3BM1

crystal structure of a minimal nitroreductase ydja from escherichia coli k12 with and without fmn cofactor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 230
  • Norm. En. per Res.: -3.9071
• 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	-165.5324	51.5417	-784.632	-898.6227	230	42	37	31057	0	36	39

Interface residues

• A-B: ALA111A, ALA111B, ALA114A, ALA114B, ALA117A, ALA117B, ALA121A, ALA121B, ALA122A, ALA122B, ALA124A, ALA124B, ALA135A, ALA135B, ALA145A, ALA145B, ALA32A, ALA32B, ALA36A, ALA36B, ALA3A, ALA3B, ALA60A, ALA60B, ALA94A, ALA94B, ARG104A, ARG10A, ARG10B, ARG11A, ARG11B, ARG132A, ARG132B, ARG31A, ARG31B, ARG35A, ARG35B, ARG55A, ARG55B, ARG57A, ARG57B, ASN28A, ASN28B, ASN9A, ASN9B, ASP175A, ASP175B, ASP2A, ASP2B, ASP38A, ASP38B, CYS113A, CYS113B, GLN107A, GLN107B, GLN119A, GLN119B, GLN125A, GLN125B, GLN25A, GLN25B, GLN27A, GLN27B, GLN43A, GLN43B, GLU106A, GLU106B, GLU108A, GLU108B, GLU138A, GLU138B, GLU144A, GLU144B, GLU24A, GLU24B, GLU51A, GLU51B, GLU53A, GLU53B, GLU56A, GLU56B, GLU5A, GLU5B, GLY112A, GLY112B, GLY126A, GLY126B, GLY134A, GLY134B, GLY147A, GLY147B, GLY156A, GLY156B, GLY23A, GLY33A, GLY33B, GLY52A, GLY54A, GLY54B, HIS100B, HIS39A, HIS39B, HIS46A, HIS46B, ILE130A, ILE130B, ILE154A, ILE154B, ILE29A, ILE29B, ILE50A, ILE50B, ILE89A, ILE89B, ILE8A, ILE8B, ILE90A, ILE90B, LEU158A, LEU158B, LEU26A, LEU26B, LEU30A, LEU30B, LEU4A, LEU4B, LEU62A, LEU62B, LEU6A, LEU6B, LEU7A, LEU7B, LEU88A, LEU88B, LYS101A, LYS101B, LYS153A, LYS153B, LYS40A, LYS40B, LYS78A, LYS78B, LYS95A, LYS95B, MET109A, MET109B, MET116A, MET116B, MET118A, MET118B, MET120A, MET120B, MET1A, MET1B, MET34A, MET34B, MET42A, MET42B, PHE146A, PHE146B, PHE157A, PHE157B, PHE179A, PHE179B, PHE183A, PHE183B, PHE47A, PHE47B, PHE48A, PHE48B, PHE58A, PHE58B, PRO103A, PRO103B, PRO174A, PRO174B, PRO176A, PRO176B, PRO178A, PRO178B, PRO37A, PRO37B, PRO44A, PRO44B, PRO83A, SER110A, SER110B, SER12A, SER12B, SER133A, SER133B, SER59A, SER59B, THR137A, THR137B, THR177A, THR177B, THR181A, THR181B, THR91A, THR91B, TRP105A, TRP105B, TRP131A, TRP131B, TRP45A, TRP45B, TYR182A, TYR182B, VAL102A, VAL102B, VAL115A, VAL115B, VAL123A, VAL123B, VAL141A, VAL142A, VAL142B, VAL155A, VAL155B, VAL173A, VAL173B, VAL180A, VAL180B, VAL49A, VAL49B, VAL61A, VAL61B, VAL92B, VAL93B