3GRP

2.1 angstrom crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from bartonella henselae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 91
  • Norm. En. per Res.: -4.4111
• 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	-40.5729	15.4729	-476.761	-501.861	151	9	8	17394	0	9	21
A-C	0.0	0.0	-0.0051	-0.0051	2	0	0	3	0	0	0
A-D	-32.3512	-149.1575	-219.904	-401.4128	91	11	9	8640	12	24	15
B-C	-13.9563	-91.4237	-209.347	-314.727	91	5	8	8571	5	22	14
B-D	0.0	0.0	-8.4733	-8.4733	8	2	1	272	0	0	0
C-D	-40.1708	18.2757	-476.382	-498.277	145	12	10	17365	0	9	21

Interface residues

• A-B: ALA167A, ALA167B, ALA171A, ALA171B, ALA181A, ALA181B, ALA217A, ALA217B, ALA219A, ALA219B, ALA21A, ALA21B, ALA228A, ALA228B, ALA229A, ALA229B, ALA243B, ALA28A, ALA28B, ARG130A, ARG130B, ARG133A, ARG133B, ARG173A, ARG173B, ARG209A, ARG209B, ARG24A, ARG24B, ASN174A, ASN174B, ASN178A, ASN178B, ASN239A, ASN239B, ASP226A, ASP226B, CYS25A, CYS25B, GLN168A, GLN168B, GLN234A, GLN234B, GLN29A, GLN29B, GLU169A, GLU169B, GLU214A, GLU214B, GLU215A, GLU215B, GLU227A, GLU227B, GLY183A, GLY183B, GLY211A, GLY211B, GLY233A, GLY233B, GLY240A, GLY240B, GLY241A, GLY241B, HIS237A, HIS237B, HIS27A, HIS27B, ILE140A, ILE140B, ILE170A, ILE170B, ILE175A, ILE175B, ILE180A, ILE180B, ILE185A, ILE185B, ILE201A, ILE201B, ILE205A, ILE205B, ILE212A, ILE212B, ILE216A, ILE216B, ILE22B, ILE238A, ILE238B, LEU223A, LEU223B, LEU231A, LEU231B, LEU236A, LEU236B, LEU4A, LEU4B, LYS164A, LYS164B, LYS186A, LYS186B, LYS208A, LYS208B, LYS3A, LYS3B, MET1A, MET1B, MET202A, MET202B, MET204A, MET204B, MET207A, MET207B, MET210A, MET210B, MET242A, MET242B, MET244B, PHE184A, PHE184B, PHE218A, PHE218B, PHE26A, PHE26B, PHE2A, PHE2B, PRO182A, PRO182B, PRO206A, PRO206B, SER0A, SER0B, SER172A, SER172B, SER225A, SER225B, THR176A, THR176B, THR220A, THR220B, THR232A, THR232B, THR235A, THR235B, TYR222A, TYR222B, TYR230A, TYR230B, VAL177A, VAL177B, VAL221A, VAL221B
• A-C: ALA243C, MET242A
• A-D: ALA109A, ALA109D, ALA114A, ALA114D, ALA115A, ALA115D, ALA154A, ALA154D, ALA155A, ALA155D, ALA157A, ALA157D, ALA165A, ALA165D, ALA167A, ALA167D, ARG120A, ARG120D, ARG64A, ARG64D, ASN111A, ASN111D, ASN151A, ASN151D, ASP101A, ASP101D, ASP103A, ASP103D, ASP105A, ASP105D, ASP106A, ASP106D, CYS153A, CYS153D, GLN100A, GLN102A, GLN102D, GLN149A, GLN149D, GLN168A, GLN168D, GLU121A, GLU121D, GLU169A, GLU169D, GLY148A, GLY158A, GLY158D, GLY161A, GLY161D, HIS124D, ILE123A, ILE123D, ILE160A, ILE160D, ILE170A, ILE170D, LEU108A, LEU108D, LEU112A, LEU112D, LEU159A, LEU159D, LEU166A, LEU166D, LYS156A, LYS156D, LYS164A, LYS164D, LYS68A, LYS68D, MET99A, PHE162A, PHE162D, SER116A, SER116D, SER163A, SER163D, THR113A, THR113D, THR117A, THR117D, THR119A, THR119D, THR150A, THR150D, TRP104A, TRP104D, TYR152A, TYR152D, VAL177A
