3KRT

crystal structure of putative crotonyl coa reductase from streptomyces coelicolor a3(2)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 160
  • Norm. En. per Res.: -4.752
• 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	-49.6285	-36.5625	-308.565	-394.756	111	14	1	10765	0	42	41
A-C	-47.8028	-53.6909	-200.739	-302.2327	109	14	0	8978	4	48	36
A-D	-127.6726	-73.0254	-559.622	-760.32	160	19	3	19640	4	45	62
B-C	-118.6792	-63.8329	-544.611	-727.1231	155	20	4	19213	3	40	58
B-D	-63.6299	-55.8098	-211.063	-330.5027	108	9	0	9174	6	47	36
C-D	-63.2089	-39.1031	-293.119	-395.431	111	14	1	10584	0	42	38

Interface residues

• A-B: ALA111A, ALA111B, ALA138A, ALA138B, ALA371A, ALA371B, ALA376A, ALA376B, ALA73B, ARG106A, ARG106B, ARG216A, ARG216B, ARG221A, ARG221B, ARG364A, ARG364B, ARG374A, ARG374B, ASN137A, ASN137B, ASN161A, ASN161B, ASN190A, ASN190B, ASN222A, ASN222B, ASN372A, ASN372B, ASP109A, ASP109B, ASP158A, ASP158B, ASP162A, ASP162B, ASP166A, ASP166B, GLN191A, GLN191B, GLU153A, GLU153B, GLU155A, GLU155B, GLU168A, GLU168B, GLU375A, GLU375B, GLU378A, GLU378B, GLY135A, GLY135B, GLY159A, GLY159B, GLY71A, GLY71B, HIS148A, HIS148B, HIS160A, HIS160B, LEU110A, LEU110B, LEU150A, LEU150B, LEU154A, LEU154B, LEU165A, LEU165B, LEU192A, LEU192B, LYS188A, LYS188B, MET164A, MET164B, MET193A, MET193B, PRO134A, PRO134B, PRO167A, PRO167B, PRO70A, PRO70B, SER108A, SER108B, SER151A, SER151B, SER156A, SER156B, SER157A, SER157B, SER189A, SER189B, SER220A, SER220B, THR132A, THR132B, THR163A, THR163B, TRP139A, TRP139B, TRP377A, TRP377B, TYR104A, TYR104B, TYR373A, TYR373B, VAL107A, VAL107B, VAL136A, VAL136B, VAL152A, VAL152B
• A-C: ALA224A, ALA224C, ALA245A, ALA245C, ALA249A, ALA249C, ALA251A, ALA251C, ALA254A, ALA254C, ALA276C, ALA379A, ALA379C, ARG221A, ARG221C, ARG335A, ARG335C, ARG364A, ARG364C, ARG374A, ARG374C, ARG381A, ARG381C, ARG387A, ARG387C, ASN222A, ASN222C, ASN231A, ASN231C, ASN255A, ASN255C, ASP230A, ASP230C, ASP314A, ASP314C, ASP316A, ASP316C, GLN228A, GLN228C, GLN247A, GLN247C, GLN438A, GLN438C, GLU275A, GLU275C, GLU313A, GLU313C, GLU375A, GLU375C, GLU378A, GLU378C, GLY223A, GLY223C, GLY225A, GLY225C, GLY229A, GLY229C, GLY252A, GLY252C, GLY253A, GLY253C, GLY311A, GLY311C, GLY337A, GLY337C, GLY338A, GLY338C, ILE257A, ILE257C, ILE315A, ILE315C, ILE317A, ILE317C, ILE366A, ILE366C, ILE388A, ILE388C, LEU218A, LEU218C, LEU250A, LEU250C, LEU309A, LEU309C, LEU382A, LEU382C, LYS227A, LYS227C, LYS336A, LYS336C, LYS385A, LYS385C, MET226A, MET226C, PHE248A, PHE248C, PRO256A, SER220A, SER220C, THR310A, THR310C, THR339A, THR339C, TRP377A, TRP377C, TYR215A, TYR215C, TYR244C, VAL219A, VAL219C
