3GFA

crystal structure of a putative nitroreductase in complex with fmn (cd3205) from clostridium difficile 630 at 1.35 a resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 285
  • Norm. En. per Res.: -4.6774
• Hub Node: A(1)

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	-263.5313	-50.4151	-1019.1	-1333.0464	285	30	21	38471	4	68	73

Interface residues

• A-B: ALA123A, ALA123B, ALA130A, ALA130B, ALA131A, ALA131B, ALA139A, ALA139B, ALA155A, ALA155B, ALA171A, ALA171B, ALA172A, ALA172B, ALA31A, ALA31B, ALA35A, ALA35B, ALA83A, ALA83B, ALA85A, ALA85B, ARG10A, ARG10B, ARG118A, ARG118B, ARG13A, ARG13B, ARG157A, ARG157B, ARG184A, ARG184B, ARG185A, ARG185B, ARG187A, ARG187B, ARG197A, ARG197B, ARG41A, ARG41B, ARG45A, ARG45B, ARG79A, ARG79B, ARG9A, ARG9B, ASN103A, ASN103B, ASN124A, ASN124B, ASN134A, ASN134B, ASN164A, ASN164B, ASN34A, ASN34B, ASN40A, ASN40B, ASP151A, ASP151B, ASP192A, ASP192B, ASP4A, ASP4B, CYS150A, CYS150B, CYS160A, GLN126A, GLN126B, GLN133A, GLN133B, GLN168A, GLN168B, GLN189A, GLN189B, GLN42A, GLN42B, GLN80A, GLN80B, GLU111A, GLU111B, GLU116A, GLU116B, GLU117A, GLU117B, GLU121A, GLU121B, GLU141A, GLU141B, GLU161A, GLU161B, GLU195A, GLU195B, GLU23A, GLU23B, GLU26A, GLU26B, GLU30A, GLU30B, GLU51A, GLU51B, GLU53A, GLU53B, GLU68A, GLU68B, GLY106A, GLY106B, GLY129A, GLY129B, GLY32A, GLY32B, GLY73A, GLY73B, GLY77A, GLY77B, GLY84A, GLY84B, HIS22A, HIS22B, HIS81A, HIS81B, ILE101A, ILE101B, ILE104A, ILE104B, ILE128A, ILE128B, ILE132A, ILE132B, ILE149A, ILE149B, ILE173A, ILE173B, ILE20A, ILE20B, ILE25A, ILE25B, ILE28A, ILE28B, ILE29A, ILE29B, ILE2A, ILE2B, ILE33A, ILE33B, ILE49A, ILE49B, ILE6A, ILE6B, ILE82A, ILE82B, ILE99A, ILE99B, LEU102A, LEU102B, LEU110A, LEU110B, LEU113A, LEU113B, LEU137A, LEU137B, LEU142A, LEU142B, LEU147A, LEU147B, LEU159A, LEU163A, LEU163B, LEU169A, LEU169B, LEU188A, LEU188B, LEU190A, LEU190B, LEU74A, LEU74B, LEU75A, LEU75B, LYS107A, LYS107B, LYS112A, LYS112B, LYS27A, LYS27B, LYS39A, LYS39B, LYS52A, LYS52B, LYS54A, LYS54B, LYS8A, LYS8B, PHE100A, PHE100B, PHE119A, PHE119B, PHE154A, PHE154B, PHE46A, PHE46B, PRO109A, PRO109B, PRO115A, PRO115B, PRO186A, PRO186B, PRO36A, PRO36B, PRO43A, PRO43B, PRO76A, PRO76B, SER108A, SER108B, SER114A, SER114B, SER11A, SER11B, SER127A, SER127B, SER136A, SER136B, SER146A, SER146B, SER191A, SER191B, SER21A, SER21B, SER37A, SER37B, SER38A, SER38B, SER3A, SER3B, SER56A, SER56B, SER5A, SER5B, SER78A, SER78B, SER7A, SER7B, THR138A, THR138B, THR165A, THR165B, THR194A, THR194B, THR24A, THR24B, THR50A, THR50B, THR88A, THR88B, THR98A, THR98B, TRP148A, TRP148B, TRP162A, TRP162B, TRP196A, TRP196B, TRP44A, TRP44B, TYR120A, TYR120B, TYR153A, TYR153B, TYR156A, TYR156B, TYR87A, VAL140A, VAL140B, VAL152A, VAL152B, VAL170A, VAL170B, VAL193A, VAL193B, VAL47A, VAL47B, VAL48A, VAL48B, VAL97A, VAL97B