1UMD

branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methyl-2-oxopentanoate as an intermediate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 191
  • Norm. En. per Res.: -4.2197
• 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	-49.7103	12.3771	-598.308	-635.6411	175	15	11	20873	3	32	37
A-C	-40.7066	-2.8923	-277.337	-320.9359	93	10	2	9992	0	10	17
A-D	-59.4197	14.891	-411.344	-455.8727	163	15	8	16445	1	56	65
B-C	-69.4112	23.3989	-410.063	-456.0753	163	17	8	16379	1	57	65
B-D	-52.781	-116.8273	-636.346	-805.9544	191	17	22	22025	12	67	51
C-D	-67.3271	-44.7456	-599.579	-711.6518	177	19	11	20871	4	32	37

Interface residues

• A-B: ALA111B, ALA136A, ALA141B, ALA143A, ALA147A, ALA153A, ALA154A, ALA156A, ALA157A, ALA169A, ALA185A, ALA190A, ALA191A, ALA195A, ALA350A, ALA61B, ALA62B, ALA66B, ALA67B, ALA71B, ALA72B, ALA99B, ARG102B, ARG104B, ARG126A, ARG164A, ARG23B, ARG358A, ARG52B, ARG76B, ASN123A, ASN138A, ASN188A, ASP121A, ASP164B, ASP166B, ASP182A, ASP243B, ASP280B, ASP347A, ASP51B, ASP55B, ASP89A, ASP92B, GLN108B, GLN114A, GLN127A, GLN167A, GLN193A, GLN359A, GLN93B, GLN97B, GLU110A, GLU165B, GLU180A, GLU245B, GLU272B, GLU279B, GLU342A, GLU346A, GLU351A, GLU60B, GLY106B, GLY107B, GLY125A, GLY133A, GLY142B, GLY155A, GLY166A, GLY181A, GLY186A, GLY194B, GLY28B, GLY65B, GLY69B, GLY74B, GLY90B, HIS131A, HIS149A, HIS355A, HIS73B, ILE146A, ILE158A, ILE187A, ILE63B, LEU101B, LEU137A, LEU143B, LEU162A, LEU163A, LEU239B, LEU27B, LEU356A, LEU58B, LEU68B, LEU75B, LEU94B, LYS100B, LYS124A, LYS135A, LYS144B, LYS161A, LYS195B, LYS352A, MET128A, MET160A, MET240B, MET248B, MET344A, MET54B, MET70B, PHE109B, PHE137B, PHE139A, PHE140A, PHE189A, PHE269B, PHE345A, PHE349A, PHE88A, PHE91B, PHE92A, PRO122A, PRO132A, PRO145A, PRO151A, PRO152A, PRO167B, PRO22B, PRO241B, PRO353A, PRO50B, PRO57B, PRO77B, PRO89B, PRO93A, SER105B, SER134A, SER144A, SER148A, SER159A, SER59B, SER96B, THR110B, THR140B, THR141A, THR165A, THR276B, THR56B, TRP183A, TRP242B, TRP343A, TRP354A, TRP90A, TYR103B, TYR184A, TYR244B, VAL138B, VAL142A, VAL145B, VAL150A, VAL168A, VAL168B, VAL169B, VAL192A, VAL24B, VAL25B, VAL26B, VAL273B, VAL348A, VAL53B, VAL64B, VAL91A, VAL95B, VAL98B
• A-C: ALA177A, ALA177C, ALA185A, ALA185C, ALA190A, ALA190C, ALA191A, ALA191C, ALA222A, ALA222C, ALA225A, ALA225C, ALA227A, ALA227C, ARG213A, ARG213C, ASN188A, ASN188C, ASP175A, ASP175C, ASP182A, ASP182C, ASP211A, ASP211C, ASP223A, ASP223C, GLN193A, GLN193C, GLN215A, GLN215C, GLU180A, GLU180C, GLU258A, GLU258C, GLY176A, GLY176C, GLY181A, GLY181C, GLY186A, GLY186C, GLY194A, GLY194C, GLY229A, GLY229C, GLY259A, GLY259C, HIS214A, HIS214C, HIS217A, HIS217C, HIS226A, HIS226C, ILE187A, ILE187C, ILE221A, ILE221C, ILE230A, ILE230C, LEU262A, LYS224A, LYS224C, PHE11A, PHE11C, PHE189A, PHE189C, PHE228A, PHE228C, PRO219A, PRO219C, PRO231A, PRO231C, PRO260A, PRO260C, SER179A, SER179C, SER218A, SER218C, THR178A, THR178C, THR216A, THR216C, THR220A, THR220C, TRP183A, TRP183C, TYR184A, TYR184C, TYR212A, TYR212C, VAL192A, VAL192C, VAL210A, VAL210C
