4A0S

structure of the 2-octenoyl-coa carboxylase reductase cinf in complex with nadp and 2-octenoyl-coa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 125
  • Norm. En. per Res.: -6.2409
• 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	-84.7791	-248.7101	-442.298	-775.7871	126	28	0	15880	12	74	79
A-C	-12.1336	35.4582	-163.199	-139.8745	82	15	0	6484	0	30	29
A-D	-160.4803	4.5954	-631.357	-787.2419	174	35	5	21193	0	54	62
B-C	-160.2708	4.1009	-616.638	-772.808	172	33	5	21363	0	54	62
B-D	-10.9142	37.3043	-164.472	-138.0819	81	14	0	6501	0	30	29
C-D	-102.2983	-265.7474	-412.073	-780.1187	125	25	0	15436	13	74	79

Interface residues

• A-B: ALA103A, ALA103B, ALA142A, ALA142B, ALA150A, ALA150B, ALA181A, ALA181B, ALA363A, ALA363B, ALA370A, ALA370B, ALA61A, ALA61B, ARG105A, ARG105B, ARG129A, ARG129B, ARG130A, ARG130B, ARG162A, ARG162B, ARG180A, ARG180B, ARG208A, ARG208B, ARG214A, ARG214B, ARG373A, ARG373B, ASN364A, ASN364B, ASN372A, ASN372B, ASP145A, ASP145B, ASP154A, ASP154B, ASP213A, ASP213B, ASP63A, ASP63B, GLN147A, GLN147B, GLN183A, GLN183B, GLN368A, GLN368B, GLN369A, GLN369B, GLN99A, GLN99B, GLU146A, GLU146B, GLU148A, GLU148B, GLU160A, GLU160B, GLU366A, GLU366B, GLU367A, GLU367B, GLU59A, GLU59B, GLU64A, GLU64B, GLY100A, GLY100B, GLY101A, GLY101B, GLY125A, GLY125B, GLY127A, GLY127B, GLY153A, GLY153B, GLY155A, GLY155B, GLY158A, GLY158B, HIS140A, HIS140B, HIS143A, HIS143B, HIS152A, HIS152B, HIS365A, HIS365B, ILE126A, ILE126B, LEU157A, LEU157B, LEU184A, LEU184B, LEU185A, LEU185B, LEU60A, LEU60B, LYS132B, MET156A, MET156B, PRO149A, PRO149B, PRO186A, PRO186B, PRO62A, PRO62B, SER182A, SER182B, SER212B, THR124A, THR124B, THR151A, THR151B, THR159A, THR159B, TRP102A, TRP102B, TRP131A, TRP131B, VAL128A, VAL128B, VAL144A, VAL144B, VAL65A, VAL65B
• A-C: ALA216A, ALA216C, ALA237A, ALA237C, ALA303A, ALA303C, ALA370A, ALA370C, ALA379A, ALA379C, ARG214A, ARG214C, ARG305A, ARG305C, ARG327A, ARG327C, ARG373A, ARG373C, ASN243A, ASN243C, ASP213A, ASP213C, ASP222A, ASP222C, ASP308A, ASP308C, GLN217A, GLN217C, GLN220A, GLN220C, GLN239A, GLN239C, GLN369A, GLN369C, GLU306A, GLU306C, GLU366A, GLU366C, GLU367A, GLU367C, GLU376A, GLU376C, GLY221A, GLY221C, GLY244A, GLY244C, GLY245A, GLY245C, GLY246A, GLY246C, GLY304A, GLY304C, ILE223A, ILE223C, ILE247A, ILE247C, LEU210A, LEU210C, LEU374A, LEU374C, LYS219A, LYS219C, LYS242A, LYS242C, MET218A, MET218C, PHE240A, PHE240C, SER212A, SER212C, SER377A, SER377C, THR371A, THR371C, TYR207A, TYR207C, VAL211A, VAL211C, VAL241A, VAL241C, VAL380A, VAL380C
