1M0D

crystal structure of bacteriophage t7 endonuclease i with a wild-type active site and bound manganese ions

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 178
  • Norm. En. per Res.: -6.9412
• 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	-345.0936	17.8586	-908.291	-1235.526	178	38	43	34131	2	55	56
A-C	0.0	0.0	-9.9334	-9.9334	23	7	1	872	0	6	6
A-D	-20.8614	-10.7495	-78.6489	-110.2598	43	4	0	2980	0	16	14
B-C	-18.6834	-12.3141	-71.0668	-102.0642	42	2	0	2881	0	19	14
B-D	0.0	0.0	-0.0284	-0.0284	9	0	0	22	0	2	7
C-D	-359.8002	36.2228	-862.993	-1186.5704	173	42	40	32301	2	56	56

Interface residues

• A-B: ALA121A, ALA121B, ALA127A, ALA127B, ALA47A, ALA47B, ARG141A, ARG141B, ARG144A, ARG144B, ARG82A, ARG82B, ASN49A, ASN49B, ASN60A, ASN60B, ASP122A, ASP122B, ASP140A, ASP140B, ASP21A, ASP21B, ASP55A, ASP55B, ASP73A, ASP73B, ASP74A, ASP74B, GLN26A, GLN26B, GLN84A, GLN84B, GLU128A, GLU20A, GLU20B, GLU28A, GLU28B, GLU35A, GLU35B, GLU37A, GLU37B, GLU38A, GLU38B, GLU65A, GLU65B, GLU83A, GLU83B, GLU87B, GLY18A, GLY18B, GLY31A, GLY31B, GLY68A, GLY68B, HIS50A, HIS50B, HIS78A, HIS78B, HIS85A, HIS85B, ILE125A, ILE125B, ILE130A, ILE130B, ILE32A, ILE32B, ILE45A, ILE45B, ILE62A, ILE62B, ILE81A, ILE81B, ILE90A, ILE90B, ILE92A, ILE92B, LEU124A, LEU124B, LEU142A, LEU142B, LEU19A, LEU19B, LEU27A, LEU27B, LEU57A, LEU57B, LEU58A, LEU58B, LEU69A, LEU69B, LEU80A, LEU80B, LEU88A, LEU88B, LYS123A, LYS123B, LYS131A, LYS131B, LYS143A, LYS143B, LYS145A, LYS145B, LYS22A, LYS22B, LYS25A, LYS25B, LYS30A, LYS30B, LYS33A, LYS33B, LYS40A, LYS40B, LYS67A, LYS67B, LYS76A, LYS76B, LYS77A, LYS77B, PHE139A, PHE139B, PHE34A, PHE34B, PHE56A, PHE56B, PHE63A, PHE63B, PHE94A, PHE94B, PRO126A, PRO126B, PRO138A, PRO138B, PRO42A, PRO42B, PRO46A, PRO46B, PRO54A, PRO54B, PRO59A, PRO59B, SER17A, SER17B, SER24A, SER24B, SER48A, SER48B, SER95A, SER95B, SER96A, SER96B, THR51A, THR51B, THR53A, THR53B, THR66A, THR66B, TRP129A, TRP129B, TRP39A, TRP39B, TYR36A, TYR36B, TYR43A, TYR43B, TYR52A, TYR52B, VAL137A, VAL137B, VAL23A, VAL23B, VAL41A, VAL41B, VAL44A, VAL44B, VAL64A, VAL64B, VAL93A, VAL93B
• A-C: ARG75A, GLU71A, GLU71C, GLY104A, GLY104C, GLY68C, LEU101C, LEU69A, LEU69C, LYS103A, LYS103C, LYS67C, SER105A, SER105C, SER72A, SER72C, THR99C, TRP70A, TRP70C, TYR102A, TYR102C, TYR109A, TYR109C
