3PFD

crystal structure of an acyl-coa dehydrogenase from mycobacterium thermoresistibile bound to reduced flavin adenine dinucleotide solved by combined iodide ion sad mr

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 183
  • Norm. En. per Res.: -4.2763
• 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	-151.5488	-57.0285	-573.991	-782.5683	183	22	6	20109	5	76	58
A-C	-16.9119	0.0	-41.9885	-58.9004	22	5	0	1412	0	0	2
A-D	-32.0627	-30.3339	-366.585	-428.9816	132	4	16	15641	2	35	26
B-C	-37.6361	-31.3994	-372.684	-441.7195	133	3	16	15809	3	36	28
B-D	-22.5257	0.0	-41.9494	-64.4751	22	4	0	1393	0	0	2
C-D	-148.659	-66.8947	-559.468	-775.0217	183	27	6	20076	4	75	60

Interface residues

• A-B: ALA139A, ALA139B, ALA143A, ALA143B, ALA144A, ALA144B, ALA344A, ALA344B, ALA366A, ALA366B, ALA39A, ALA45B, ARG137A, ARG137B, ARG147A, ARG147B, ARG209A, ARG209B, ARG277A, ARG277B, ARG282A, ARG282B, ARG361A, ARG361B, ARG364A, ARG364B, ARG380A, ARG380B, ARG385A, ARG385B, ASN287A, ASN287B, ASN376A, ASN376B, ASP142A, ASP142B, ASP335A, ASP335B, ASP343A, ASP343B, ASP356A, ASP356B, ASP365A, ASP365B, ASP42A, ASP42B, CYS164A, CYS164B, CYS331A, CYS331B, CYS91A, CYS91B, GLN279A, GLN279B, GLN346A, GLN346B, GLN355A, GLN355B, GLN370A, GLN370B, GLN377A, GLN377B, GLN379A, GLN379B, GLU136A, GLU136B, GLU138A, GLU138B, GLU208A, GLU208B, GLU220A, GLU220B, GLU276A, GLU276B, GLU339A, GLU339B, GLU360A, GLU360B, GLU40A, GLU43A, GLU43B, GLY140A, GLY140B, GLY212A, GLY212B, GLY281A, GLY281B, GLY289A, GLY289B, GLY349A, GLY349B, GLY350A, GLY350B, GLY352A, GLY352B, GLY374A, GLY374B, ILE213A, ILE213B, ILE262A, ILE262B, ILE368A, ILE368B, ILE371A, ILE371B, ILE378A, ILE378B, LEU211A, LEU211B, LEU347A, LEU347B, LEU95A, LEU95B, LYS210A, LYS210B, LYS214A, LYS214B, LYS278A, LYS278B, LYS330A, LYS330B, LYS367A, LYS367B, MET293A, MET293B, MET338A, MET338B, MET362A, MET362B, MET363A, MET363B, PHE241A, PHE241B, PHE280A, PHE280B, PHE348A, PHE348B, PHE357A, PHE357B, SER135A, SER135B, SER141A, SER141B, SER145A, SER145B, SER216A, SER216B, SER334A, SER334B, SER92A, SER92B, THR218A, THR218B, THR341A, THR341B, THR342A, THR342B, THR354A, THR354B, THR369A, THR369B, THR375A, THR375B, TRP165A, TRP165B, TYR273A, TYR273B, TYR351A, TYR351B, TYR353A, TYR353B, TYR372A, TYR372B, VAL284A, VAL284B, VAL290A, VAL290B, VAL345A, VAL345B, VAL359A, VAL359B, VAL381A, VAL381B
• A-C: ARG282A, ARG282C, ASN287A, ASN287C, ASP286A, ASP286C, GLN288A, GLN288C, GLN291A, GLN291C, GLY289A, GLY289C, LEU347A, LEU347C, MET293A, MET293C, PHE292A, PHE292C, VAL284A, VAL284C, VAL290A, VAL290C
• A-D: ALA270A, ALA270D, ALA272A, ALA272D, ALA295A, ALA295D, ALA298A, ALA298D, ALA303A, ALA303D, ALA304A, ALA304D, ALA311A, ALA311D, ALA327A, ALA327D, ALA328A, ALA328D, ALA333A, ALA333D, ALA386A, ALA386D, ARG305A, ARG305D, ARG314A, ARG314D, ARG380A, ARG380D, ARG385A, ARG385D, ARG389A, ARG389D, ASN287A, ASN287D, ASN376A, ASN376D, ASP268A, ASP268D, ASP286A, ASP286D, ASP296A, ASP296D, ASP335A, ASP335D, CYS331A, CYS331D, GLN264A, GLN264D, GLN288A, GLN288D, GLN291A, GLN291D, GLN377A, GLN377D, GLN379A, GLN379D, GLU302A, GLU302D, GLY289A, GLY289D, ILE271A, ILE271D, ILE301A, ILE301D, ILE325A, ILE325D, ILE378A, ILE378D, LEU267A, LEU267D, LEU294A, LEU294D, LEU306A, LEU306D, LEU347A, LEU347D, LEU387A, LEU387D, LEU388A, LEU388D, LYS275A, LYS275D, LYS300A, LYS300D, LYS330A, LYS330D, MET293A, MET293D, MET297A, MET297D, MET299A, MET299D, MET307A, MET307D, MET383A, MET383D, PHE292A, PHE292D, PHE324A, PHE324D, PHE332A, PHE332D, PRO283A, PRO283D, SER285A, SER285D, SER310A, SER310D, SER329A, SER329D, SER334A, SER334D, SER384A, SER384D, THR274A, THR274D, THR375A, THR375D, TYR309A, TYR309D, VAL284A, VAL284D, VAL290A, VAL290D, VAL308A, VAL308D, VAL336A, VAL336D, VAL381A, VAL381D, VAL382A, VAL382D