• A-D: ALA150A, ALA150D, ALA163A, ALA163D, ALA216D, ALA282A, ALA282D, ALA363A, ALA363D, ARG162A, ARG162D, ARG208A, ARG208D, ARG214A, ARG214D, ARG286A, ARG286D, ARG293A, ARG293D, ARG316A, ARG316D, ARG327A, ARG327D, ARG328A, ARG328D, ARG348A, ARG348D, ASN347A, ASN347D, ASN364A, ASN364D, ASN77A, ASN77D, ASP154A, ASP154D, ASP213A, ASP213D, ASP283A, ASP283D, ASP284A, ASP284D, ASP346A, ASP346D, CYS335A, CYS335D, GLN161A, GLN161D, GLN95A, GLN95D, GLU148A, GLU148D, GLU160A, GLU160D, GLU167A, GLU167D, GLU306A, GLU306D, GLU312A, GLU312D, GLU367A, GLU367D, GLU85A, GLU85D, GLY155A, GLY155D, GLY158A, GLY158D, GLY215A, GLY215D, GLY315A, GLY315D, GLY320A, GLY320D, GLY329A, GLY329D, GLY330A, GLY330D, GLY336A, GLY336D, GLY340A, GLY340D, GLY359A, GLY359D, GLY362A, GLY362D, HIS143A, HIS313A, HIS313D, HIS343A, HIS343D, HIS361A, HIS361D, HIS91A, HIS91D, ILE324A, ILE324D, ILE357A, ILE357D, ILE87A, ILE87D, LEU157A, LEU157D, LEU342A, LEU342D, LEU350A, LEU350D, LEU354A, LEU354D, LYS353A, LYS353D, LYS355A, LYS355D, LYS356A, LYS356D, MET156A, MET156D, MET209A, MET209D, MET352A, MET352D, PHE166A, PHE166D, PHE319A, PHE319D, PHE345A, PHE345D, PHE92A, PHE92D, PRO285A, PRO285D, PRO86A, PRO86D, SER337A, SER337D, SER338A, SER338D, SER360A, SER360D, THR151A, THR151D, THR159A, THR159D, THR205A, THR205D, THR314A, THR314D, THR331A, THR331D, THR334A, THR334D, THR344A, THR344D, TRP351A, TRP351D, TRP80A, TRP80D, TYR341A, TYR341D, TYR349A, TYR349D, VAL144A, VAL144D, VAL288A, VAL288D, VAL289A, VAL289D, VAL323A, VAL323D, VAL332A, VAL332D, VAL333A, VAL333D, VAL358A, VAL358D
• B-C: ALA150B, ALA150C, ALA163B, ALA163C, ALA216B, ALA216C, ALA282B, ALA282C, ALA363B, ALA363C, ARG162B, ARG162C, ARG208B, ARG208C, ARG214B, ARG214C, ARG286B, ARG286C, ARG293C, ARG316B, ARG316C, ARG327B, ARG327C, ARG328B, ARG328C, ARG348B, ARG348C, ASN347B, ASN347C, ASN364B, ASN364C, ASN77B, ASN77C, ASP154B, ASP154C, ASP213B, ASP213C, ASP283B, ASP283C, ASP284B, ASP284C, ASP346B, ASP346C, CYS335B, CYS335C, GLN161B, GLN161C, GLN95B, GLN95C, GLU148B, GLU148C, GLU160B, GLU160C, GLU167B, GLU167C, GLU306B, GLU306C, GLU312B, GLU312C, GLU367B, GLU367C, GLU85B, GLU85C, GLY155B, GLY155C, GLY158B, GLY158C, GLY215B, GLY215C, GLY315B, GLY315C, GLY320B, GLY320C, GLY329B, GLY329C, GLY330B, GLY330C, GLY336B, GLY336C, GLY340B, GLY340C, GLY359B, GLY359C, GLY362B, GLY362C, HIS143C, HIS313B, HIS313C, HIS343B, HIS343C, HIS361B, HIS361C, HIS91B, ILE324C, ILE357B, ILE357C, ILE87B, ILE87C, LEU157B, LEU157C, LEU