3OWA

crystal structure of acyl-coa dehydrogenase complexed with fad from bacillus anthracis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 256
  • Norm. En. per Res.: -4.0832
• Hub Node: A(3)

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	-163.3423	-122.7089	-517.851	-803.9022	269	40	8	25544	18	118	112
A-C	-44.0656	20.1946	-121.084	-144.955	85	5	0	5407	3	60	76
A-D	0.0	0.0	-0.004	-0.004	4	0	0	4	0	0	3
B-C	0.0	0.0	-0.0645	-0.0645	4	0	0	21	0	1	4
C-D	-211.0385	-136.4297	-697.841	-1045.3092	256	19	8	25229	18	114	116

Interface residues

• A-B: ALA159A, ALA159B, ALA387A, ALA387B, ALA494A, ALA494B, ALA542A, ALA542B, ALA550A, ALA550B, ARG291A, ARG291B, ARG300A, ARG300B, ARG393A, ARG396A, ARG396B, ARG399A, ARG399B, ARG402A, ARG402B, ARG412A, ARG412B, ARG558A, ARG558B, ARG565A, ARG565B, ARG569A, ARG569B, ARG580A, ARG580B, ASN310A, ASN310B, ASN401A, ASN401B, ASN408A, ASN408B, ASN411B, ASN492A, ASN492B, ASN538A, ASN538B, ASN553A, ASN553B, ASN574A, ASN574B, ASP158A, ASP158B, ASP370A, ASP370B, ASP374A, ASP374B, ASP397A, ASP397B, ASP484A, ASP484B, GLN182A, GLN182B, GLN292A, GLN292B, GLN293A, GLN293B, GLN296A, GLN296B, GLN305A, GLN305B, GLN378A, GLN378B, GLN487A, GLN487B, GLN534A, GLN534B, GLN58A, GLN58B, GLU152A, GLU152B, GLU221A, GLU222A, GLU222B, GLU250A, GLU306A, GLU306B, GLU367A, GLU367B, GLU375A, GLU375B, GLU388A, GLU388B, GLU392A, GLU392B, GLU409A, GLU409B, GLU486A, GLU486B, GLU488A, GLU488B, GLU535A, GLU535B, GLU541A, GLU541B, GLU546A, GLU546B, GLU54A, GLU552A, GLU552B, GLY154A, GLY154B, GLY156A, GLY156B, GLY161A, GLY161B, GLY226A, GLY226B, GLY376A, GLY376B, GLY381A, GLY381B, GLY382A, GLY382B, GLY384A, GLY384B, GLY406A, GLY406B, GLY554A, GLY554B, HIS203A, HIS380A, HIS380B, HIS543A, HIS543B, HIS570A, HIS570B, ILE110A, ILE110B, ILE199A, ILE227A, ILE227B, ILE251A, ILE298A, ILE298B, ILE304A, ILE304B, ILE379A, ILE379B, ILE391A, ILE391B, ILE400A, ILE400B, ILE403A, ILE403B, ILE410A, ILE410B, ILE489A, ILE489B, ILE549A, ILE549B, ILE576A, ILE576B, LEU160A, LEU160B, LEU168A, LEU247A, LEU303A, LEU303B, LEU413A, LEU413B, LEU490A, LEU490B, LEU548A, LEU548B, LEU557A, LEU557B, LEU561A, LEU561B, LEU573A, LEU573B, LYS163A, LYS163B, LYS198A, LYS198B, LYS223A, LYS223B, LYS224A, LYS224B, LYS228A, LYS228B, LYS244A, LYS295A, LYS295B, LYS307A, LYS307B, LYS362A, LYS362B, LYS478A, LYS478B, LYS485A, LYS485B, LYS545A, LYS545B, LYS579A, LYS579B, PHE207A, PHE259B, PHE294A, PHE294B, PHE301A, PHE301B, PHE385A, PHE385B, PHE404A, PHE404B, PHE4B, PHE537A, PRO153A, PRO153B, PRO302A, PRO302B, PRO572A, PRO572B, PRO577A, PRO577B, SER155A, SER155B, SER157A, SER157B, SER205A, SER230A, SER230B, SER366B, SER398A, SER398B, THR151A, THR151B, THR232A, THR232B, THR407A, THR407B, THR547A, THR547B, THR568A, THR571A, THR571B, TRP183A, TRP183B, TYR175A, TYR287A, TYR287B, TYR371A, TYR371B, TYR383A, TYR383B, TYR389A, TYR389B, TYR395A, TYR395B, TYR479A, TYR479B, VAL363A, VAL363B, VAL373A, VAL373B, VAL377A, VAL377B, VAL491A, VAL491B, VAL551A, VAL551B, VAL575A, VAL575B
