101C, ARG145A, ARG31A, ARG31C, ARG48A, ARG48C, ASN100C, ASP51A, ASP51C, GLU154A, GLU154C, GLU26A, GLU29A, GLU4A, GLU97C, GLY56A, GLY99A, GLY99C, HIS102A, HIS102C, HIS152A, HIS152C, ILE2A, ILE34A, ILE34C, ILE98A, LEU125C, LEU49A, LEU49C, LEU55A, LYS128C, LYS32A, LYS33A, LYS33C, LYS50A, LYS50C, LYS54A, LYS54C, MET150A, MET150C, PHE28A, PRO121C, PRO151A, PRO151C, PRO155A, PRO53A, PRO53C, SER149A, SER149C, SER153A, SER153C, THR122C, THR147A, THR30A, TRP27A, VAL148A
• A-D: ALA103A, ALA103D, ALA104A, ALA104D, ALA124A, ALA124D, ALA35A, ALA35D, ARG101A, ARG101D, ARG145A, ARG145D, ARG31A, ARG31D, ARG36D, ASN100A, ASN100D, ASP77A, ASP77D, GLU119A, GLU119D, GLU127A, GLU154A, GLU154D, GLU26A, GLU26D, GLU29A, GLU29D, GLU79A, GLU79D, GLY99A, GLY99D, HIS102A, HIS102D, HIS152A, HIS152D, ILE34A, ILE34D, LEU123A, LEU123D, LEU125A, LEU125D, LEU76A, LYS120A, LYS120D, LYS128A, LYS128D, LYS32A, LYS32D, LYS33D, MET150A, MET150D, PHE118A, PHE118D, PHE28A, PHE28D, PRO117A, PRO117D, PRO121A, PRO121D, PRO151A, PRO151D, PRO155A, SER137D, SER149A, SER149D, SER153A, SER153D, SER78A, SER78D, THR122A, THR122D, TRP27A, TRP27D, VAL148A, VAL148D
• B-C: ARG101B, ASN100B, ASN100C, HIS102B, HIS102C, HIS152B, HIS152C, SER153B, SER153C, TYR96B, TYR96C
• B-D: ALA103B, ALA103D, ALA104D, ALA52B, ARG101B, ARG101D, ARG145D, ARG31B, ARG31D, ARG48D, ASN100B, ASP51B, GLU154D, GLU26D, GLU29D, GLU4D, GLU97B, GLY99B, GLY99D, HIS102B, HIS102D, HIS152B, HIS152D, ILE2D, ILE34B, ILE34D, ILE98B, LEU125B, LEU49B, LEU55D, LYS32D, LYS33B, LYS50B, LYS50D, LYS54B, LYS54D, MET150B, MET150D, PHE28D, PRO121B, PRO151B, PRO151D, SER149B, SER149D, SER153B, SER153D, THR147D, THR30D, TRP27D, VAL148D
• C-D: ALA103C, ALA103D, ALA104C, ALA104D, ALA124C, ALA124D, ALA85C, ALA85D, ALA89C, ALA89D, ALA92C, ALA92D, ARG101C, ARG101D, ARG145C, ARG145D, ARG31C, ARG31D, ASN100C, ASN100D, CYS95C, CYS95D, GLN111C, GLN111D, GLU113C, GLU113D, GLU127D, GLU144C, GLU154C, GLU154D, GLU90C, GLU90D, GLU97C, GLU97D, GLY99C, GLY99D, HIS102C, HIS102D, HIS152C, HIS152D, ILE94C, ILE94D, ILE98C, ILE98D, LEU105C, LEU105D, LEU123D, LEU125C, LEU125D, LEU126D, LEU129C, LEU129D, LEU146C, LEU146D, LEU55C, LYS120D, LYS128C, LYS128D, LYS93C, LYS93D, MET150C, MET150D, PHE112C, PHE112D, PHE114C, PHE114D, PRO117C, PRO121C, PRO121D, PRO151C, PRO151D, SER110C, SER110D, SER149C, SER149D, SER153C, SER153D, SER87C, SER87D, THR116C, THR116D, THR122D, THR147C, THR147D, TYR106C, TYR106D, TYR107C, TYR107D, TYR96C, TYR96D, VAL148C, VAL148D, VAL88C, VAL88D, VAL91C, VAL91D