3MPJ

structure of the glutaryl-coenzyme a dehydrogenase

• Total interactions analyzed: 21
• Total true interactions: 10
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 190
  • Norm. En. per Res.: -3.9696
• Hub Node: D(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	-65.5397	-9.673	-462.769	-537.9816	172	18	28	20329	6	31	39
A-D	0.0	0.0	-0.0685	-0.0685	3	0	0	30	0	2	1
B-D	-4.4346	13.6808	-4.4627	4.7835	26	0	0	293	1	26	25
B-Y	-8.4361	-9.9267	-113.125	-131.4878	43	6	0	4462	3	36	25
D-E	-139.8744	2.2661	-590.002	-727.6103	189	19	7	19728	8	37	32
D-F	0.0	12.2607	-76.6372	-64.3765	26	10	0	2154	0	4	2
D-G	-52.9812	-1.253	-482.892	-537.1262	171	21	30	20468	5	31	39
E-F	-84.07	-13.8229	-465.488	-563.3808	173	21	30	20642	6	31	39
E-G	0.0	12.2253	-74.6976	-62.4723	24	14	0	2137	0	4	3
F-G	-161.6666	6.5822	-599.142	-754.2264	190	21	7	19864	8	38	33

Interface residues

• A-B: ALA264A, ALA264B, ALA289A, ALA289B, ALA292A, ALA292B, ALA297A, ALA297B, ALA298A, ALA298B, ALA302A, ALA302B, ALA305A, ALA305B, ALA306A, ALA306B, ALA307A, ALA307B, ALA308A, ALA308B, ALA321A, ALA321B, ALA323A, ALA323B, ALA326A, ALA326B, ALA327A, ALA327B, ALA370A, ALA370B, ALA378A, ALA378B, ARG299A, ARG299B, ARG313A, ARG313B, ASN269A, ASN269B, ASN284A, ASN284B, ASN371A, ASN371B, ASN4A, ASN4B, ASP262A, ASP262B, ASP280A, ASP280B, ASP286A, ASP286B, ASP2A, ASP2B, ASP310A, ASP310B, ASP319A, ASP319B, ASP380A, ASP380B, CYS268A, CYS268B, CYS373A, CYS373B, GLN10A, GLN13A, GLN13B, GLN258A, GLN258B, GLN282A, GLN282B, GLN285A, GLN285B, GLN290A, GLN290B, GLN381A, GLN381B, GLN67A, GLN67B, GLU270A, GLU270B, GLU294A, GLU294B, GLU296A, GLU296B, GLU311A, GLU311B, GLU329A, GLU329B, GLY279A, GLY279B, GLY383A, GLY383B, ILE265A, ILE265B, ILE278A, ILE278B, ILE288A, ILE288B, ILE341A, ILE341B, ILE372A, ILE372B, ILE376A, ILE376B, ILE377A, ILE377B, ILE74A, ILE74B, LEU261A, LEU261B, LEU300A, LEU300B, LEU301A, LEU301B, LEU318A, LEU318B, LEU379A, LEU379B, LEU382A, LEU382B, LEU5A, LEU5B, LEU70A, LEU70B, LEU9A, LEU9B, LYS266A, LYS266B, LYS304A, LYS304B, LYS324A, LYS324B, LYS333A, LYS333B, LYS374A, LYS374B, LYS386A, LYS386B, MET1A, MET1B, MET283A, MET283B, MET287A, MET287B, MET291A, MET291B, MET322A, MET322B, MET375A, MET375B, MET73A, PHE281A, PHE281B, PHE3A, PHE3B, PRO277A, PRO277B, SER6A, SER6B, TYR267A, TYR267B, TYR303A, TYR303B, TYR325A, TYR325B, TYR337A, TYR337B, VAL293A, VAL293B, VAL295A, VAL295B, VAL384A, VAL384B
• A-D: GLN30D, LYS7A, PHE27D
