1RX0

crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 23
  • Norm. En. per Res.: -4.1588
• 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	-29.0163	-106.3138	-540.626	-675.9561	164	19	16	21891	6	24	30
A-C	-151.5927	17.8213	-521.692	-655.4634	172	20	6	18651	3	48	38
A-D	-20.7563	0.0	-74.8968	-95.6531	23	3	3	2180	0	0	1
B-C	-20.1604	0.0	-75.3441	-95.5045	23	4	3	2192	0	0	1
B-D	-172.1061	3.681	-528.081	-696.5061	168	26	6	18727	4	48	38
C-D	-18.1549	-48.0195	-497.568	-563.7424	161	27	18	20898	7	24	30

Interface residues

• A-B: ALA288A, ALA288B, ALA298A, ALA298B, ALA301A, ALA301B, ALA306A, ALA306B, ALA307A, ALA307B, ALA314A, ALA314B, ALA317A, ALA317B, ALA325A, ALA325B, ALA327A, ALA327B, ALA332A, ALA332B, ALA336A, ALA336B, ARG274A, ARG274B, ARG303A, ARG303B, ARG308A, ARG308B, ARG312A, ARG312B, ARG322A, ARG322B, ARG383A, ARG383B, ARG388A, ARG388B, ASN278A, ASN278B, ASN290A, ASN290B, ASN313A, ASN313B, ASN379A, ASN379B, ASP14A, ASP14B, ASP275A, ASP275B, ASP299A, ASP299B, ASP324A, ASP324B, ASP338A, ASP338B, CYS12A, CYS12B, GLN291A, GLN291B, GLN294A, GLN294B, GLN392A, GLN392B, GLU320A, GLU320B, GLU339A, GLU339B, GLU380A, GLU380B, GLU393A, GLU393B, GLY18A, GLY18B, HIS267A, HIS267B, HIS276A, HIS276B, ILE13A, ILE13B, ILE271A, ILE271B, ILE384A, ILE384B, ILE386A, ILE386B, LEU277A, LEU277B, LEU287A, LEU287B, LEU293A, LEU293B, LEU297A, LEU297B, LEU304A, LEU304B, LEU309A, LEU309B, LEU328A, LEU328B, LEU334A, LEU334B, LEU385A, LEU385B, LEU390A, LEU390B, LEU391A, LEU391B, LYS24B, LYS323A, LYS323B, LYS333A, LYS333B, MET17A, MET17B, MET300A, MET300B, MET310A, MET310B, MET331A, MET331B, MET382A, MET382B, PHE295A, PHE295B, PHE335A, PHE335B, PRO286A, PRO286B, SER11A, SER11B, SER16A, SER289A, SER289B, SER330A, SER330B, SER378A, SER378B, SER387A, SER387B, SER389A, SER389B, THR10A, THR10B, THR273A, THR273B, THR296A, THR296B, THR302A, THR302B, TYR292A, TYR292B, VAL270A, VAL270B, VAL279A, VAL279B, VAL305A, VAL305B, VAL311A, VAL311B, VAL316A, VAL316B, VAL326A, VAL326B, VAL381A, VAL381B
• A-C: ALA147A, ALA147C, ALA148A, ALA148C, ALA168A, ALA168C, ALA342A, ALA342C, ALA347A, ALA347C, ALA43A, ALA43C, ARG222A, ARG280A, ARG280C, ARG367A, ARG367C, ARG370A, ARG370C, ARG383A, ARG383C, ARG388A, ARG388C, ASN217A, ASN217C, ASN290A, ASN290C, ASN345A, ASN345C, ASN379A, ASN379C, ASP146A, ASP146C, ASP338A, ASP338C, ASP359A, ASP359C, ASP368A, ASP368C, ASP46A, ASP46C, CYS344A, CYS344C, GLN219A, GLN219C, GLN282A, GLN282C, GLN346A, GLN346C, GLN349A, GLN349C, GLN363A, GLN363C, GLN364A, GLN364C, GLN373A, GLN373C, GLN47A, GLN47C, GLU140A, GLU140C, GLU211A, GLU211C, GLU285A, GLU285C, GLU380A, GLU380C, GLU49A, GLU49C, GLY142A, GLY142C, GLY144A, GLY144C, GLY215A, GLY215C, GLY284A, GLY284C, GLY352A, GLY352C, GLY353A, GLY353C, GLY355A, GLY355C, GLY377A, GLY377C, HIS351A, HIS351C, HIS372A, HIS372C, ILE374A, ILE374C, ILE384A, ILE384C, LEU287A, LEU287C, LEU293A, LEU293C, LEU334A, LEU334C, LEU348A, LEU348C, LEU357A, LEU357C, LEU375A, LEU375C, LYS209A, LYS209C, LYS210A, LYS210C, LYS212A, LYS212C, LYS213A, LYS213C, LYS281A, LYS281C, LYS333A, LYS333C, LYS358A, LYS358C, MET350A, MET350C, PHE169A, PHE169C, PHE244A, PHE244C, PHE283A, PHE283C, PHE341A, PHE341C, PRO141A, PRO141C, SER143A, SER143C, SER145A, SER145C, SER149A, SER149C, SER369A, SER369C, SER378A, SER378C, SER96A, SER96C, THR139A, THR139C, THR221A, THR221C, THR296A, THR296C, THR337A, THR337C, THR95A, TRP216A, TRP216C, TYR292A, TYR292C, TYR354A, TYR354C, TYR356A, TYR356C, TYR360A, TYR360C, VAL214A, VAL214C, VAL362A, VAL362C, VAL366A, VAL366C, VAL371A, VAL371C, VAL381A, VAL381C
