3TZH

crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(f187a) from vibrio cholerae

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 160
  • Norm. En. per Res.: -3.9932
• 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-D	-13.6486	55.6924	-74.1652	-32.1213	69	6	0	3753	0	17	21
A-F	-103.7811	-16.0904	-519.035	-638.9065	160	22	11	18925	0	10	22
B-E	-84.2992	-17.6567	-512.062	-614.0179	160	16	11	18763	0	10	22
B-F	-25.469	48.0	-68.0968	-45.5658	69	10	0	3730	0	17	21
C-D	-92.1965	-17.3761	-526.898	-636.4706	162	17	11	18959	0	10	22

Interface residues

• A-D: ALA40A, ALA40D, ALA46A, ALA46D, ALA48A, ALA61A, ALA61D, ALA72D, ALA76D, ARG101A, ARG120A, ARG19A, ARG95A, ARG95D, ASN114A, ASN63A, ASN63D, ASN66A, ASN66D, ASP109A, ASP51D, ASP55D, ASP79D, GLN47A, GLN47D, GLU104A, GLU105A, GLU105D, GLU106A, GLU112A, GLU43A, GLU43D, GLU68A, GLU80D, GLY45A, GLY45D, GLY54D, GLY57D, GLY59D, ILE110A, ILE77D, ILE93A, ILE93D, LEU62A, LEU62D, LYS103A, LYS58D, LYS75D, MET60D, PHE81D, PRO67A, SER108A, SER18A, SER42A, SER42D, SER44A, SER44D, SER50D, SER69A, SER69D, THR113A, THR113D, THR41A, THR41D, THR65A, THR65D, THR78D, VAL64A, VAL73D
• A-F: ALA170A, ALA170F, ALA174A, ALA174F, ALA184A, ALA184F, ALA187A, ALA187F, ALA210A, ALA210F, ALA220A, ALA220F, ALA222A, ALA222F, ALA224A, ALA224F, ALA231A, ALA231F, ALA232A, ALA232F, ARG136A, ARG136F, ARG171A, ARG171F, ARG176A, ARG176F, ARG212A, ARG212F, ARG217A, ARG217F, ARG32A, ARG32F, ASN181A, ASN181F, ASN242A, ASN242F, ASN6A, ASN6F, ASP215A, ASP215F, GLN207A, GLN207F, GLN3A, GLN3F, GLU172A, GLU172F, GLU189A, GLU189F, GLU218A, GLU218F, GLU230A, GLU230F, GLU237A, GLU237F, GLU31A, GLU31F, GLY177A, GLY177F, GLY186A, GLY186F, GLY211A, GLY211F, GLY214A, GLY214F, GLY236A, GLY236F, GLY243A, GLY243F, GLY244A, GLY244F, HIS240A, HIS240F, ILE163A, ILE163F, ILE188A, ILE188F, ILE219A, ILE219F, ILE234A, ILE234F, ILE248A, ILE248F, LEU205A, LEU205F, LEU213A, LEU213F, LEU226A, LEU226F, LEU239A, LEU239F, LEU28A, LEU28F, LEU29A, LEU29F, LEU7A, LEU7F, LYS167A, LYS167F, MET169A, MET169F, MET245A, MET245F, MET247A, MET247F, MET5A, MET5F, PHE225A, PHE225F, PHE4A, PHE4F, PRO185A, PRO185F, PRO209A, PRO209F, PRO229A, PRO229F, SER168A, SER168F, SER175A, SER175F, SER221A, SER221F, SER228A, SER228F, SER2A, SER2F, THR146A, THR146F, THR166A, THR166F, THR179A, THR179F, THR182A, THR182F, THR204A, THR204F, THR235A, THR235F, THR238A, THR238F, TYR233A, TYR233F, TYR246A, TYR246F, VAL143A, VAL143F, VAL173A, VAL173F, VAL178A, VAL178F, VAL180A, VAL180F, VAL183A, VAL183F, VAL208A, VAL208F, VAL223A, VAL223F, VAL241A, VAL241F
