3FTP

crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from burkholderia pseudomallei at 2.05 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 134
  • Norm. En. per Res.: -5.5175
• 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	-105.6749	-164.4095	-460.634	-730.7184	137	22	17	18087	11	34	40
A-C	0.0	0.0	-7.8962	-7.8962	21	0	0	603	0	0	0
A-D	-28.1807	0.0	-458.8	-486.9807	152	5	8	16791	0	9	24
B-C	-38.1285	0.0	-456.015	-494.1435	152	9	8	16821	0	8	21
B-D	0.0	0.0	-7.2108	-7.2108	21	0	0	584	0	0	0
C-D	-75.9336	-174.4461	-488.959	-739.3387	134	16	17	18372	10	36	41

Interface residues

• A-B: ALA100A, ALA100B, ALA110B, ALA118A, ALA118B, ALA125A, ALA125B, ALA148A, ALA148B, ALA157A, ALA157B, ALA158A, ALA158B, ALA159A, ALA159B, ALA161A, ALA161B, ALA164A, ALA164B, ALA169A, ALA169B, ALA171A, ALA171B, ALA68A, ALA68B, ARG102A, ARG102B, ARG121A, ARG121B, ARG124A, ARG124B, ARG128A, ARG128B, ARG168A, ARG168B, ARG172A, ARG172B, ARG177B, ASN115A, ASN115B, ASN150A, ASN150B, ASN155A, ASN155B, ASN66A, ASP105A, ASP105B, ASP106A, ASP106B, ASP109A, ASP109B, ASP113A, ASP113B, GLN153A, GLN153B, GLN208A, GLN208B, GLN98A, GLN98B, GLU107A, GLU107B, GLU173A, GLU173B, GLY146A, GLY146B, GLY149A, GLY149B, GLY152A, GLY152B, GLY162A, GLY162B, GLY165A, GLY165B, GLY175A, GLY175B, ILE112A, ILE112B, ILE174A, ILE174B, ILE179B, LEU116A, LEU116B, LEU127A, LEU127B, LEU170A, LEU170B, LEU99A, LEU99B, LYS104A, LYS104B, LYS117A, LYS117B, LYS132B, LYS160A, LYS160B, MET101A, MET101B, MET103A, MET103B, MET130B, MET131A, MET131B, MET166A, MET166B, MET246A, MET246B, PHE120A, PHE120B, PHE188A, PHE188B, PHE247A, PHE247B, PRO129B, PRO151A, PRO151B, SER123A, SER123B, SER147A, SER147B, THR167A, THR167B, TRP108A, TRP108B, TYR156A, TYR156B, VAL119A, VAL119B, VAL126B, VAL144A, VAL144B, VAL145A, VAL145B, VAL154A, VAL154B, VAL163A, VAL163B, VAL181A
• A-C: ALA148A, ALA148C, GLN208A, GLY149A, GLY149C, GLY245A, GLY245C, MET246A, MET248A, MET248C, PHE247A, PHE247C, PRO151A, PRO151C, PRO210A, PRO210C, SER147A, SER147C, SER249A, SER249C, THR207C
• A-D: ALA164A, ALA164D, ALA169A, ALA169D, ALA171A, ALA171D, ALA185A, ALA185D, ALA221A, ALA221D, ALA223A, ALA223D, ALA225A, ALA225D, ALA232A, ALA232D, ARG134A, ARG137A, ARG137D, ARG168A, ARG168D, ARG172A, ARG172D, ARG177A, ARG177D, ARG213A, ARG213D, ARG30A, ARG30D, ASN182A, ASN182D, ASN243A, ASN243D, ASP190A, ASP190D, ASP219A, ASP219D, ASP2A, ASP2D, CYS183A, CYS183D, GLN208A, GLN208D, GLN231A, GLN231D, GLU173A, GLU173D, GLU218A, GLU218D, GLU26A, GLU26D, GLY136A, GLY165D, GLY175A, GLY175D, GLY178A, GLY178D, GLY187A, GLY187D, GLY212A, GLY212D, GLY215A, GLY215D, GLY233A, GLY233D, GLY237A, GLY237D, GLY244A, GLY244D, GLY245A, GLY245D, HIS222A, HIS222D, HIS241A, HIS241D, ILE174A, ILE174D, ILE179A, ILE179D, ILE189A, ILE189D, ILE209A, ILE209D, ILE220A, ILE220D, ILE235A, ILE235D, LEU170A, LEU170D, LEU205A, LEU205D, LEU211A, LEU211D, LEU214A, LEU214D, LEU227A, LEU227D, LEU240A, LEU240D, LYS206A, LYS206D, LYS3A, LYS3D, MET246A, MET246D, MET248A, MET248D, PHE188A, PHE188D, PHE226A, PHE226D, PHE247A, PHE247D, PRO186A, PRO186D, PRO210A, PRO210D, PRO230A, PRO230D, SER147A, SER147D, SER176A, SER176D, SER216A, SER216D, SER229A, SER229D, SER249A, SER249D, THR167A, THR167D, THR180A, THR180D, THR236A, THR236D, THR238A, THR238D, THR239A, THR239D, THR4A, THR4D, TYR234A, TYR234D, VAL144D, VAL181A, VAL181D, VAL184A, VAL184D, VAL224A, VAL224D, VAL242A, VAL242D
