3NYW

crystal structure of a betaketoacyl-[acp] reductase (fabg) from bacteroides thetaiotaomicron

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -3.6673
• 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	-29.927	-48.9753	-346.507	-425.4093	116	15	14	12800	4	30	29
A-C	-75.6986	-6.2967	-304.108	-386.1033	113	23	15	13107	0	24	35
B-D	-77.5526	-6.4099	-295.146	-379.1086	113	23	14	13056	0	23	35
C-D	-22.2303	-55.3109	-319.894	-397.4352	111	22	14	12545	3	28	29

Interface residues

• A-B: ALA118A, ALA118B, ALA151A, ALA151B, ALA162A, ALA162B, ALA167A, ALA167B, ALA72A, ALA72B, ARG109A, ARG109B, ARG172A, ARG172B, ASN107A, ASN107B, ASN115A, ASN115B, ASP106A, ASP106B, ASP152A, ASP152B, ASP68A, ASP68B, ASP73A, ASP73B, CYS69A, CYS69B, GLN119A, GLN119B, GLU103A, GLU103B, GLU113A, GLU113B, GLU128A, GLU128B, GLU168A, GLU168B, GLU173A, GLU173B, GLY121A, GLY121B, GLY153A, GLY153B, GLY154A, GLY154B, GLY157A, GLY157B, GLY165A, GLY165B, ILE111A, ILE111B, ILE114A, ILE117A, ILE117B, ILE122A, ILE122B, ILE155A, ILE155B, ILE66B, LEU123A, LEU123B, LEU163A, LEU163B, LEU164A, LEU164B, LEU166A, LEU166B, LEU170A, LEU170B, LEU174A, LEU174B, LEU177A, LEU177B, LYS110A, LYS110B, LYS124A, LYS124B, LYS131A, LYS131B, LYS160A, LYS160B, LYS229A, LYS229B, LYS77B, PHE108A, PHE108B, PHE161A, PHE161B, PRO104A, PRO104B, SER102A, SER158A, SER158B, SER169A, SER169B, THR125A, THR125B, THR127A, THR127B, THR159A, THR159B, THR67A, THR67B, THR70A, THR70B, TYR120A, TYR120B, TYR156A, TYR156B, TYR171A, TYR171B, VAL105A, VAL105B, VAL116A, VAL116B
• A-C: ALA175A, ALA175C, ARG172A, ARG172C, ARG180A, ARG180C, ARG217A, ARG217C, ASN190A, ASN214A, ASN214C, ASN221A, ASN221C, ASN225A, ASN225C, ASP203A, ASP203C, ASP210A, ASP210C, ASP211A, ASP211C, ASP230A, ASP230C, CYS185A, CYS185C, CYS218A, CYS218C, CYS227A, CYS227C, GLN208A, GLN208C, GLU173A, GLU173C, GLU204A, GLU204C, GLU205A, GLU205C, GLU224A, GLU224C, GLU234A, GLU234C, GLU241A, GLU241C, GLY178A, GLY178C, GLY187A, GLY187C, ILE179A, ILE179C, ILE207A, ILE207C, ILE216A, ILE216C, ILE228A, ILE228C, ILE231A, ILE231C, ILE239A, ILE239C, ILE240A, ILE240C, LEU170A, LEU170C, LEU174A, LEU174C, LEU177A, LEU177C, LEU184A, LEU184C, LEU212A, LEU212C, LEU213A, LEU213C, LEU219A, LEU219C, LEU222A, LEU222C, LYS134A, LYS134C, LYS229A, LYS229C, LYS236A, LYS236C, LYS237A, LYS237C, PHE233A, PHE233C, PRO176A, PRO176C, PRO186A, PRO186C, PRO209A, PRO209C, SER223A, SER223C, SER238A, SER238C, THR182A, THR182C, THR215A, THR215C, TRP188A, TRP188C, TYR171A, TYR171C, VAL181A, VAL181C, VAL189A, VAL189C, VAL226A, VAL226C, VAL232A, VAL232C
• B-D: ALA175B, ALA175D, ARG144D, ARG172B, ARG172D, ARG180B, ARG180D, ARG217B, ARG217D, ASN135D, ASN214B, ASN214D, ASN221B, ASN221D, ASN225B, ASN225D, ASP203B, ASP203D, ASP210B, ASP210D, ASP211B, ASP211D, ASP230B, ASP230D, CYS185B, CYS185D, CYS218B, CYS218D, CYS227B, CYS227D, GLN208B, GLN208D, GLU173B, GLU173D, GLU204B, GLU204D, GLU205B, GLU205D, GLU224B, GLU224D, GLU234B, GLU234D, GLY136D, GLY178B, GLY178D, GLY187B, GLY187D, ILE179B, ILE179D, ILE207B, ILE207D, ILE216B, ILE216D, ILE228B, ILE228D, ILE231B, ILE231D, ILE239B, ILE239D, ILE240B, ILE240D, LEU170B, LEU170D, LEU174B, LEU174D, LEU177B, LEU177D, LEU184B, LEU184D, LEU212B, LEU212D, LEU213B, LEU213D, LEU219B, LEU219D, LEU222B, LEU222D, LYS134B, LYS134D, LYS229B, LYS229D, LYS236B, LYS236D, LYS237B, LYS237D, PHE233B, PHE233D, PRO176B, PRO176D, PRO186B, PRO186D, PRO209B, PRO209D, SER169B, SER223B, SER223D, SER238B, SER238D, THR182B, THR182D, THR215B, THR215D, TRP188B, TRP188D, TYR171B, TYR171D, VAL181D, VAL189B, VAL189D, VAL226B, VAL226D, VAL232B, VAL232D
• C-D: ALA118C, ALA118D, ALA151C, ALA162C, ALA162D, ALA167C, ALA167D, ALA72C, ARG109C, ARG109D, ARG172C, ARG172D, ASN107C, ASN107D, ASN115C, ASN115D, ASP106C, ASP106D, ASP152C, ASP152D, ASP68C, ASP68D, ASP73C, ASP73D, CYS69C, CYS69D, GLN119C, GLN119D, GLU103C, GLU103D, GLU113C, GLU113D, GLU128C, GLU128D, GLU168C, GLU168D, GLU173C, GLU173D, GLY121C, GLY121D, GLY153C, GLY153D, GLY154C, GLY154D, GLY157C, GLY157D, GLY165C, GLY165D, ILE111C, ILE111D, ILE114C, ILE114D, ILE117C, ILE117D, ILE122C, ILE122D, ILE155C, ILE155D, ILE66C, ILE66D, LEU123C, LEU123D, LEU163C, LEU163D, LEU164C, LEU164D, LEU166C, LEU166D, LEU170C, LEU170D, LEU174C, LEU174D, LYS110C, LYS110D, LYS124C, LYS124D, LYS131C, LYS160C, LYS160D, LYS229C, LYS229D, PHE108C, PHE108D, PHE150C, PHE161C, PHE161D, PRO104C, PRO104D, SER158C, SER158D, SER169C, SER169D, THR125C, THR125D, THR127C, THR127D, THR159C, THR159D, THR67C, THR67D, THR70C, THR70D, TYR120C, TYR120D, TYR156C, TYR156D, TYR171D, VAL105C, VAL105D, VAL116C, VAL116D