• B-E: ALA170B, ALA170E, ALA174B, ALA174E, ALA184B, ALA184E, ALA187B, ALA187E, ALA210B, ALA210E, ALA220B, ALA220E, ALA222B, ALA222E, ALA224B, ALA224E, ALA231B, ALA231E, ALA232B, ALA232E, ARG136B, ARG136E, ARG171B, ARG171E, ARG176B, ARG176E, ARG212B, ARG212E, ARG217B, ARG217E, ARG32B, ARG32E, ASN181B, ASN181E, ASN242B, ASN242E, ASN6B, ASN6E, ASP215B, ASP215E, GLN207B, GLN207E, GLN3B, GLN3E, GLU172B, GLU172E, GLU189B, GLU189E, GLU218B, GLU218E, GLU230B, GLU230E, GLU237B, GLU237E, GLU31B, GLU31E, GLY177B, GLY177E, GLY186B, GLY186E, GLY211B, GLY211E, GLY214B, GLY214E, GLY236B, GLY236E, GLY243B, GLY243E, GLY244B, GLY244E, HIS240B, HIS240E, ILE163B, ILE163E, ILE188B, ILE188E, ILE219B, ILE219E, ILE234B, ILE234E, ILE248B, ILE248E, LEU205B, LEU205E, LEU213B, LEU213E, LEU226B, LEU226E, LEU239B, LEU239E, LEU28B, LEU28E, LEU29B, LEU29E, LEU7B, LEU7E, LYS167B, LYS167E, MET169B, MET169E, MET245B, MET245E, MET247B, MET247E, MET5B, MET5E, PHE225B, PHE225E, PHE4B, PHE4E, PRO185B, PRO185E, PRO209B, PRO209E, PRO229B, PRO229E, SER168B, SER168E, SER175B, SER175E, SER221B, SER221E, SER228B, SER228E, SER2B, SER2E, THR146B, THR146E, THR166B, THR166E, THR179B, THR179E, THR182B, THR182E, THR204B, THR204E, THR235B, THR235E, THR238B, THR238E, TYR233B, TYR233E, TYR246B, TYR246E, VAL143B, VAL143E, VAL173B, VAL173E, VAL178B, VAL178E, VAL180B, VAL180E, VAL183B, VAL183E, VAL208B, VAL208E, VAL223B, VAL223E, VAL241B, VAL241E
• B-F: ALA40B, ALA40F, ALA46B, ALA46F, ALA48B, ALA61B, ALA61F, ALA72F, ALA76F, ARG101B, ARG120B, ARG19B, ARG95B, ARG95F, ASN114B, ASN63B, ASN63F, ASN66B, ASN66F, ASP109B, ASP51F, ASP55F, ASP79F, GLN47B, GLN47F, GLU104B, GLU105B, GLU105F, GLU106B, GLU112B, GLU43B, GLU43F, GLU68B, GLU80F, GLY45B, GLY45F, GLY54F, GLY57F, GLY59F, ILE110B, ILE77F, ILE93B, ILE93F, LEU62B, LEU62F, LYS103B, LYS58F, LYS75F, MET60F, PHE81F, PRO67B, SER108B, SER18B, SER42B, SER42F, SER44B, SER44F, SER50F, SER69B, SER69F, THR113B, THR113F, THR41B, THR41F, THR65B, THR65F, THR78F, VAL64B, VAL73F
• C-D: ALA170C, ALA170D, ALA174C, ALA174D, ALA184C, ALA184D, ALA187C, ALA187D, ALA210C, ALA210D, ALA220C, ALA220D, ALA222C, ALA222D, ALA224C, ALA224D, ALA231C, ALA231D, ALA232C, ALA232D, ARG136C, ARG136D, ARG171C, ARG171D, ARG176C, ARG176D, ARG212C, ARG212D, ARG217C, ARG217D, ARG32C, ARG32D, ASN181C, ASN181D, ASN242C, ASN242D, ASN6C, ASN6D, ASP215C, ASP215D, GLN207C, GLN207D, GLN3C, GLN3D, GLU172C, GLU172D, GLU189C, GLU189D, GLU218C, GLU218D, GLU230C, GLU230D, GLU237C, GLU237D, GLU31C, GLU31D, GLY177C, GLY177D, GLY186C, GLY186D, GLY211C, GLY211D, GLY214C, GLY214D, GLY236C, GLY236D, GLY243C, GLY243D, GLY244C, GLY244D, HIS240C, HIS240D, ILE163C, ILE163D, ILE188C, ILE188D, ILE219C, ILE219D, ILE234C, ILE234D, ILE248C, ILE248D, LEU205C, LEU205D, LEU213C, LEU213D, LEU226C, LEU226D, LEU239C, LEU239D, LEU28C, LEU28D, LEU29C, LEU29D, LEU7C, LEU7D, LYS167C, LYS167D, MET169C, MET169D, MET1C, MET1D, MET245C, MET245D, MET247C, MET247D, MET5C, MET5D, PHE225C, PHE225D, PHE4C, PHE4D, PRO185C, PRO185D, PRO209C, PRO209D, PRO229C, PRO229D, SER168C, SER168D, SER175C, SER175D, SER221C, SER221D, SER228C, SER228D, SER2C, SER2D, THR146C, THR146D, THR166C, THR166D, THR179C, THR179D, THR182C, THR182D, THR204C, THR204D, THR235C, THR235D, THR238C, THR238D, TYR233C, TYR233D, TYR246C, TYR246D, VAL143C, VAL143D, VAL173C, VAL173D, VAL178C, VAL178D, VAL180C, VAL180D, VAL183C, VAL183D, VAL208C, VAL208D, VAL223C, VAL223D, VAL241C, VAL241D