• B-D: ARG236B, ARG44D, ASP66B, GLU107B, GLU121D, GLU311B, GLU40D, GLU41D, GLU48D, GLU58B, GLU58D, GLU59B, GLU8D, GLY391B, HIS392B, HIS393B, LYS110B, LYS111D, LYS116D, LYS22D, LYS230B, LYS23D, LYS390B, MET11D, PRO45D, SER106B
• B-Y: ALA120B, ALA163B, ALA164B, ALA166B, ALA209B, ARG192B, ARG44B, ASN162B, ASN193B, ASN201B, ASN35B, ASP167B, GLN165B, GLU121B, GLU190B, GLU34B, GLU40B, GLU41B, GLY124B, GLY42Y, HIS208B, HIS36B, HIS43Y, HIS44Y, HIS45Y, HIS46Y, HIS47Y, HIS48Y, LEU123B, LYS116B, LYS41Y, PHE122B, PHE37B, PRO191B, PRO211B, PRO38B, SER210B, THR199B, THR212B, TRP31B, TYR39B, VAL168B, VAL43B
• D-E: ALA133D, ALA133E, ALA139D, ALA139E, ALA330D, ALA330E, ALA335D, ALA335E, ALA338D, ALA338E, ALA344D, ALA344E, ALA354D, ALA354E, ALA360D, ALA360E, ALA370D, ALA370E, ALA378D, ALA378E, ALA85D, ALA85E, ARG271D, ARG271E, ARG272D, ARG272E, ARG340D, ARG340E, ARG355D, ARG355E, ARG358D, ARG358E, ASN284D, ASN284E, ASN336D, ASN336E, ASN33D, ASN33E, ASN35D, ASN35E, ASN371D, ASN371E, ASP132D, ASP132E, ASP136D, ASP136E, ASP286D, ASP286E, ASP32E, ASP359D, ASP359E, CYS373D, CYS373E, GLN273D, GLN273E, GLN282D, GLN282E, GLN285D, GLN285E, GLN290D, GLU130D, GLU130E, GLU203D, GLU203E, GLU214D, GLU214E, GLU329D, GLU329E, GLU350D, GLU350E, GLU367D, GLU367E, GLY134D, GLY134E, GLY206D, GLY206E, GLY275D, GLY275E, GLY328D, GLY328E, GLY343D, GLY343E, GLY346D, GLY346E, HIS208D, HIS208E, ILE278D, ILE278E, ILE341D, ILE341E, ILE372D, ILE372E, ILE376D, ILE376E, ILE377D, ILE377E, LEU202D, LEU202E, LEU205D, LEU205E, LEU256D, LEU342D, LEU342E, LEU379D, LEU379E, LYS204D, LYS204E, LYS276D, LYS276E, LYS333D, LYS333E, LYS374D, LYS374E, MET138D, MET138E, MET283D, MET283E, MET287D, MET287E, MET339D, MET339E, MET365D, MET365E, MET375D, MET375E, PHE239D, PHE239E, PHE274D, PHE274E, PHE281D, PHE281E, PHE356D, PHE356E, PRO131D, PRO131E, PRO361D, PRO361E, SER135D, SER135E, SER207D, SER207E, SER210D, SER210E, SER332D, SER332E, SER348D, SER348E, SER369D, SER369E, SER84D, SER84E, THR129D, THR129E, THR158D, THR158E, THR212D, THR212E, THR349D, THR349E, THR362D, THR362E, TRP159D, TRP159E, TYR267D, TYR267E, TYR325D, TYR325E, TYR337D, TYR337E, TYR345D, TYR345E, TYR347D, TYR347E, TYR351D, TYR351E, TYR357D, TYR357E, TYR363D, TYR363E, TYR364D, TYR364E, VAL137D, VAL137E, VAL331D, VAL331E, VAL353D, VAL353E, VAL366D, VAL366E
• D-F: ALA289D, ALA289F, ASN284D, ASN284F, ASP280D, ASP280F, ASP286D, ASP286F, GLN282D, GLN282F, GLN285D, GLN285F, GLN290D, GLN290F, ILE278D, ILE278F, ILE288D, ILE288F, MET283D, MET283F, MET287D, MET287F, PHE281D, PHE281F, TYR337D, TYR337F