342B, LEU342C, LEU350B, LEU350C, LEU354B, LEU354C, LYS353B, LYS353C, LYS355B, LYS355C, LYS356B, LYS356C, MET156B, MET156C, MET209B, MET209C, MET352B, MET352C, PHE166B, PHE166C, PHE319B, PHE319C, PHE345B, PHE345C, PHE92B, PHE92C, PRO285B, PRO285C, PRO86B, PRO86C, SER337B, SER337C, SER338B, SER338C, SER360B, SER360C, THR151B, THR159B, THR159C, THR205B, THR205C, THR314B, THR314C, THR331B, THR331C, THR334B, THR334C, THR344B, THR344C, TRP351B, TRP351C, TRP80B, TRP80C, TYR341B, TYR341C, TYR349B, TYR349C, TYR76C, VAL144B, VAL144C, VAL288B, VAL288C, VAL289B, VAL289C, VAL323B, VAL323C, VAL332B, VAL332C, VAL333B, VAL333C, VAL358B, VAL358C
• B-D: ALA216B, ALA216D, ALA237B, ALA237D, ALA303B, ALA303D, ALA370B, ALA370D, ALA379B, ALA379D, ARG214B, ARG305B, ARG305D, ARG327B, ARG327D, ARG373B, ARG373D, ASN243B, ASN243D, ASP213B, ASP213D, ASP222B, ASP222D, ASP308B, ASP308D, GLN217B, GLN217D, GLN220B, GLN220D, GLN239B, GLN239D, GLN369B, GLN369D, GLU306B, GLU306D, GLU366B, GLU366D, GLU367B, GLU367D, GLU376B, GLU376D, GLY221B, GLY221D, GLY244B, GLY244D, GLY245B, GLY245D, GLY246B, GLY246D, GLY304B, GLY304D, ILE223B, ILE223D, ILE247B, ILE247D, LEU210B, LEU210D, LEU374B, LEU374D, LYS219B, LYS219D, LYS242B, LYS242D, MET218B, MET218D, PHE240B, PHE240D, SER212B, SER212D, SER377B, SER377D, THR371B, THR371D, TYR207B, TYR207D, VAL211B, VAL211D, VAL241B, VAL241D, VAL380B, VAL380D
• C-D: ALA103C, ALA103D, ALA142C, ALA142D, ALA150C, ALA150D, ALA181C, ALA181D, ALA363C, ALA363D, ALA370C, ALA370D, ALA61C, ALA61D, ARG105C, ARG105D, ARG129C, ARG129D, ARG130C, ARG130D, ARG162C, ARG162D, ARG180C, ARG180D, ARG208C, ARG208D, ARG214C, ARG214D, ARG373C, ARG373D, ASN364C, ASN364D, ASN372C, ASN372D, ASP145C, ASP145D, ASP154C, ASP154D, ASP213C, ASP213D, ASP63C, ASP63D, GLN147C, GLN147D, GLN183C, GLN183D, GLN368C, GLN368D, GLN369C, GLN369D, GLN99C, GLN99D, GLU146C, GLU146D, GLU148C, GLU148D, GLU160C, GLU160D, GLU366C, GLU366D, GLU367C, GLU367D, GLU59C, GLU59D, GLU64C, GLU64D, GLY100C, GLY100D, GLY101C, GLY101D, GLY125C, GLY125D, GLY127C, GLY127D, GLY153C, GLY153D, GLY155C, GLY155D, GLY158C, GLY158D, HIS140C, HIS140D, HIS143C, HIS143D, HIS152C, HIS152D, HIS365C, HIS365D, ILE126C, ILE126D, LEU157C, LEU157D, LEU184C, LEU184D, LEU185C, LEU185D, LEU60C, LEU60D, MET156C, MET156D, PRO149C, PRO149D, PRO186C, PRO186D, PRO62C, PRO62D, SER182C, SER182D, SER212C, THR124C, THR124D, THR151C, THR151D, THR159C, THR159D, TRP102C, TRP102D, TRP131C, TRP131D, VAL128C, VAL128D, VAL144C, VAL144D, VAL65C, VAL65D