3E39

crystal structure of a putative nitroreductase in complex with fmn (dde_0787) from desulfovibrio desulfuricans subsp. at 1.70 a resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 237
  • Norm. En. per Res.: -4.4756
• 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	-137.0429	-32.1308	-891.547	-1060.7208	237	29	40	35137	4	53	49

Interface residues

• A-B: ALA100A, ALA100B, ALA102A, ALA102B, ALA103A, ALA103B, ALA10A, ALA10B, ALA110A, ALA110B, ALA111A, ALA111B, ALA113A, ALA113B, ALA136A, ALA136B, ALA146A, ALA146B, ALA165A, ALA165B, ALA29A, ALA29B, ALA36A, ALA36B, ALA40A, ALA40B, ALA89A, ALA89B, ALA99A, ALA99B, ARG12A, ARG12B, ARG141A, ARG141B, ARG14A, ARG14B, ARG15A, ARG15B, ARG161A, ARG161B, ARG162A, ARG162B, ARG18A, ARG18B, ARG31A, ARG31B, ARG50A, ARG50B, ARG55A, ARG55B, ARG60A, ARG60B, ASN106A, ASN106B, ASN126A, ASN126B, ASN45A, ASN45B, ASN46A, ASN46B, ASN5A, ASN5B, ASN92A, ASN92B, ASP138A, ASP138B, ASP27A, ASP27B, ASP58A, ASP58B, ASP86A, ASP86B, ASP96A, ASP96B, CYS49A, CYS49B, GLN105A, GLN105B, GLN115A, GLN115B, GLN127A, GLN127B, GLN13A, GLN13B, GLN175A, GLN47A, GLN47B, GLN98A, GLN98B, GLN9A, GLN9B, GLU123A, GLU123B, GLU145A, GLU145B, GLU166A, GLU166B, GLU170A, GLU170B, GLU171A, GLU171B, GLU177A, GLU28A, GLU28B, GLU35A, GLU35B, GLU88B, GLU93A, GLU93B, GLY101A, GLY101B, GLY122A, GLY122B, GLY37A, GLY37B, GLY43A, GLY43B, HIS112A, HIS112B, HIS97A, HIS97B, ILE11A, ILE11B, ILE124A, ILE124B, ILE125A, ILE125B, ILE33A, ILE33B, ILE38A, ILE38B, ILE54A, ILE54B, ILE81A, ILE81B, LEU108A, LEU108B, LEU109A, LEU109B, LEU114A, LEU114B, LEU121A, LEU121B, LEU132A, LEU132B, LEU135A, LEU135B, LEU137A, LEU137B, LEU142A, LEU142B, LEU164A, LEU164B, LEU167A, LEU167B, LEU168A, LEU168B, LEU169A, LEU169B, LEU32A, LEU32B, LEU34A, LEU34B, LEU44A, LEU44B, LEU52A, LEU52B, LEU82A, LEU82B, LEU85A, LEU85B, LEU8A, LEU8B, LYS95A, LYS95B, PHE144A, PHE144B, PHE173A, PHE173B, PHE51A, PHE51B, PHE84A, PHE84B, PRO163A, PRO163B, PRO172A, PRO172B, PRO174A, PRO174B, PRO41A, PRO41B, PRO48A, PRO48B, PRO6A, PRO6B, SER143A, SER143B, SER158A, SER158B, SER159A, SER159B, SER160A, SER160B, SER16A, SER16B, SER26A, SER26B, SER42A, SER42B, THR3A, THR3B, TRP120A, TRP120B, TRP39A, TRP39B, TYR70A, TYR70B, TYR91A, TYR91B, VAL104A, VAL104B, VAL119A, VAL119B, VAL25A, VAL25B, VAL30A, VAL30B, VAL53A, VAL53B, VAL79A, VAL79B, VAL7A, VAL7B, VAL83A, VAL83B, VAL94A, VAL94B