• A-C: ALA188A, ALA188C, ALA190A, ALA190C, ALA214A, ALA214C, ALA240A, ALA240C, ARG233A, ARG233C, ARG66A, ARG66C, ASN169A, ASN169C, ASP191A, ASP191C, ASP212A, ASP212C, ASP239A, ASP239C, ASP62A, ASP62C, GLU143A, GLU143C, GLU171A, GLU171C, GLU210A, GLU210C, GLU221A, GLU221C, GLU238A, GLU238C, GLU60A, GLU60C, GLY215A, GLY215C, HIS174A, HIS174C, ILE236A, ILE236C, LEU138A, LEU138C, LEU145C, LEU237A, LEU237C, LEU241A, LEU241C, LYS134A, LYS134C, LYS144A, LYS144C, LYS211A, LYS211C, LYS223A, LYS223C, LYS69A, LYS69C, PHE189A, PHE189C, PHE193A, PHE193C, PHE61A, PHE61C, PRO220A, PRO220C, SER187A, SER187C, SER217A, SER217C, SER219A, SER219C, THR218A, THR218C, THR234A, THR234C, TYR135A, TYR135C, TYR213A, TYR213C, VAL176A, VAL176C, VAL216A, VAL216C, VAL65A, VAL65C
• A-D: ALA170A, GLN58D, GLU171A, TYR55D
• B-C: ALA170C, GLN58B, GLU171C, TYR55B
• C-D: ALA159C, ALA159D, ALA387C, ALA387D, ALA494C, ALA494D, ALA542C, ALA542D, ALA550C, ALA550D, ARG291C, ARG291D, ARG300C, ARG300D, ARG396C, ARG396D, ARG399C, ARG399D, ARG402C, ARG402D, ARG412C, ARG412D, ARG558C, ARG558D, ARG565C, ARG565D, ARG569C, ARG569D, ARG580C, ARG580D, ASN310C, ASN310D, ASN401C, ASN401D, ASN408C, ASN408D, ASN411C, ASN492C, ASN492D, ASN538C, ASN538D, ASN553C, ASN553D, ASN574C, ASN574D, ASP158C, ASP158D, ASP370C, ASP370D, ASP374C, ASP374D, ASP397C, ASP397D, ASP484C, ASP484D, GLN182C, GLN182D, GLN292C, GLN292D, GLN293C, GLN293D, GLN296C, GLN296D, GLN305C, GLN305D, GLN378C, GLN378D, GLN487C, GLN487D, GLN534C, GLN534D, GLN58C, GLN58D, GLU152C, GLU152D, GLU222C, GLU222D, GLU306C, GLU306D, GLU367C, GLU367D, GLU375C, GLU375D, GLU388C, GLU388D, GLU392C, GLU392D, GLU409C, GLU409D, GLU486C, GLU486D, GLU488C, GLU488D, GLU535C, GLU535D, GLU541C, GLU541D, GLU546C, GLU546D, GLU552C, GLU552D, GLY154C, GLY154D, GLY156C, GLY156D, GLY161C, GLY161D, GLY226C, GLY226D, GLY376C, GLY376D, GLY381C, GLY381D, GLY382C, GLY382D, GLY384C, GLY384D, GLY406C, GLY406D, GLY554C, GLY554D, HIS380C, HIS380D, HIS543D, HIS570C, HIS570D, ILE110C, ILE110D, ILE227C, ILE227D, ILE298C, ILE298D, ILE304C, ILE304D, ILE379C, ILE379D, ILE391C, ILE391D, ILE400C, ILE400D, ILE403C, ILE403D, ILE410C, ILE410D, ILE489C, ILE489D, ILE549C, ILE549D, ILE576C, ILE576D, LEU160C, LEU160D, LEU303C, LEU303D, LEU413C, LEU413D, LEU490C, LEU490D, LEU548C, LEU548D, LEU557C, LEU557D, LEU561C, LEU561D, LEU573C, LEU573D, LYS163C, LYS163D, LYS198C, LYS198D, LYS223C, LYS223D, LYS224C, LYS224D, LYS228C, LYS228D, LYS295C, LYS295D, LYS307C, LYS307D, LYS362C, LYS362D, LYS478C, LYS478D, LYS485C, LYS485D, LYS545C, LYS545D, LYS579C, LYS579D, PHE259C, PHE259D, PHE294C, PHE294D, PHE301C, PHE301D, PHE385C, PHE385D, PHE404C, PHE404D, PRO153C, PRO153D, PRO302C, PRO302D, PRO572C, PRO572D, PRO577C, PRO577D, SER155C, SER155D, SER157C, SER157D, SER230C, SER230D, SER366C, SER366D, SER398C, SER398D, SER562D, THR151C, THR151D, THR232C, THR232D, THR407C, THR407D, THR547C, THR547D, THR568D, THR571C, THR571D, TRP183C, TRP183D, TYR287C, TYR287D, TYR371C, TYR371D, TYR383C, TYR383D, TYR389C, TYR389D, TYR395C, TYR395D, TYR479C, TYR479D, VAL363C, VAL363D, VAL373C, VAL373D, VAL377C, VAL377D, VAL491C, VAL491D, VAL551C, VAL551D, VAL575C, VAL575D