• D-G: ALA264D, ALA264G, ALA289D, ALA289G, ALA292D, ALA292G, ALA297D, ALA297G, ALA298D, ALA298G, ALA302D, ALA302G, ALA305D, ALA305G, ALA306D, ALA306G, ALA307D, ALA307G, ALA308D, ALA308G, ALA321D, ALA321G, ALA323D, ALA323G, ALA326D, ALA326G, ALA327D, ALA327G, ALA370D, ALA370G, ALA378D, ALA378G, ARG299D, ARG299G, ARG313D, ARG313G, ASN269D, ASN269G, ASN284D, ASN284G, ASN371D, ASN371G, ASN4D, ASN4G, ASP262D, ASP262G, ASP280D, ASP280G, ASP286D, ASP286G, ASP2D, ASP2G, ASP310D, ASP310G, ASP319D, ASP319G, ASP380D, ASP380G, CYS268D, CYS268G, CYS373D, CYS373G, GLN10G, GLN13D, GLN13G, GLN258D, GLN258G, GLN282D, GLN282G, GLN285D, GLN285G, GLN290D, GLN290G, GLN381D, GLN381G, GLN67D, GLN67G, GLU270D, GLU270G, GLU294D, GLU294G, GLU296D, GLU296G, GLU311D, GLU311G, GLU329D, GLU329G, GLY279D, GLY279G, GLY383D, GLY383G, ILE265D, ILE265G, ILE278D, ILE278G, ILE288D, ILE288G, ILE341D, ILE341G, ILE372D, ILE372G, ILE376D, ILE376G, ILE377D, ILE377G, ILE74D, ILE74G, LEU261D, LEU261G, LEU300D, LEU300G, LEU301D, LEU301G, LEU318D, LEU318G, LEU379D, LEU379G, LEU382D, LEU382G, LEU5D, LEU5G, LEU70D, LEU70G, LEU9D, LEU9G, LYS266D, LYS266G, LYS304D, LYS304G, LYS324D, LYS333D, LYS333G, LYS374D, LYS374G, LYS386D, LYS386G, MET1D, MET1G, MET283D, MET283G, MET287D, MET287G, MET291D, MET291G, MET322D, MET322G, MET375D, MET375G, MET73D, PHE281D, PHE281G, PHE3D, PHE3G, PRO277D, PRO277G, SER6D, SER6G, TYR267D, TYR267G, TYR303D, TYR303G, TYR325D, TYR325G, TYR337D, TYR337G, VAL293D, VAL293G, VAL295D, VAL295G, VAL384D, VAL384G
• E-F: ALA264E, ALA264F, ALA289E, ALA289F, ALA292E, ALA292F, ALA297E, ALA297F, ALA298E, ALA298F, ALA302E, ALA302F, ALA305E, ALA305F, ALA306E, ALA306F, ALA307E, ALA307F, ALA308E, ALA308F, ALA321E, ALA321F, ALA323E, ALA323F, ALA326E, ALA326F, ALA327E, ALA327F, ALA370E, ALA370F, ALA378E, ALA378F, ARG299E, ARG299F, ARG313E, ARG313F, ARG385E, ASN269E, ASN269F, ASN284E, ASN284F, ASN371E, ASN371F, ASN4E, ASN4F, ASP262E, ASP262F, ASP280E, ASP280F, ASP286E, ASP286F, ASP2E, ASP2F, ASP310E, ASP310F, ASP319E, ASP319F, ASP380E, ASP380F, CYS268E, CYS268F, CYS373E, CYS373F, GLN10F, GLN13E, GLN13F, GLN258E, GLN258F, GLN282E, GLN282F, GLN285E, GLN285F, GLN290E, GLN290F, GLN381E, GLN381F, GLN67E, GLN67F, GLU270E, GLU270F, GLU294E, GLU294F, GLU296E, GLU296F, GLU311E, GLU311F, GLU329E, GLU329F, GLY279E, GLY279F, GLY383E, GLY383F, ILE265E, ILE265F, ILE278E, ILE278F, ILE288E, ILE288F, ILE341E, ILE341F, ILE372E, ILE372F, ILE376E, ILE376F, ILE377E, ILE377F, ILE74E, ILE74F, LEU261E, LEU261F, LEU300E, LEU300F, LEU301E, LEU301F, LEU318E, LEU318F, LEU379E, LEU379F, LEU382E, LEU382F, LEU5E, LEU5F, LEU70E, LEU70F, LEU9E, LEU9F, LYS266E, LYS266F, LYS304E, LYS304F, LYS324E, LYS324F, LYS333E, LYS333F, LYS374E, LYS374F, LYS386E, LYS386F, MET1E, MET1F, MET283E, MET283F, MET287E, MET287F, MET291E, MET291F, MET322E, MET322F, MET375E, MET375F, MET73E, PHE281E, PHE281F, PHE3E, PHE3F, PRO277E, PRO277F, SER6E, SER6F, TYR267E, TYR267F, TYR303E, TYR303F, TYR325E, TYR325F, TYR337E, TYR337F, VAL293E, VAL293F, VAL295E, VAL295F, VAL384E, VAL384F
• E-G: ALA289E, ALA289G, ASN284E, ASN284G, ASP280E, ASP280G, ASP286E, ASP286G, GLN282E, GLN282G, GLN285E, GLN285G, GLN290E, GLN290G, ILE278E, ILE278G, ILE288E, ILE288G, MET283E, MET283G, MET287E, MET287G, PHE281E, PHE281G
• F-G: ALA133F, ALA133G, ALA139F, ALA139G, ALA330F, ALA330G, ALA335F, ALA335G, ALA338F, ALA338G, ALA344F, ALA344G, ALA354F, ALA354G, ALA360F, ALA360G, ALA370F, ALA370G, ALA378F, ALA378G, ALA85G, ARG271F, ARG271G, ARG272F, ARG272G, ARG340F, ARG340G, ARG355F, ARG355G, ARG358F, ARG358G, ASN201G, ASN284F, ASN284G, ASN336F, ASN336G, ASN33F, ASN33G, ASN35F, ASN35G, ASN371F, ASN371G, ASP132F, ASP132G, ASP136F, ASP136G, ASP286F, ASP286G, ASP32G, ASP359F, ASP359G, CYS373F, CYS373G, GLN273F, GLN273G, GLN282F, GLN282G, GLN285F, GLN285G, GLN290G, GLU130F, GLU130G, GLU203F, GLU203G, GLU214F, GLU214G, GLU329F, GLU329G, GLU350F, GLU350G, GLU367F, GLU367G, GLY134F, GLY134G, GLY206F, GLY206G, GLY275F, GLY275G, GLY328F, GLY328G, GLY343F, GLY343G, GLY346F, GLY346G, HIS208F, HIS208G, ILE278F, ILE278G, ILE341F, ILE341G, ILE372F, ILE372G, ILE376F, ILE376G, ILE377F, ILE377G, LEU202F, LEU202G, LEU205F, LEU205G, LEU256F, LEU256G, LEU342F, LEU342G, LEU379F, LEU379G, LYS204F, LYS204G, LYS276F, LYS276G, LYS333F, LYS333G, LYS374F, LYS374G, MET138F, MET138G, MET283F, MET283G, MET287F, MET287G, MET339F, MET339G, MET365F, MET365G, MET375F, MET375G, PHE239F, PHE239G, PHE274F, PHE274G, PHE281F, PHE281G, PHE356F, PHE356G, PRO131F, PRO131G, PRO361F, PRO361G, SER135F, SER135G, SER207F, SER207G, SER210F, SER210G, SER332F, SER332G, SER348F, SER348G, SER369F, SER369G, SER84F, SER84G, THR129F, THR129G, THR158F, THR158G, THR212F, THR212G, THR349F, THR349G, THR362F, THR362G, TRP159F, TRP159G, TYR267F, TYR267G, TYR325F, TYR325G, TYR337F, TYR337G, TYR345F, TYR345G, TYR347F, TYR347G, TYR351F, TYR351G, TYR357F, TYR357G, TYR363F, TYR363G, TYR364F, TYR364G, VAL137F, VAL137G, VAL331F, VAL331G, VAL353F, VAL353G, VAL366F, VAL366G