3N3B

ribonucleotide reductase dimanganese(ii)-nrdf from escherichia coli in complex with reduced nrdi with a trapped peroxide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 109
  • Norm. En. per Res.: -3.1225
• Hub Node: B(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
B-C	-45.2879	-35.0586	-275.649	-355.9956	116	14	1	10618	2	18	27
B-A	-26.7748	-18.6821	-436.037	-481.4938	168	7	19	19275	2	24	24
A-D	-45.0123	-37.1091	-258.229	-340.3505	109	18	1	10218	2	17	27

Interface residues

• B-C: ALA193B, ALA261B, ALA273B, ALA276B, ALA284B, ALA285B, ALA55C, ALA57C, ALA89C, ARG108C, ARG16C, ARG186B, ARG190B, ARG20C, ARG25B, ARG60C, ARG84C, ARG92C, ASN13C, ASN24B, ASN257B, ASN259B, ASN264B, ASN29B, ASN83C, ASN85C, ASP117C, ASP16B, ASP17B, ASP191B, GLN115C, GLN204B, GLN61C, GLU110C, GLU119C, GLU12C, GLU158B, GLU192B, GLU19C, GLU208B, GLU21B, GLU268B, GLU274B, GLU277B, GLU32C, GLU88C, GLY113C, GLY196B, GLY200B, GLY266B, GLY50C, GLY51C, GLY52C, GLY53C, GLY82C, GLY87C, GLY91C, HIS195B, ILE118C, ILE188B, ILE189B, ILE282B, LEU111C, LEU187B, LEU20B, LEU262B, LEU265B, LEU26B, LEU270B, LEU283B, LEU286B, LEU30C, LYS18B, LYS205B, LYS260B, MET112C, MET263B, PHE109C, PHE166B, PHE17C, PHE253B, PHE271B, PHE7C, PHE86C, PRO269B, PRO272B, PRO280B, PRO288B, PRO47C, PRO59C, SER10C, SER116C, SER11C, SER159B, SER287B, SER28B, SER48C, SER8C, SER9C, THR114C, THR14C, THR27B, THR54C, TRP105C, TRP23B, TYR163B, TYR197B, TYR198B, TYR201B, TYR256B, TYR267B, TYR49C, TYR90C, VAL194B, VAL22B, VAL278B
• B-A: ALA102A, ALA102B, ALA135A, ALA135B, ALA75A, ALA89A, ALA89B, ALA8A, ALA8B, ALA99A, ALA99B, ARG103A, ARG103B, ARG143A, ARG143B, ARG5A, ARG5B, ASN10A, ASN10B, ASN12A, ASN12B, ASN24A, ASN24B, ASN29A, ASN29B, ASN71A, ASN71B, ASN93A, ASN93B, ASP119A, ASP119B, ASP67A, ASP67B, CYS113A, CYS113B, GLN132A, GLN132B, GLN136A, GLN136B, GLN139A, GLN139B, GLN140A, GLN70A, GLN70B, GLU126A, GLU126B, GLU34A, GLU34B, GLU87B, GLU88A, GLU88B, GLU98A, GLU98B, GLY62A, GLY62B, GLY74A, GLY74B, HIS101A, HIS101B, HIS86A, HIS86B, ILE108A, ILE108B, ILE14A, ILE14B, ILE6A, ILE6B, ILE73A, ILE73B, ILE94A, ILE94B, ILE9A, ILE9B, LEU112A, LEU112B, LEU131A, LEU131B, LEU20A, LEU20B, LEU26A, LEU26B, LEU32A, LEU32B, LEU63A, LEU63B, LEU65A, LEU65B, LEU66A, LEU66B, LEU69A, LEU69B, LEU91A, LEU91B, LYS116B, LYS13A, LYS13B, LYS35A, LYS35B, MET79A, MET79B, MET97A, MET97B, PHE109A, PHE109B, PHE30A, PHE30B, PHE60A, PHE60B, PHE96A, PHE96B, PRO33A, PRO33B, PRO76A, PRO76B, PRO80A, PRO80B, PRO85A, PRO85B, SER104A, SER104B, SER106A, SER106B, SER107A, SER107B, SER110A, SER110B, SER125A, SER125B, SER28A, SER28B, SER7A, SER7B, SER92A, SER92B, SER95A, SER95B, THR111A, THR111B, THR115A, THR115B, THR27A, THR27B, THR61A, THR61B, THR64A, THR64B, THR68A, THR68B, TRP11A, TRP11B, TRP23A, TRP23B, TRP31A, TRP31B, TYR105A, TYR105B, TYR122A, TYR122B, TYR142A, TYR142B, VAL100A, VAL100B, VAL118A, VAL118B, VAL72A, VAL72B, VAL90A, VAL90B
• A-D: ALA193A, ALA261A, ALA273A, ALA276A, ALA281A, ALA284A, ALA285A, ALA55D, ALA57D, ALA89D, ARG108D, ARG16D, ARG186A, ARG190A, ARG20D, ARG25A, ARG84D, ARG92D, ASN13D, ASN24A, ASN257A, ASN259A, ASN264A, ASN29A, ASN83D, ASN85D, ASP117D, ASP16A, ASP17A, ASP191A, ASP19A, GLN115D, GLN204A, GLU110D, GLU119D, GLU12D, GLU158A, GLU192A, GLU208A, GLU21A, GLU268A, GLU274A, GLU32D, GLU88D, GLY113D, GLY196A, GLY200A, GLY266A, GLY50D, GLY51D, GLY52D, GLY53D, GLY82D, GLY87D, GLY91D, HIS195A, ILE118D, ILE188A, ILE189A, ILE282A, LEU111D, LEU187A, LEU262A, LEU265A, LEU26A, LEU270A, LEU283A, LEU286A, LEU30D, LYS18A, LYS205A, LYS260A, MET112D, MET263A, PHE109D, PHE166A, PHE17D, PHE253A, PHE271A, PHE7D, PHE86D, PRO269A, PRO272A, PRO280A, PRO288A, PRO47D, SER10D, SER116D, SER11D, SER159A, SER287A, SER28A, SER48D, SER8D, SER9D, THR114D, THR14D, TRP105D, TYR163A, TYR197A, TYR198A, TYR201A, TYR256A, TYR267A, TYR49D, TYR90D, VAL194A, VAL22A, VAL278A