3NXZ

crystal structure of uree from helicobacter pylori (cu2+ bound form)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 76
  • Norm. En. per Res.: -4.5232
• 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	0.0	19.736	-12.7162	7.0198	34	0	0	661	0	29	23
A-C	0.0	0.0	-0.992	-0.992	4	0	0	55	0	0	4
A-D	-38.7933	12.0491	-317.018	-343.7622	76	25	19	12329	0	15	16
B-C	-42.0965	11.7855	-289.641	-319.952	73	34	17	11421	0	11	14
B-D	0.0	0.0	-1.593	-1.593	8	0	0	86	0	0	4
C-D	0.0	7.7603	-6.5527	1.2076	20	0	0	380	0	19	15

Interface residues

• A-B: ARG101A, ARG101B, ARG31A, ASN100A, ASN100B, ASP77B, GLU119A, GLU119B, GLU26A, GLU26B, GLU29A, GLU29B, GLU79B, HIS102A, HIS102B, ILE34A, LEU76B, LYS120A, LYS120B, LYS32A, LYS32B, LYS33A, LYS33B, LYS38A, LYS38B, LYS54A, PHE118B, PHE28A, PHE28B, PHE37B, PRO121B, SER149A, SER78B, VAL148A
• A-C: ASN100A, ASN100C, HIS102A, HIS102C
• A-D: ALA103A, ALA103D, ALA104A, ALA104D, ALA85A, ALA85D, ALA89A, ALA89D, ALA92A, ALA92D, ARG101A, ARG101D, ARG145A, ARG145D, ASN100A, ASN100D, CYS95A, CYS95D, GLN111A, GLN111D, GLU113A, GLU113D, GLU144A, GLU90A, GLU90D, GLU97A, GLU97D, GLY99A, GLY99D, HIS102A, HIS102D, ILE94A, ILE94D, ILE98A, ILE98D, LEU105A, LEU105D, LEU125A, LEU125D, LEU129A, LEU129D, LEU146A, LEU146D, LEU55A, LEU55D, LYS128A, LYS128D, LYS54A, LYS93A, LYS93D, MET150D, PHE112A, PHE112D, PHE114A, PHE114D, PRO117A, SER149A, SER149D, SER87A, SER87D, THR116A, THR116D, THR147A, THR147D, TYR106A, TYR106D, TYR107A, TYR107D, TYR96A, TYR96D, VAL148A, VAL148D, VAL88A, VAL88D, VAL91A, VAL91D
• B-C: ALA103B, ALA103C, ALA104B, ALA104C, ALA85B, ALA85C, ALA89B, ALA89C, ALA92B, ALA92C, ARG101B, ARG101C, ARG145B, ARG145C, ASN100B, ASN100C, CYS95B, CYS95C, GLN111B, GLN111C, GLU113B, GLU113C, GLU144C, GLU90B, GLU90C, GLU97B, GLU97C, GLY99B, GLY99C, HIS102B, HIS102C, ILE94B, ILE94C, ILE98B, ILE98C, LEU105B, LEU105C, LEU125B, LEU125C, LEU129B, LEU129C, LEU146B, LEU146C, LEU55B, LEU55C, LYS128B, LYS128C, LYS54B, LYS93B, LYS93C, PHE112B, PHE112C, PHE114B, PHE114C, PRO117B, SER149C, SER87B, SER87C, THR116B, THR116C, THR147B, THR147C, TYR106B, TYR107B, TYR107C, TYR96B, TYR96C, VAL148B, VAL148C, VAL88B, VAL88C, VAL91B, VAL91C
• B-D: ASN100B, ASN100D, HIS102B, HIS102D, LYS120B, LYS120D, LYS128B, LYS128D
• C-D: ARG101C, ARG101D, ASN100C, ASN100D, GLU26D, GLU29C, GLU29D, HIS102C, HIS102D, LEU76D, LYS120D, LYS32C, LYS32D, LYS33C, LYS38C, LYS38D, MET150D, PHE118D, PHE28C, PHE28D