1Z69

crystal structure of methylenetetrahydromethanopterin reductase (mer) in complex with coenzyme f420

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 140
  • Norm. En. per Res.: -4.5814
• 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	-122.1374	-60.4772	-461.249	-643.8635	141	27	20	18261	4	20	22
A-C	0.0	-27.2399	-87.512	-114.7519	42	0	5	3600	4	14	14
A-D	-21.7698	-7.0251	-83.974	-112.7689	47	6	1	3627	0	5	11
B-C	-23.5187	-7.1382	-87.3071	-117.964	47	5	1	3717	0	5	11
B-D	-17.6516	-32.72	-98.2145	-148.5862	42	0	5	3853	4	16	15
C-D	-118.3878	-55.781	-467.227	-641.3958	140	26	20	18232	4	20	22

Interface residues

• A-B: ALA102A, ALA102B, ALA106A, ALA106B, ALA13A, ALA13B, ALA140A, ALA140B, ALA142A, ALA142B, ALA145A, ALA145B, ALA148B, ALA50A, ALA50B, ALA71A, ALA71B, ALA74A, ALA74B, ALA78A, ALA78B, ALA98A, ALA98B, ARG40A, ARG40B, ARG68A, ARG68B, ASN38A, ASN38B, ASN39A, ASN39B, ASN52A, ASN52B, ASN64A, ASN64B, ASN69A, ASN69B, ASP101A, ASP101B, ASP11A, ASP11B, ASP133A, ASP133B, ASP35A, ASP35B, ASP41A, ASP41B, GLU82A, GLU82B, GLY104A, GLY104B, GLY141A, GLY141B, HIS36A, HIS36B, ILE105A, ILE105B, ILE137A, ILE137B, ILE72A, ILE72B, ILE77A, ILE77B, ILE80A, ILE80B, ILE83A, ILE83B, LEU144A, LEU144B, LEU14A, LEU14B, LEU46A, LEU46B, LEU49A, LEU49B, LEU51A, LEU51B, LYS128B, LYS129A, LYS129B, LYS138A, LYS138B, LYS143A, LYS143B, LYS147A, LYS147B, LYS15A, MET103A, MET103B, MET132A, MET132B, PHE100A, PHE100B, PHE124A, PHE124B, PHE139A, PHE139B, PHE146A, PHE146B, PRO12A, PRO12B, PRO70A, PRO70B, PRO9A, PRO9B, SER10A, SER10B, SER131A, SER131B, SER44A, SER44B, SER75A, SER75B, SER76A, SER76B, SER79A, SER79B, THR45A, THR45B, THR47A, THR47B, THR63A, THR63B, THR67A, THR67B, THR73A, THR73B, THR99A, THR99B, TYR37A, TYR37B, TYR43A, TYR43B, TYR66A, TYR66B, VAL130A, VAL130B, VAL42A, VAL42B, VAL48A, VAL48B
• A-C: ALA13A, ALA13C, ALA17A, ALA17C, ALA20A, ALA20C, ARG40A, ARG40C, ASN52A, ASN52C, ASP11A, ASP11C, GLN25A, GLN25C, GLU314A, GLU314C, ILE16A, ILE16C, LEU14A, LEU14C, LEU22A, LEU22C, LEU49A, LEU49C, LEU51A, LEU51C, LYS15A, LYS15C, LYS21A, LYS21C, LYS318A, LYS318C, PRO12A, PRO12C, THR53A, THR53C, TYR18A, TYR18C, TYR19A, TYR19C, VAL48A, VAL48C
• A-D: ALA17D, ALA50A, ALA50D, ALA81A, ALA81D, ARG87A, ARG87D, ASN52A, ASN52D, ASN54A, ASN54D, GLN25A, GLN25D, GLU24A, GLU24D, GLU82A, GLU82D, GLY85A, GLY85D, GLY86A, GLY86D, ILE56A, ILE56D, ILE58A, ILE58D, ILE80A, ILE80D, ILE83A, ILE83D, LEU49A, LEU49D, LEU51A, LEU51D, LYS21A, LYS21D, SER55A, SER55D, SER79A, SER79D, SER84A, SER84D, THR53A, THR53D, TYR18A, TYR18D, VAL48A, VAL48D
• B-C: ALA50B, ALA50C, ALA81B, ALA81C, ARG87B, ARG87C, ASN52B, ASN52C, ASN54B, ASN54C, GLN25B, GLN25C, GLU24B, GLU24C, GLU82B, GLU82C, GLY85B, GLY85C, GLY86B, GLY86C, ILE56B, ILE56C, ILE58B, ILE58C, ILE80B, ILE80C, ILE83B, ILE83C, LEU49B, LEU49C, LEU51B, LEU51C, LYS147B, LYS147C, LYS21B, LYS21C, SER55B, SER55C, SER79C, SER84B, SER84C, THR53B, THR53C, TYR18B, TYR18C, VAL48B, VAL48C
• B-D: ALA13B, ALA13D, ALA17B, ALA17D, ALA20B, ALA20D, ARG40B, ARG40D, ASN52B, ASN52D, ASP11B, ASP11D, GLN25B, GLN25D, GLU314B, GLU314D, ILE16B, ILE16D, LEU14B, LEU14D, LEU22B, LEU22D, LEU49B, LEU49D, LEU51B, LEU51D, LYS15B, LYS15D, LYS21B, LYS21D, LYS318B, LYS318D, PRO12B, PRO12D, THR53B, THR53D, TYR18B, TYR18D, TYR19B, TYR19D, VAL48B, VAL48D
• C-D: ALA102C, ALA102D, ALA106C, ALA106D, ALA13C, ALA13D, ALA140C, ALA140D, ALA142C, ALA142D, ALA145C, ALA145D, ALA50C, ALA50D, ALA71C, ALA71D, ALA74C, ALA74D, ALA78C, ALA78D, ALA98C, ALA98D, ARG40C, ARG40D, ARG68C, ARG68D, ASN38C, ASN38D, ASN39C, ASN39D, ASN52C, ASN52D, ASN64C, ASN64D, ASN69C, ASN69D, ASP101C, ASP101D, ASP11C, ASP11D, ASP133C, ASP35C, ASP35D, ASP41C, ASP41D, GLU82C, GLU82D, GLY104C, GLY104D, GLY141C, GLY141D, HIS36C, HIS36D, ILE105C, ILE105D, ILE137C, ILE137D, ILE72C, ILE72D, ILE77C, ILE77D, ILE80C, ILE80D, ILE83C, ILE83D, LEU144C, LEU144D, LEU14C, LEU14D, LEU46C, LEU46D, LEU49C, LEU49D, LEU51C, LEU51D, LYS128C, LYS129C, LYS129D, LYS138C, LYS138D, LYS143C, LYS143D, LYS147C, LYS147D, LYS15D, MET103C, MET103D, MET132C, MET132D, PHE100C, PHE100D, PHE124C, PHE124D, PHE139C, PHE139D, PHE146C, PHE146D, PRO12C, PRO12D, PRO70C, PRO70D, PRO9C, PRO9D, SER10C, SER10D, SER131C, SER131D, SER44C, SER44D, SER75C, SER75D, SER76C, SER76D, SER79C, SER79D, THR45C, THR45D, THR47C, THR47D, THR63C, THR63D, THR67C, THR67D, THR73C, THR73D, THR99C, THR99D, TYR37C, TYR37D, TYR43C, TYR43D, TYR66C, TYR66D, VAL130C, VAL130D, VAL42C, VAL42D, VAL48C, VAL48D, VAL8D