3NO4

crystal structure of a creatinine amidohydrolase (npun_f1913) from nostoc punctiforme pcc 73102 at 2.00 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 126
  • Norm. En. per Res.: -3.9697
• 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	-139.3354	-54.1136	-746.032	-939.481	237	33	20	29507	9	49	50
A-C	-11.6074	-21.6871	-17.8869	-51.1815	17	1	0	790	1	8	10
B-C	-66.5606	-120.8959	-312.723	-500.1795	126	9	10	12170	7	37	24

Interface residues

• A-B: ALA13A, ALA13B, ALA168A, ALA168B, ALA183A, ALA183B, ALA187A, ALA187B, ALA202A, ALA202B, ALA203A, ALA203B, ALA41A, ALA41B, ALA46B, ALA49B, ALA54B, ALA68A, ALA68B, ALA73A, ALA73B, ALA97A, ALA97B, ALA99A, ALA99B, ARG206A, ARG206B, ARG213A, ARG213B, ARG81A, ARG81B, ARG90A, ARG90B, ASN64A, ASN64B, ASP-15A, ASP211A, ASP211B, ASP231B, ASP40A, ASP40B, ASP53B, ASP91A, ASP91B, CYS95A, CYS95B, GLN177B, GLN186A, GLN186B, GLN30A, GLN30B, GLN87A, GLN87B, GLN9A, GLN9B, GLU-6A, GLU-6B, GLU10A, GLU10B, GLU123A, GLU123B, GLU12A, GLU12B, GLU182A, GLU182B, GLU29A, GLU29B, GLU45A, GLU45B, GLY0B, GLY100A, GLY100B, GLY212A, GLY212B, GLY26A, GLY26B, GLY32A, GLY32B, GLY35A, GLY35B, GLY38A, GLY38B, GLY50B, GLY60A, GLY60B, GLY66A, GLY66B, GLY76A, GLY76B, HIS-10A, HIS-11A, HIS-12A, HIS-7A, HIS-9A, HIS127A, HIS127B, HIS167A, HIS167B, HIS31A, HIS31B, HIS4A, HIS4B, HIS71A, HIS71B, ILE-13A, ILE184A, ILE184B, ILE21A, ILE21B, ILE22B, ILE37A, ILE37B, ILE42A, ILE42B, ILE47B, ILE58A, ILE58B, ILE63A, ILE63B, ILE78A, ILE78B, ILE86A, ILE86B, LEU-4B, LEU131A, LEU131B, LEU15A, LEU15B, LEU175B, LEU189A, LEU189B, LEU2A, LEU2B, LEU36A, LEU36B, LEU3A, LEU3B, LEU5A, LEU5B, LEU69A, LEU69B, LEU80A, LEU80B, LEU85A, LEU85B, LEU96A, LEU96B, LYS-14A, LYS185A, LYS185B, LYS227B, LYS98A, LYS98B, PHE-2A, PHE-2B, PHE101A, PHE101B, PHE104A, PHE104B, PHE23A, PHE23B, PHE74A, PHE74B, PRO181B, PRO188A, PRO188B, PRO210A, PRO210B, PRO24A, PRO24B, PRO33A, PRO33B, PRO61A, PRO61B, PRO75A, PRO75B, PRO82A, PRO82B, SER190A, SER27A, SER27B, SER6A, SER6B, SER79A, SER79B, SER83A, SER83B, THR124B, THR176A, THR176B, THR28A, THR28B, THR34A, THR34B, THR39A, THR39B, THR62A, THR62B, THR72A, THR72B, THR77A, THR77B, THR7A, THR7B, THR84A, THR84B, THR94A, THR94B, TRP8A, TRP8B, TYR-3A, TYR-3B, TYR14A, TYR14B, TYR178B, TYR180A, TYR180B, TYR209A, TYR209B, TYR230B, TYR92A, TYR92B, VAL11A, VAL11B, VAL179A, VAL179B, VAL234B, VAL59A, VAL59B, VAL65A, VAL65B, VAL88A, VAL88B, VAL89A, VAL89B, VAL93A, VAL93B
• A-C: ALA126C, ARG90A, ARG90C, ASP130A, ASP130C, CYS95A, GLN132A, GLN132C, GLU123C, GLU129C, HIS127A, HIS127C, ILE133A, LEU131A, LEU131C, LYS98A, THR94A
• B-C: ALA115B, ALA115C, ALA119B, ALA119C, ALA120B, ALA120C, ALA126B, ALA126C, ALA136B, ALA136C, ALA202B, ALA202C, ALA203B, ALA203C, ALA247B, ALA247C, ALA68B, ALA68C, ALA73B, ALA73C, ARG198B, ARG198C, ARG206B, ARG206C, ARG208B, ARG208C, ARG81B, ARG81C, ARG90B, ARG90C, ASN113B, ASN113C, ASN135B, ASN246B, ASN246C, ASP130B, ASP130C, ASP204B, ASP204C, ASP248B, ASP248C, CYS141B, CYS141C, GLN137B, GLN137C, GLN138B, GLN138C, GLN140B, GLN140C, GLN142B, GLN142C, GLN87B, GLN87C, GLU123B, GLU123C, GLU129B, GLU129C, GLU243B, GLU243C, GLY111C, GLY112B, GLY112C, HIS110B, HIS127B, HIS127C, HIS70B, HIS70C, ILE114B, ILE114C, ILE199B, ILE199C, ILE86B, ILE86C, LEU117B, LEU117C, LEU128B, LEU128C, LEU69B, LEU69C, LEU80B, LEU80C, LEU85B, LEU85C, LYS103B, LYS103C, LYS118B, LYS118C, PHE104B, PHE104C, PHE121B, PHE121C, PHE205B, PHE205C, PHE244B, PHE244C, PRO82B, PRO82C, SER122B, SER122C, SER201B, SER201C, SER79B, SER79C, SER83B, SER83C, THR116B, THR116C, THR124B, THR124C, THR72B, THR72C, THR84B, THR84C, TYR105B, TYR125B, TYR125C, TYR200B, TYR200C, VAL139B, VAL139C, VAL143B, VAL143C, VAL207B, VAL207C, VAL245B, VAL245C