3G64

crystal structure of putative enoyl-coa hydratase from streptomyces coelicolor a3(2)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 158
  • Norm. En. per Res.: -3.7117
• 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	-65.9453	-40.1609	-480.349	-586.4553	158	18	20	19837	6	34	34
A-C	-70.3973	-38.0623	-482.153	-590.6126	160	12	19	19955	6	33	33
B-C	-50.7848	-22.3485	-463.353	-536.4863	159	15	19	19523	6	34	35

Interface residues

• A-B: ALA106B, ALA132A, ALA132B, ALA133A, ALA160B, ALA161B, ALA173B, ALA188A, ALA211A, ALA219A, ALA221A, ALA223A, ALA227A, ALA231A, ALA231B, ALA238A, ALA239A, ALA240A, ALA245A, ALA249A, ALA258A, ALA262A, ALA84B, ALA91B, ARG105B, ARG108A, ARG108B, ARG136A, ARG150B, ARG166A, ARG166B, ARG175B, ARG190A, ARG190B, ARG213A, ARG275A, ARG92B, ARG98B, ASN97B, ASP134A, ASP157B, ASP181B, ASP234A, ASP234B, ASP244A, ASP256A, ASP77B, ASP79B, ASP89B, ASP95B, GLN102B, GLN224A, GLN248A, GLU109B, GLU187B, GLU189A, GLU196A, GLU232A, GLU242A, GLU255A, GLU259A, GLU80B, GLY101B, GLY152B, GLY155B, GLY156B, GLY159B, GLY169A, GLY169B, GLY171B, GLY180B, GLY192A, GLY217A, GLY254A, GLY274A, GLY83B, HIS172B, HIS222A, HIS261A, ILE115A, ILE191A, ILE191B, ILE194A, ILE81B, ILE82B, LEU131A, LEU147B, LEU153B, LEU163A, LEU163B, LEU164A, LEU164B, LEU170A, LEU170B, LEU176B, LEU177B, LEU179B, LEU193A, LEU210A, LEU214A, LEU220A, LEU228A, LEU229A, LEU233A, LEU233B, LEU237A, LEU237B, LEU243A, LEU250A, LEU251A, LEU86B, LEU93B, LEU94B, LYS226A, PHE135A, PHE148B, PHE260A, PHE264A, PHE41B, PHE96B, PRO113A, PRO165A, PRO165B, PRO218A, PRO236A, PRO270A, SER154B, SER195A, SER246A, SER87B, THR100B, THR149B, THR174B, THR182B, THR225A, THR230A, THR230B, THR247A, THR253A, THR265A, THR85B, THR90B, TRP272A, TYR162A, TYR162B, TYR257A, VAL103B, VAL104B, VAL107B, VAL114A, VAL128B, VAL137A, VAL151B, VAL167A, VAL168A, VAL168B, VAL241A, VAL78B
• A-C: ALA106A, ALA132A, ALA132C, ALA133C, ALA160A, ALA161A, ALA173A, ALA188C, ALA211C, ALA219C, ALA221C, ALA223C, ALA227C, ALA231A, ALA231C, ALA238C, ALA239C, ALA240C, ALA245C, ALA249C, ALA258C, ALA262C, ALA84A, ALA91A, ARG105A, ARG108A, ARG108C, ARG136C, ARG150A, ARG166A, ARG166C, ARG175A, ARG190A, ARG190C, ARG213C, ARG275C, ARG92A, ARG98A, ASN97A, ASP134C, ASP157A, ASP181A, ASP234A, ASP234C, ASP244C, ASP256C, ASP77A, ASP79A, ASP89A, ASP95A, GLN102A, GLN224C, GLN248C, GLU109A, GLU187A, GLU189C, GLU196C, GLU232C, GLU242C, GLU255C, GLU259C, GLU80A, GLY101A, GLY152A, GLY155A, GLY156A, GLY159A, GLY169A, GLY169C, GLY171A, GLY180A, GLY192C, GLY217C, GLY254C, GLY274C, GLY83A, HIS172A, HIS222C, HIS261C, ILE115C, ILE191A, ILE191C, ILE194C, ILE81A, ILE82A, LEU131C, LEU147A, LEU153A, LEU163A, LEU163C, LEU164A, LEU164C, LEU170A, LEU170C, LEU176A, LEU177A, LEU179A, LEU193C, LEU210C, LEU214C, LEU220C, LEU228C, LEU229C, LEU233A, LEU233C, LEU237A, LEU237C, LEU243C, LEU250C, LEU251C, LEU86A, LEU93A, LEU94A, LYS226C, LYS267C, PHE135C, PHE146A, PHE148A, PHE260C, PHE264C, PHE41A, PHE96A, PRO113C, PRO165A, PRO165C, PRO218C, PRO236C, PRO270C, SER154A, SER195C, SER246C, SER87A, THR100A, THR149A, THR174A, THR182A, THR225C, THR230A, THR230C, THR247C, THR253C, THR265C, THR85A, THR90A, TRP272C, TYR162A, TYR162C, TYR257C, VAL103A, VAL104A, VAL107A, VAL114C, VAL128A, VAL137C, VAL151A, VAL167C, VAL168A, VAL168C, VAL241C, VAL78A
• B-C: ALA106C, ALA132B, ALA132C, ALA133B, ALA160C, ALA161C, ALA173C, ALA188B, ALA211B, ALA219B, ALA221B, ALA223B, ALA227B, ALA231B, ALA231C, ALA238B, ALA239B, ALA240B, ALA245B, ALA249B, ALA258B, ALA262B, ALA84C, ALA91C, ARG105C, ARG108B, ARG108C, ARG136B, ARG150C, ARG166B, ARG166C, ARG175C, ARG190B, ARG190C, ARG213B, ARG275B, ARG92C, ARG98C, ASN97C, ASP134B, ASP157C, ASP181C, ASP234B, ASP234C, ASP244B, ASP256B, ASP77C, ASP79C, ASP89C, ASP95C, GLN102C, GLN224B, GLN248B, GLU109C, GLU187C, GLU189B, GLU196B, GLU232B, GLU242B, GLU255B, GLU259B, GLU80C, GLY101C, GLY152C, GLY155C, GLY156C, GLY159C, GLY169B, GLY169C, GLY171C, GLY180C, GLY192B, GLY217B, GLY254B, GLY274B, GLY83C, HIS172C, HIS222B, HIS261B, ILE115B, ILE191B, ILE191C, ILE194B, ILE81C, ILE82C, LEU131B, LEU147C, LEU153C, LEU163B, LEU163C, LEU164B, LEU164C, LEU170B, LEU170C, LEU176C, LEU177C, LEU179C, LEU193B, LEU210B, LEU214B, LEU220B, LEU228B, LEU229B, LEU233B, LEU233C, LEU237B, LEU237C, LEU243B, LEU250B, LEU251B, LEU86C, LEU93C, LEU94C, LYS226B, PHE135B, PHE146C, PHE148C, PHE260B, PHE264B, PHE41C, PHE96C, PRO113B, PRO165B, PRO165C, PRO218B, PRO236B, PRO270B, SER154C, SER195B, SER246B, SER87C, THR100C, THR149C, THR174C, THR182C, THR225B, THR230B, THR230C, THR247B, THR253B, THR265B, THR85C, THR90C, TRP272B, TYR162B, TYR162C, TYR257B, VAL103C, VAL104C, VAL107C, VAL114B, VAL128C, VAL137B, VAL151C, VAL167B, VAL168B, VAL168C, VAL241B, VAL78C