• B-C: ALA164B, ALA164C, ALA169B, ALA169C, ALA171B, ALA171C, ALA185B, ALA185C, ALA221B, ALA221C, ALA223B, ALA223C, ALA225B, ALA225C, ALA232B, ALA232C, ARG134B, ARG137B, ARG137C, ARG168B, ARG168C, ARG172B, ARG172C, ARG177B, ARG177C, ARG213B, ARG213C, ARG30B, ARG30C, ASN182B, ASN182C, ASN243B, ASN243C, ASP190B, ASP190C, ASP219B, ASP219C, ASP2B, ASP2C, CYS183B, CYS183C, GLN208B, GLN208C, GLN231B, GLN231C, GLU173B, GLU173C, GLU218B, GLU218C, GLU26B, GLU26C, GLY165B, GLY165C, GLY175B, GLY175C, GLY178B, GLY178C, GLY187B, GLY187C, GLY212B, GLY212C, GLY215B, GLY215C, GLY233B, GLY233C, GLY237B, GLY237C, GLY244B, GLY244C, GLY245B, GLY245C, HIS222B, HIS222C, HIS241B, HIS241C, ILE174B, ILE174C, ILE179B, ILE179C, ILE189B, ILE189C, ILE209B, ILE209C, ILE220B, ILE220C, ILE235B, ILE235C, LEU170B, LEU170C, LEU205B, LEU205C, LEU211B, LEU211C, LEU214B, LEU214C, LEU227B, LEU227C, LEU240B, LEU240C, LYS206B, LYS206C, LYS3B, MET246B, MET246C, MET248B, MET248C, PHE188B, PHE188C, PHE226B, PHE226C, PHE247B, PHE247C, PRO186B, PRO186C, PRO210B, PRO210C, PRO230B, PRO230C, SER147B, SER147C, SER176B, SER176C, SER216B, SER216C, SER229B, SER229C, SER249B, SER249C, THR167B, THR167C, THR180B, THR180C, THR207B, THR236B, THR236C, THR238B, THR238C, THR239B, THR239C, THR4B, THR4C, TYR234B, TYR234C, VAL144B, VAL181B, VAL181C, VAL184B, VAL184C, VAL224B, VAL224C, VAL242B, VAL242C
• B-D: ALA148B, ALA148D, GLY149B, GLY149D, GLY245B, GLY245D, MET246B, MET248B, MET248D, PHE247B, PHE247D, PRO151B, PRO151D, PRO210B, PRO210D, SER147B, SER147D, SER249B, SER249D, THR207B, THR207D
• C-D: ALA100C, ALA100D, ALA110C, ALA118C, ALA118D, ALA125C, ALA125D, ALA148C, ALA148D, ALA157C, ALA157D, ALA158C, ALA158D, ALA159C, ALA159D, ALA161C, ALA161D, ALA164C, ALA164D, ALA169C, ALA169D, ALA171C, ALA171D, ALA68C, ALA68D, ARG102C, ARG102D, ARG121C, ARG121D, ARG124C, ARG124D, ARG128C, ARG128D, ARG168C, ARG168D, ARG172C, ARG172D, ASN115C, ASN115D, ASN150C, ASN150D, ASN155C, ASN155D, ASN66D, ASP105C, ASP105D, ASP106C, ASP106D, ASP109C, ASP109D, ASP113C, ASP113D, GLN153C, GLN153D, GLN208C, GLN208D, GLN98C, GLN98D, GLU107C, GLU107D, GLU173C, GLU173D, GLY146C, GLY146D, GLY149C, GLY149D, GLY152C, GLY152D, GLY162C, GLY162D, GLY165C, GLY165D, GLY175C, GLY175D, ILE112C, ILE112D, ILE174C, ILE174D, ILE179D, LEU116C, LEU116D, LEU127C, LEU127D, LEU170C, LEU170D, LEU99C, LEU99D, LYS104C, LYS104D, LYS117C, LYS117D, LYS160C, LYS160D, MET101C, MET101D, MET103C, MET103D, MET131C, MET131D, MET166C, MET166D, MET246C, MET246D, PHE120C, PHE120D, PHE188C, PHE188D, PHE247C, PHE247D, PRO151C, PRO151D, SER123C, SER123D, SER147C, SER147D, THR167C, THR167D, TRP108C, TRP108D, TYR156C, TYR156D, VAL119C, VAL119D, VAL126D, VAL144C, VAL144D, VAL145C, VAL145D, VAL154C, VAL154D, VAL163C, VAL163D, VAL181C, VAL181D