• B-C: ALA109B, ALA109C, ALA114B, ALA114C, ALA115B, ALA115C, ALA154B, ALA154C, ALA155B, ALA155C, ALA157B, ALA157C, ALA165B, ALA165C, ALA167B, ALA167C, ARG120B, ARG120C, ARG64B, ARG64C, ASN111C, ASN151B, ASN151C, ASP101C, ASP103B, ASP103C, ASP105B, ASP105C, ASP106B, ASP106C, CYS153B, CYS153C, GLN100C, GLN102B, GLN102C, GLN149B, GLN149C, GLN168B, GLN168C, GLU121B, GLU169B, GLU169C, GLY148B, GLY158B, GLY158C, GLY161B, GLY161C, GLY233C, ILE123B, ILE123C, ILE160B, ILE160C, ILE170B, ILE170C, LEU108B, LEU108C, LEU112B, LEU112C, LEU159B, LEU159C, LEU166B, LEU166C, LYS156B, LYS156C, LYS164B, LYS164C, LYS68B, LYS68C, MET127B, MET244B, MET99B, PHE162B, PHE162C, SER116B, SER116C, SER163B, SER163C, THR113B, THR113C, THR117B, THR117C, THR119B, THR119C, THR150B, THR150C, TRP104B, TRP104C, TYR152B, TYR152C, VAL177B, VAL177C
• B-D: ALA243B, ALA243D, GLY241D, MET204B, MET204D, MET242B, MET242D, MET244B
• C-D: ALA167C, ALA167D, ALA171C, ALA171D, ALA181C, ALA181D, ALA217C, ALA217D, ALA219C, ALA219D, ALA228C, ALA228D, ALA229C, ALA229D, ALA243C, ALA243D, ALA28C, ALA28D, ARG130C, ARG130D, ARG133C, ARG133D, ARG173C, ARG173D, ARG209C, ARG209D, ARG24C, ARG24D, ASN174C, ASN174D, ASN178C, ASN178D, ASN239C, ASN239D, ASP226C, ASP226D, CYS25C, CYS25D, GLN168C, GLN168D, GLN234C, GLN234D, GLN29C, GLN29D, GLU169C, GLU169D, GLU214C, GLU214D, GLU215C, GLU215D, GLU227C, GLU227D, GLY183C, GLY183D, GLY211C, GLY211D, GLY233C, GLY233D, GLY240C, GLY240D, GLY241C, GLY241D, HIS237C, HIS237D, HIS27D, ILE140C, ILE140D, ILE170C, ILE170D, ILE175C, ILE175D, ILE180C, ILE180D, ILE185C, ILE185D, ILE201C, ILE205C, ILE205D, ILE212C, ILE212D, ILE216C, ILE216D, ILE238C, ILE238D, LEU223C, LEU223D, LEU231C, LEU231D, LEU236C, LEU236D, LEU4C, LEU4D, LYS164C, LYS164D, LYS186C, LYS186D, LYS208C, LYS208D, LYS3C, LYS3D, MET1C, MET1D, MET202C, MET204C, MET204D, MET207C, MET207D, MET210C, MET210D, MET242C, MET242D, PHE184C, PHE184D, PHE218C, PHE218D, PHE26C, PHE26D, PHE2C, PHE2D, PRO182C, PRO182D, PRO206C, PRO206D, SER0C, SER0D, SER172C, SER172D, SER225C, SER225D, THR176C, THR176D, THR220C, THR220D, THR232C, THR232D, THR235C, THR235D, TYR222C, TYR222D, TYR230C, TYR230D, VAL177C, VAL177D, VAL221C, VAL221D