1ZOW

crystal structure of s. aureus fabh, beta-ketoacyl carrier protein synthase iii

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 203
  • Norm. En. per Res.: -3.4738
• 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	-83.5391	-28.7466	-606.091	-718.3767	210	40	10	23362	1	36	33
A-C	-29.6823	-13.6308	-113.637	-156.9501	78	14	0	5852	7	62	59
C-D	-67.9328	-25.7982	-611.441	-705.1719	203	52	11	23196	2	35	33

Interface residues

• A-B: ALA104A, ALA104B, ALA110A, ALA110B, ALA111A, ALA111B, ALA122A, ALA122B, ALA217B, ALA79A, ALA79B, ALA81A, ALA81B, ALA91A, ALA91B, ARG212A, ARG212B, ARG220A, ARG220B, ARG97A, ARG97B, ASN92A, ASN92B, ASP107A, ASP107B, ASP130A, ASP130B, ASP140A, ASP140B, ASP183A, ASP183B, ASP193A, ASP193B, ASP195A, ASP195B, ASP216B, ASP47A, ASP48A, ASP50A, ASP50B, ASP53A, ASP53B, ASP74A, ASP74B, ASP84A, ASP84B, CYS112A, CYS112B, GLN108A, GLN108B, GLN124A, GLN124B, GLN127A, GLN127B, GLN49A, GLN95A, GLN95B, GLU179A, GLU179B, GLU96A, GLU96B, GLY101A, GLY101B, GLY114A, GLY114B, GLY129A, GLY129B, GLY181A, GLY181B, GLY184A, GLY184B, GLY186A, GLY186B, GLY187A, GLY187B, GLY197A, GLY197B, GLY299A, GLY299B, GLY300A, GLY300B, GLY301A, GLY301B, GLY305A, GLY305B, GLY83A, GLY83B, GLY99A, GLY99B, HIS189A, HIS189B, ILE120A, ILE120B, ILE134A, ILE134B, ILE145A, ILE145B, ILE213A, ILE213B, ILE76A, ILE76B, ILE77A, ILE77B, LEU109A, LEU109B, LEU142A, LEU142B, LEU190A, LEU190B, LEU192A, LEU192B, LEU199A, LEU199B, LEU302A, LEU302B, LEU94A, LEU94B, LYS102A, LYS102B, LYS123A, LYS123B, LYS141A, LYS144A, LYS144B, LYS188A, LYS188B, LYS194A, LYS194B, LYS198A, LYS198B, LYS200A, LYS200B, LYS224A, LYS224B, MET106A, MET106B, MET116A, MET116B, MET119A, MET119B, MET180A, MET180B, MET201A, MET201B, MET75A, MET75B, MET85A, MET85B, MET93A, MET93B, PHE157A, PHE157B, PHE209A, PHE209B, PHE87A, PHE87B, PRO86A, PRO86B, PRO88A, PRO88B, SER105A, SER105B, SER113A, SER113B, SER118A, SER118B, SER128A, SER128B, SER182A, SER182B, SER270A, SER270B, SER52A, SER52B, THR100A, THR100B, THR121A, THR121B, THR185A, THR185B, THR303A, THR303B, THR51A, THR51B, THR80A, THR80B, THR82A, THR82B, THR89A, THR89B, TRP304A, TRP304B, TYR117A, TYR117B, TYR125A, TYR125B, TYR131A, TYR131B, TYR178A, TYR178B, TYR191A, TYR191B, VAL103A, VAL103B, VAL126A, VAL126B, VAL78A, VAL78B, VAL90A, VAL90B
• A-C: ALA10C, ALA12A, ALA12C, ALA20A, ALA20C, ARG42C, ASN19A, ASN19C, ASN264A, ASN264C, ASN284A, ASN284C, ASP18A, ASP18C, ASP279C, ASP30C, ASP46C, GLN24A, GLN24C, GLN280A, GLN280C, GLU14A, GLU14C, GLU23A, GLU23C, GLU281A, GLU281C, GLU31C, GLU41A, GLU41C, GLU57A, GLU57C, GLY285A, GLY285C, HIS43A, HIS43C, ILE16A, ILE16C, ILE17A, ILE17C, LEU282A, LEU282C, LEU287A, LYS15A, LYS15C, LYS256A, LYS265A, LYS265C, LYS283A, LYS283C, LYS286A, LYS286C, LYS288A, LYS40A, LYS40C, LYS61A, LYS61C, PHE22A, PHE22C, PHE25A, PHE25C, PRO13A, PRO13C, SER262A, SER262C, SER29A, SER29C, THR28A, THR28C, TRP44C, TYR11A, TYR11C, TYR21A, TYR21C, TYR266A, TYR266C, VAL261A, VAL261C
• C-D: ALA104C, ALA104D, ALA110C, ALA110D, ALA111C, ALA111D, ALA122C, ALA122D, ALA79C, ALA79D, ALA81C, ALA81D, ALA91C, ALA91D, ARG212C, ARG212D, ARG220C, ARG220D, ARG97C, ARG97D, ASN92C, ASN92D, ASP107C, ASP107D, ASP130C, ASP130D, ASP140C, ASP140D, ASP183C, ASP183D, ASP193C, ASP193D, ASP195C, ASP195D, ASP47C, ASP48C, ASP50C, ASP50D, ASP74C, ASP74D, ASP84C, ASP84D, CYS112C, CYS112D, GLN108C, GLN108D, GLN124C, GLN124D, GLN127C, GLN127D, GLN95C, GLN95D, GLU179C, GLU179D, GLU96C, GLU96D, GLY101C, GLY101D, GLY114C, GLY114D, GLY129C, GLY129D, GLY181C, GLY181D, GLY184C, GLY184D, GLY186C, GLY186D, GLY187C, GLY187D, GLY197C, GLY197D, GLY299C, GLY299D, GLY300C, GLY300D, GLY301C, GLY301D, GLY305C, GLY305D, GLY83C, GLY83D, GLY99C, GLY99D, HIS189C, HIS189D, ILE120C, ILE120D, ILE134C, ILE134D, ILE145C, ILE145D, ILE213C, ILE213D, ILE76C, ILE76D, ILE77C, ILE77D, LEU109C, LEU109D, LEU142C, LEU142D, LEU190C, LEU190D, LEU192C, LEU192D, LEU199C, LEU199D, LEU302C, LEU302D, LEU94C, LEU94D, LYS102C, LYS102D, LYS123C, LYS123D, LYS141C, LYS144C, LYS144D, LYS188C, LYS188D, LYS194C, LYS194D, LYS198C, LYS198D, LYS200C, LYS200D, LYS224C, MET106C, MET106D, MET116C, MET116D, MET119C, MET119D, MET180C, MET180D, MET201C, MET201D, MET75C, MET75D, MET85C, MET85D, MET93C, MET93D, PHE157C, PHE157D, PHE209C, PHE209D, PHE87C, PHE87D, PRO86C, PRO86D, PRO88C, PRO88D, SER105C, SER105D, SER113C, SER113D, SER118C, SER118D, SER128C, SER128D, SER182C, SER182D, SER270C, SER52C, THR100C, THR100D, THR121C, THR121D, THR146D, THR185C, THR185D, THR303C, THR303D, THR51C, THR51D, THR80C, THR80D, THR82C, THR82D, THR89C, THR89D, TRP304C, TRP304D, TYR117C, TYR117D, TYR125C, TYR125D, TYR131C, TYR131D, TYR178C, TYR178D, TYR191C, TYR191D, VAL103C, VAL103D, VAL126C, VAL126D, VAL78C, VAL78D, VAL90C, VAL90D