• B-C: ALA270B, ALA270C, ALA272B, ALA272C, ALA295B, ALA295C, ALA298B, ALA298C, ALA303B, ALA303C, ALA304B, ALA304C, ALA311B, ALA311C, ALA327B, ALA327C, ALA328B, ALA328C, ALA333B, ALA333C, ALA386B, ALA386C, ARG23C, ARG305B, ARG305C, ARG314B, ARG314C, ARG380B, ARG380C, ARG385B, ARG385C, ARG389B, ARG389C, ASN287B, ASN287C, ASN376B, ASN376C, ASP268B, ASP268C, ASP286B, ASP286C, ASP296B, ASP296C, ASP335B, ASP335C, CYS331B, CYS331C, GLN264B, GLN264C, GLN288B, GLN288C, GLN291B, GLN291C, GLN377B, GLN377C, GLN379B, GLN379C, GLU276B, GLU276C, GLU302B, GLU302C, GLY289B, GLY289C, ILE271B, ILE271C, ILE301B, ILE301C, ILE325B, ILE325C, ILE378B, ILE378C, LEU267B, LEU267C, LEU294B, LEU294C, LEU306B, LEU306C, LEU347B, LEU347C, LEU387B, LEU387C, LEU388B, LEU388C, LYS275B, LYS275C, LYS300B, LYS300C, LYS330B, LYS330C, MET293B, MET293C, MET297B, MET297C, MET299B, MET299C, MET307B, MET307C, MET383B, MET383C, PHE292B, PHE292C, PHE324B, PHE324C, PHE332B, PHE332C, PRO283B, PRO283C, SER285B, SER285C, SER310B, SER310C, SER329B, SER329C, SER384B, SER384C, THR274B, THR274C, THR375B, THR375C, TYR309B, TYR309C, VAL284B, VAL284C, VAL290B, VAL290C, VAL308B, VAL308C, VAL336B, VAL336C, VAL381B, VAL381C, VAL382B, VAL382C
• B-D: ARG282B, ARG282D, ASN287B, ASN287D, ASP286B, ASP286D, GLN288B, GLN288D, GLN291B, GLN291D, GLY289B, GLY289D, LEU347B, LEU347D, MET293B, MET293D, PHE292B, PHE292D, VAL284B, VAL284D, VAL290B, VAL290D
• C-D: ALA139C, ALA139D, ALA143C, ALA143D, ALA144C, ALA144D, ALA344C, ALA344D, ALA366C, ALA366D, ALA39C, ALA39D, ALA45C, ALA45D, ARG137C, ARG137D, ARG147C, ARG147D, ARG209C, ARG209D, ARG277C, ARG277D, ARG282C, ARG282D, ARG361C, ARG361D, ARG364C, ARG364D, ARG380C, ARG380D, ARG385C, ARG385D, ASN287C, ASN287D, ASN376C, ASN376D, ASP142C, ASP142D, ASP335C, ASP335D, ASP343C, ASP343D, ASP356C, ASP356D, ASP365C, ASP365D, ASP42C, ASP42D, CYS164C, CYS164D, CYS331C, CYS331D, CYS91C, CYS91D, GLN279C, GLN279D, GLN346C, GLN346D, GLN355C, GLN355D, GLN370C, GLN370D, GLN377C, GLN377D, GLN379C, GLN379D, GLU136C, GLU136D, GLU138C, GLU138D, GLU208C, GLU208D, GLU220D, GLU276D, GLU339C, GLU339D, GLU360C, GLU360D, GLU40C, GLU40D, GLU43C, GLU43D, GLY140C, GLY140D, GLY212C, GLY212D, GLY281C, GLY281D, GLY289C, GLY289D, GLY349C, GLY349D, GLY350C, GLY350D, GLY352C, GLY352D, GLY374C, GLY374D, ILE213C, ILE213D, ILE262C, ILE368C, ILE368D, ILE371C, ILE371D, ILE378C, ILE378D, LEU211C, LEU211D, LEU347C, LEU347D, LEU95C, LEU95D, LYS210C, LYS210D, LYS214C, LYS214D, LYS278C, LYS278D, LYS330C, LYS330D, LYS367C, LYS367D, LYS44C, LYS44D, MET293C, MET293D, MET338C, MET338D, MET362C, MET363C, MET363D, PHE241C, PHE241D, PHE280C, PHE280D, PHE348C, PHE348D, PHE357C, PHE357D, SER135C, SER135D, SER141C, SER141D, SER145C, SER145D, SER216C, SER216D, SER334C, SER334D, SER92D, THR218C, THR218D, THR341C, THR341D, THR342C, THR342D, THR354C, THR354D, THR369C, THR369D, THR375C, THR375D, TRP165C, TRP165D, TYR273C, TYR273D, TYR351C, TYR351D, TYR353C, TYR353D, TYR372C, TYR372D, VAL284C, VAL284D, VAL290C, VAL290D, VAL345C, VAL345D, VAL359C, VAL359D, VAL381C, VAL381D