• A-D: ALA224A, ALA224D, ALA344A, ALA344D, ALA371A, ALA371D, ARG170D, ARG216A, ARG216D, ARG221A, ARG221D, ARG324A, ARG324D, ARG335A, ARG335D, ARG356A, ARG356D, ARG364A, ARG364D, ASN161A, ASN161D, ASN222A, ASN222D, ASN292A, ASN292D, ASN355A, ASN355D, ASN372A, ASN372D, ASP158A, ASP158D, ASP162A, ASP162D, ASP166A, ASP166D, ASP354A, ASP354D, CYS343A, CYS343D, GLN169A, GLN169D, GLN217A, GLN217D, GLN294A, GLN294D, GLU168A, GLU168D, GLU175A, GLU291D, GLU320A, GLU320D, GLU352A, GLU352D, GLU375A, GLU375D, GLY159A, GLY159D, GLY223A, GLY223D, GLY323A, GLY323D, GLY328A, GLY328D, GLY337A, GLY337D, GLY338A, GLY338D, GLY348A, GLY348D, GLY367A, GLY367D, HIS321A, HIS321D, HIS351A, HIS351D, HIS369A, HIS369D, ILE171A, ILE171D, ILE340A, ILE340D, ILE365A, ILE365D, ILE366A, ILE366D, LEU150A, LEU150D, LEU165A, LEU165D, LEU358A, LEU358D, LEU362A, LEU362D, LYS227A, LYS227D, LYS336A, LYS336D, LYS363A, LYS363D, MET164A, MET164D, MET350A, MET350D, MET360A, MET360D, PHE174A, PHE174D, PHE327A, PHE327D, PHE370A, PHE370D, PRO167A, PRO167D, PRO296A, PRO296D, PRO322D, PRO94A, PRO94D, SER156A, SER156D, SER157A, SER157D, SER220A, SER220D, SER345A, SER345D, SER361A, SER361D, SER368A, SER368D, THR163A, THR163D, THR213A, THR213D, THR293A, THR293D, THR339A, THR339D, THR341A, THR341D, THR342A, THR342D, THR346A, THR346D, TRP288A, TRP288D, TRP299A, TRP299D, TRP359A, TRP359D, TYR349A, TYR349D, TYR353A, TYR353D, TYR357A, TYR357D, VAL152A, VAL152D, VAL331A, VAL331D
• B-C: ALA224B, ALA224C, ALA344B, ALA344C, ALA371B, ALA371C, ARG216B, ARG216C, ARG221B, ARG221C, ARG324B, ARG324C, ARG335B, ARG335C, ARG356B, ARG356C, ARG364B, ARG364C, ASN161B, ASN161C, ASN222B, ASN222C, ASN292B, ASN292C, ASN355B, ASN355C, ASN372B, ASN372C, ASP158B, ASP158C, ASP162B, ASP162C, ASP166B, ASP166C, ASP354B, ASP354C, CYS343B, CYS343C, GLN169B, GLN169C, GLN217B, GLN217C, GLN294B, GLN294C, GLU168B, GLU168C, GLU175B, GLU291C, GLU320B, GLU320C, GLU352B, GLU352C, GLU375B, GLU375C, GLY159B, GLY159C, GLY223B, GLY223C, GLY323B, GLY323C, GLY328C, GLY337B, GLY337C, GLY338B, GLY338C, GLY348B, GLY348C, GLY367B, GLY367C, HIS321B, HIS321C, HIS351B, HIS351C, HIS369B, HIS369C, HIS88C, ILE171B, ILE340B, ILE340C, ILE365B, ILE365C, ILE366B, ILE366C, LEU150B, LEU150C, LEU165B, LEU165C, LEU358B, LEU358C, LEU362B, LEU362C, LYS227B, LYS227C, LYS336B, LYS336C, LYS363B, LYS363C, MET164B, MET164C, MET350B, MET350C, MET360B, MET360C, PHE174B, PHE174C, PHE327B, PHE327C, PHE370B, PHE370C, PRO167B, PRO167C, PRO296B, PRO296C, PRO322C, PRO94B, PRO94C, SER156B, SER156C, SER157B, SER157C, SER345B, SER345C, SER361B, SER361C, SER368B, SER368C, THR163B, THR163C, THR213B, THR213C, THR293B, THR293C, THR339B, THR339C, THR341B, THR341C, THR342B, THR342C, THR346B, THR346C, TRP288B, TRP288C, TRP299B, TRP299C, TRP359B, TRP359C, TYR349B, TYR349C, TYR353B, TYR353C, TYR357B, TYR357C, VAL152C, VAL331B, VAL331C
• B-D: ALA224B, ALA224D, ALA245B, ALA245D, ALA249B, ALA249D, ALA251B, ALA251D, ALA254B, ALA254D, ALA379B, ALA379D, ARG216B, ARG221B, ARG221D, ARG335B, ARG335D, ARG364B, ARG364D, ARG374B, ARG374D, ARG381B, ARG381D, ARG387B, ARG387D, ASN222B, ASN222D, ASN231B, ASN231D, ASN255B, ASN255D, ASP230B, ASP230D, ASP314B, ASP314D, ASP316B, ASP316D, GLN228B, GLN228D, GLN247B, GLN247D, GLN438B, GLN438D, GLU275B, GLU275D, GLU313B, GLU313D, GLU375B, GLU375D, GLU378B, GLU378D, GLY223B, GLY223D, GLY225B, GLY225D, GLY229B, GLY229D, GLY252B, GLY252D, GLY253B, GLY253D, GLY311B, GLY311D, GLY337B, GLY337D, GLY338B, GLY338D, ILE257B, ILE257D, ILE315D, ILE317B, ILE317D, ILE366B, ILE366D, ILE388B, ILE388D, LEU218B, LEU218D, LEU250B, LEU250D, LEU309B, LEU309D, LEU382B, LEU382D, LYS227B, LYS227D, LYS336B, LYS336D, LYS385B, LYS385D, MET226B, MET226D, PHE248B, PHE248D, SER220B, SER220D, THR310B, THR310D, THR339B, THR339D, TRP377B, TRP377D, TYR215B, TYR215D, TYR244D, VAL219B, VAL219D, VAL232D
• C-D: ALA111C, ALA111D, ALA138C, ALA138D, ALA371C, ALA371D, ALA376C, ALA376D, ARG106D, ARG170C, ARG216C, ARG216D, ARG221C, ARG221D, ARG364C, ARG364D, ARG374C, ARG374D, ARG381C, ASN137C, ASN137D, ASN161C, ASN161D, ASN190C, ASN190D, ASN222C, ASN222D, ASN372C, ASN372D, ASP109C, ASP109D, ASP158C, ASP158D, ASP162C, ASP162D, ASP166C, ASP166D, GLN191C, GLN191D, GLU153C, GLU153D, GLU155C, GLU155D, GLU168C, GLU168D, GLU375C, GLU375D, GLU378C, GLU378D, GLY135C, GLY135D, GLY159C, GLY159D, GLY71C, GLY71D, HIS148C, HIS148D, HIS160C, HIS160D, LEU110C, LEU110D, LEU150C, LEU150D, LEU154C, LEU154D, LEU165C, LEU165D, LEU192C, LEU192D, LYS188C, LYS188D, MET164C, MET164D, MET193C, MET193D, PRO134C, PRO134D, PRO167C, PRO167D, PRO194C, PRO194D, PRO70C, PRO70D, SER108C, SER108D, SER156C, SER156D, SER157C, SER157D, SER189C, SER189D, SER220C, SER220D, THR132C, THR132D, THR163C, THR163D, TRP139C, TRP139D, TRP377C, TRP377D, TYR104C, TYR104D, TYR373C, TYR373D, VAL107C, VAL107D, VAL136C, VAL136D, VAL152C, VAL152D