• A-D: ALA121A, ALA127A, ARG75D, ARG98A, ASP122A, ASP73D, CYS113A, GLU114A, GLU128A, GLU71D, GLY104D, GLY110A, GLY18D, GLY68D, HIS50A, ILE118A, ILE125A, ILE92A, LEU101D, LEU124A, LEU69D, LYS100D, LYS103D, LYS119A, LYS123A, LYS22D, LYS76D, PHE120A, PHE94A, PRO106D, PRO126A, SER105D, SER72D, SER95A, SER96A, SER97A, THR99A, THR99D, TRP129A, TRP70D, TYR102D, TYR109D, VAL93A
• B-C: ALA121C, ALA127C, ARG75B, ARG98C, ASP122C, ASP73B, CYS113C, GLU114C, GLU128C, GLU71B, GLY104B, GLY110C, GLY18B, HIS50C, ILE118C, ILE125C, ILE92C, LEU101B, LEU124C, LEU69B, LYS100B, LYS103B, LYS119C, LYS123C, LYS22B, LYS76B, PHE120C, PHE94C, PRO106B, PRO126C, SER105B, SER72B, SER95C, SER96C, SER97C, THR99B, THR99C, TRP129C, TRP70B, TYR102B, TYR109B, VAL93C
• B-D: GLN26B, GLY104D, LYS22B, LYS22D, LYS76B, LYS76D, PRO106D, SER105D, TYR102D
• C-D: ALA121C, ALA121D, ALA127C, ALA127D, ALA47C, ALA47D, ARG141C, ARG141D, ARG144C, ARG144D, ARG82C, ARG82D, ASN49C, ASN49D, ASN60C, ASN60D, ASP122C, ASP122D, ASP140D, ASP21C, ASP21D, ASP55C, ASP55D, ASP73C, ASP73D, ASP74C, ASP74D, GLN26C, GLN26D, GLN84C, GLN84D, GLU20C, GLU20D, GLU28C, GLU35C, GLU35D, GLU37C, GLU37D, GLU38C, GLU38D, GLU65C, GLU65D, GLU83C, GLU83D, GLY18C, GLY18D, GLY31C, GLY31D, GLY61D, GLY68C, GLY68D, HIS50C, HIS50D, HIS78C, HIS78D, HIS85C, HIS85D, ILE125C, ILE125D, ILE130C, ILE130D, ILE32C, ILE32D, ILE45C, ILE45D, ILE62C, ILE62D, ILE81C, ILE81D, ILE90C, ILE90D, ILE92C, ILE92D, LEU124C, LEU124D, LEU142C, LEU142D, LEU19C, LEU19D, LEU27C, LEU27D, LEU57C, LEU57D, LEU58C, LEU58D, LEU69D, LEU80C, LEU80D, LEU88C, LEU88D, LYS123C, LYS123D, LYS131D, LYS143C, LYS143D, LYS145C, LYS145D, LYS22C, LYS22D, LYS25C, LYS25D, LYS30C, LYS30D, LYS33C, LYS33D, LYS40C, LYS40D, LYS67C, LYS67D, LYS76C, LYS76D, LYS77C, LYS77D, PHE139C, PHE139D, PHE34C, PHE34D, PHE56C, PHE56D, PHE63C, PHE63D, PHE94C, PHE94D, PRO126C, PRO126D, PRO138D, PRO42C, PRO42D, PRO46C, PRO46D, PRO54C, PRO54D, PRO59C, PRO59D, SER17C, SER17D, SER24C, SER24D, SER29C, SER48C, SER48D, SER95C, SER95D, SER96C, SER96D, THR51C, THR51D, THR53C, THR53D, THR66C, THR66D, TRP129C, TRP129D, TRP39C, TRP39D, TYR36C, TYR36D, TYR43C, TYR43D, TYR52C, TYR52D, VAL137C, VAL137D, VAL23C, VAL23D, VAL41C, VAL41D, VAL44C, VAL44D, VAL64C, VAL64D, VAL93C, VAL93D