2HPV

crystal structure of fmn-dependent azoreductase from enterococcus faecalis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 131
  • Norm. En. per Res.: -3.1577
• Hub Node: A(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
A-B	-40.2539	-40.5521	-332.859	-413.665	131	16	7	13301	3	40	24
A-C	0.0	16.2566	-5.2204	11.0362	13	0	0	218	0	9	11
B-C	-15.1448	24.4624	-100.093	-90.7754	63	3	0	4171	0	32	38
B-D	0.0	0.0	-0.1181	-0.1181	7	0	0	40	0	5	4
C-D	-55.7212	-35.7852	-311.222	-402.7283	131	18	7	13391	2	40	25

Interface residues

• A-B: ALA115A, ALA115B, ALA123B, ALA159A, ALA159B, ALA165A, ALA165B, ALA46A, ALA46B, ALA61A, ALA61B, ARG112A, ARG112B, ARG66A, ARG66B, ASN102A, ASN106A, ASN106B, ASN108A, ASN108B, ASN121A, ASN121B, ASP118A, ASP118B, ASP157A, ASP157B, ASP184A, ASP184B, ASP55A, ASP55B, GLN161A, GLN161B, GLU16A, GLU16B, GLU53A, GLU53B, GLU56A, GLU56B, GLU57A, GLU57B, GLY133A, GLY133B, GLY150A, GLY150B, GLY151A, GLY63A, GLY63B, HIS10A, HIS10B, HIS185A, HIS185B, ILE120A, ILE120B, ILE163A, ILE163B, ILE166A, ILE166B, ILE170B, ILE54A, ILE54B, LEU107A, LEU107B, LEU113A, LEU113B, LEU12A, LEU12B, LEU167A, LEU58A, LEU58B, LEU59A, LEU59B, LYS114A, LYS114B, LYS164A, LYS81A, LYS81B, LYS8A, LYS8B, PHE127A, PHE127B, PHE158A, PHE158B, PHE169A, PHE169B, PHE85A, PHE85B, PRO103A, PRO103B, PRO110A, PRO110B, PRO11A, PRO11B, PRO134A, PRO134B, PRO47A, PRO47B, PRO52A, PRO52B, SER160A, SER160B, SER17A, SER17B, SER60A, SER60B, THR111A, THR111B, THR119A, THR119B, THR13A, THR13B, TRP105A, TRP105B, TRP116A, TRP116B, TRP62A, TRP62B, TYR129A, TYR129B, TYR153A, TYR162A, TYR162B, TYR45A, TYR45B, VAL109A, VAL109B, VAL117A, VAL117B, VAL122A, VAL122B, VAL44A, VAL44B
• A-C: ALA28C, ASN77A, GLU24C, GLU32C, GLU56A, GLU57A, GLU76A, LYS14C, LYS206C, LYS81A, SER29C, SER75A, THR202C
• B-C: ALA28C, ALA46B, ALA46C, ARG112B, ARG21B, ARG31B, ARG31C, ARG84B, ASN34C, ASN50B, ASN50C, ASN77B, ASP37B, ASP37C, GLN80B, GLU15B, GLU15C, GLU16B, GLU16C, GLU24B, GLU24C, GLU32C, GLU38B, GLU38C, GLU40B, GLU40C, GLU48B, GLU48C, GLU57B, GLU76B, GLU87B, ILE39B, ILE39C, ILE41B, ILE41C, LEU12B, LEU23C, LEU27C, LEU4B, LEU4C, LYS14B, LYS14C, LYS3B, LYS3C, LYS81B, LYS8B, PHE26C, PRO11B, PRO35B, PRO35C, PRO47B, PRO47C, SER29C, SER2C, SER36C, THR13B, THR13C, THR25C, THR49B, THR49C, TYR30C, TYR45B, VAL6C
• B-D: ASN77D, GLU32B, GLU56D, GLU76D, LYS14B, PRO35B, SER75D
• C-D: ALA115C, ALA115D, ALA123C, ALA123D, ALA159C, ALA159D, ALA165C, ALA165D, ALA46C, ALA46D, ALA61C, ALA61D, ARG112C, ARG112D, ARG66C, ASN106C, ASN106D, ASN108C, ASN108D, ASN121C, ASN121D, ASP118C, ASP118D, ASP157C, ASP157D, ASP184C, ASP184D, ASP55C, ASP55D, GLN161C, GLN161D, GLU16C, GLU16D, GLU53C, GLU53D, GLU56C, GLU56D, GLU57C, GLU57D, GLY133C, GLY133D, GLY150C, GLY150D, GLY151D, GLY63C, GLY63D, HIS10C, HIS10D, HIS185C, HIS185D, ILE120C, ILE120D, ILE163C, ILE163D, ILE166C, ILE166D, ILE170C, ILE54C, ILE54D, LEU107C, LEU107D, LEU113C, LEU113D, LEU12C, LEU12D, LEU167D, LEU58C, LEU58D, LEU59C, LEU59D, LYS114C, LYS114D, LYS164D, LYS81C, LYS81D, LYS8C, LYS8D, PHE127C, PHE127D, PHE158C, PHE158D, PHE169C, PHE169D, PHE85C, PHE85D, PRO103C, PRO103D, PRO110C, PRO110D, PRO11C, PRO11D, PRO134C, PRO134D, PRO47C, PRO47D, PRO52C, PRO52D, SER160C, SER160D, SER17C, SER17D, SER60C, SER60D, THR111C, THR111D, THR119C, THR119D, THR13C, THR13D, TRP105C, TRP105D, TRP116C, TRP116D, TRP62C, TRP62D, TYR129C, TYR129D, TYR153C, TYR153D, TYR162C, TYR162D, TYR45C, TYR45D, VAL109C, VAL109D, VAL117C, VAL117D, VAL122C, VAL122D, VAL44C, VAL44D