• A-D: ASN290A, ASN290D, ASP299A, ASP299D, GLN291A, GLN291D, GLN294A, GLN294D, LEU287A, LEU287D, LEU293A, LEU293D, MET350D, PHE283A, PHE283D, PHE295A, PHE295D, SER289A, SER289D, THR296A, THR296D, TYR292A, TYR292D
• B-C: ASN290B, ASN290C, ASP299B, ASP299C, GLN291B, GLN291C, GLN294B, GLN294C, LEU287B, LEU287C, LEU293B, LEU293C, MET350B, PHE283B, PHE283C, PHE295B, PHE295C, SER289B, SER289C, THR296B, THR296C, TYR292B, TYR292C
• B-D: ALA147B, ALA147D, ALA148B, ALA148D, ALA168B, ALA168D, ALA342B, ALA342D, ALA347B, ALA347D, ALA43B, ALA43D, ARG280B, ARG280D, ARG367B, ARG367D, ARG370B, ARG370D, ARG383B, ARG383D, ARG388B, ARG388D, ASN217B, ASN217D, ASN290B, ASN290D, ASN345B, ASN345D, ASN379B, ASN379D, ASP146B, ASP146D, ASP338B, ASP338D, ASP359B, ASP359D, ASP368B, ASP368D, ASP46B, ASP46D, CYS344B, CYS344D, GLN219B, GLN219D, GLN282B, GLN282D, GLN346B, GLN346D, GLN349B, GLN349D, GLN363B, GLN363D, GLN364B, GLN364D, GLN373B, GLN373D, GLN47B, GLN47D, GLU140B, GLU140D, GLU211B, GLU211D, GLU285B, GLU285D, GLU380B, GLU380D, GLU49B, GLU49D, GLY142B, GLY142D, GLY144B, GLY144D, GLY215B, GLY215D, GLY284B, GLY284D, GLY352B, GLY352D, GLY353B, GLY353D, GLY355B, GLY355D, GLY377B, GLY377D, HIS351B, HIS351D, HIS372B, HIS372D, ILE374B, ILE374D, ILE384B, ILE384D, LEU287B, LEU287D, LEU293B, LEU293D, LEU334B, LEU334D, LEU348B, LEU348D, LEU357B, LEU357D, LEU375B, LEU375D, LEU385B, LYS209B, LYS209D, LYS210B, LYS210D, LYS212B, LYS212D, LYS213B, LYS213D, LYS281B, LYS281D, LYS333B, LYS333D, LYS358B, LYS358D, MET350B, MET350D, PHE169B, PHE169D, PHE244D, PHE283B, PHE283D, PHE341B, PHE341D, PRO141B, PRO141D, SER143B, SER143D, SER145B, SER145D, SER149B, SER149D, SER369B, SER369D, SER378B, SER378D, SER96B, SER96D, THR139B, THR139D, THR221B, THR221D, THR296B, THR296D, TRP216B, TRP216D, TYR292B, TYR292D, TYR354B, TYR354D, TYR356B, TYR356D, TYR360B, TYR360D, VAL214B, VAL214D, VAL362B, VAL362D, VAL366B, VAL366D, VAL371B, VAL371D, VAL381B, VAL381D
• C-D: ALA288C, ALA288D, ALA298C, ALA298D, ALA301C, ALA301D, ALA306C, ALA306D, ALA307C, ALA307D, ALA314C, ALA314D, ALA317C, ALA317D, ALA325C, ALA325D, ALA327C, ALA327D, ALA332C, ALA332D, ALA336C, ALA336D, ARG274C, ARG274D, ARG303C, ARG303D, ARG308C, ARG308D, ARG312C, ARG312D, ARG322C, ARG322D, ARG383C, ARG383D, ARG388C, ARG388D, ASN278C, ASN278D, ASN290C, ASN290D, ASN313C, ASN313D, ASN379C, ASN379D, ASP14C, ASP14D, ASP275C, ASP275D, ASP299C, ASP299D, ASP324C, ASP324D, ASP338C, ASP338D, CYS12C, CYS12D, GLN291C, GLN291D, GLN294C, GLN294D, GLN392C, GLN392D, GLU320C, GLU320D, GLU339C, GLU339D, GLU380C, GLU380D, GLU393C, GLU393D, GLY18C, GLY18D, HIS276C, ILE13C, ILE13D, ILE271C, ILE271D, ILE384C, ILE384D, ILE386C, ILE386D, LEU277C, LEU277D, LEU287C, LEU287D, LEU293C, LEU293D, LEU297C, LEU297D, LEU304C, LEU304D, LEU309C, LEU309D, LEU328C, LEU328D, LEU334C, LEU334D, LEU385C, LEU385D, LEU390C, LEU390D, LEU391C, LEU391D, LYS24C, LYS24D, LYS323C, LYS323D, LYS333C, LYS333D, MET17C, MET17D, MET300C, MET300D, MET310C, MET310D, MET331C, MET331D, MET350C, MET382C, MET382D, PHE295C, PHE295D, PHE335C, PHE335D, PRO286C, PRO286D, SER11C, SER11D, SER289C, SER289D, SER330C, SER330D, SER378C, SER378D, SER387C, SER387D, SER389C, SER389D, THR10D, THR273C, THR273D, THR296C, THR296D, THR302C, THR302D, TYR292C, TYR292D, VAL270C, VAL270D, VAL279C, VAL279D, VAL305C, VAL305D, VAL311C, VAL311D, VAL316C, VAL316D, VAL326C, VAL326D, VAL381C, VAL381D