• A-D: ALA117A, ALA143A, ALA147A, ALA177A, ALA207A, ALA276A, ALA302D, ALA317D, ALA61D, ALA62D, ARG124D, ARG126A, ARG213A, ARG265D, ARG281A, ARG283A, ARG291D, ARG313D, ARG320D, ARG34D, ARG358A, ASN123A, ASN316D, ASP121A, ASP175A, ASP182A, ASP211A, ASP277A, ASP278A, ASP279A, ASP296D, ASP304D, ASP30D, ASP347A, ASP55D, ASP85D, GLN114A, GLN127A, GLN131D, GLN215A, GLN303D, GLN359A, GLN82D, GLU180A, GLU29D, GLU342A, GLU346A, GLU360A, GLU365A, GLU366A, GLU60D, GLY113A, GLY125A, GLY125D, GLY126D, GLY174A, GLY176A, GLY181A, GLY28D, GLY294D, GLY32D, GLY35D, GLY36D, GLY62A, GLY90D, HIS127D, HIS128D, HIS129D, HIS131A, HIS214A, HIS217A, HIS266D, HIS273A, HIS355A, ILE146A, ILE208A, ILE290D, ILE314D, ILE59A, ILE63D, ILE87D, LEU116A, LEU306D, LEU308D, LEU356A, LEU362A, LEU363A, LEU367A, LEU39D, LEU45D, LEU58D, LYS124A, LYS224A, LYS305D, LYS33D, LYS352A, LYS364A, LYS63A, MET115A, MET128A, MET344A, MET54D, PHE295D, PHE345A, PHE349A, PHE38D, PHE66A, PHE83D, PHE88D, PRO129A, PRO145A, PRO264D, PRO272A, PRO284A, PRO298D, PRO300D, PRO309D, PRO338A, PRO340A, PRO341A, PRO353A, PRO50D, PRO57D, PRO89D, SER130D, SER144A, SER148A, SER179A, SER209A, SER274A, SER275A, SER59D, SER65A, THR118A, THR141A, THR178A, THR216A, THR293D, THR297D, THR310D, THR312D, THR56D, THR64A, TRP183A, TRP343A, TRP354A, TYR206A, TYR212A, TYR282A, TYR299D, TYR301D, TYR307D, TYR86D, TYR95A, VAL123D, VAL142A, VAL210A, VAL292D, VAL311D, VAL31D, VAL339A, VAL348A, VAL37D
• B-C: ALA117C, ALA143C, ALA147C, ALA177C, ALA207C, ALA276C, ALA302B, ALA317B, ALA361C, ALA61B, ALA62B, ARG124B, ARG126C, ARG213C, ARG265B, ARG281C, ARG283C, ARG291B, ARG313B, ARG320B, ARG34B, ARG358C, ASN123C, ASN316B, ASP121C, ASP175C, ASP182C, ASP211C, ASP277C, ASP278C, ASP279C, ASP296B, ASP304B, ASP30B, ASP347C, ASP55B, ASP85B, GLN114C, GLN127C, GLN131B, GLN215C, GLN303B, GLN359C, GLN82B, GLU180C, GLU29B, GLU342C, GLU346C, GLU360C, GLU365C, GLU366C, GLU60B, GLY113C, GLY125B, GLY125C, GLY126B, GLY174C, GLY176C, GLY181C, GLY28B, GLY294B, GLY32B, GLY35B, GLY36B, GLY62C, GLY90B, HIS127B, HIS128B, HIS129B, HIS131C, HIS214C, HIS217C, HIS266B, HIS273C, HIS355C, ILE146C, ILE208C, ILE290B, ILE314B, ILE59C, ILE63B, ILE87B, LEU116C, LEU306B, LEU308B, LEU356C, LEU362C, LEU363C, LEU39B, LEU45B, LEU58B, LYS124C, LYS224C, LYS305B, LYS33B, LYS352C, LYS364C, LYS63C, MET115C, MET128C, MET344C, MET54B, PHE295B, PHE345C, PHE349C, PHE38B, PHE66C, PHE83B, PHE88B, PRO129C, PRO145C, PRO264B, PRO272C, PRO284C, PRO298B, PRO300B, PRO309B, PRO338C, PRO340C, PRO341C, PRO353C, PRO50B, PRO57B, PRO89B, SER130B, SER144C, SER148C, SER179C, SER209C, SER274C, SER280C, SER59B, SER65C, THR118C, THR141C, THR178C, THR216C, THR293B, THR297B, THR310B, THR312B, THR56B, THR64C, TRP183C, TRP343C, TRP354C, TYR206C, TYR212C, TYR282C, TYR299B, TYR301B, TYR307B, TYR86B, TYR95C, VAL123B, VAL142C, VAL210C, VAL292B, VAL311B, VAL31B, VAL339C, VAL348C, VAL37B
• B-D: ALA135B, ALA135D, ALA141B, ALA141D, ALA263B, ALA263D, ALA267B, ALA267D, ALA274B, ALA274D, ALA275B, ALA275D, ALA278B, ALA278D, ALA287B, ALA287D, ALA302B, ALA302D, ALA317B, ALA317D, ALA61B, ALA61D, ALA99B, ALA99D, ARG102B, ARG102D, ARG104B, ARG104D, ARG256B, ARG256D, ARG265B, ARG265D, ARG291B, ARG291D, ARG320B, ARG320D, ASP262B, ASP262D, ASP280B, ASP280D, ASP283B, ASP283D, ASP296B, ASP296D, ASP85B, ASP85D, ASP92B, ASP92D, GLN131B, GLN131D, GLN303B, GLN303D, GLN93B, GLN93D, GLN97B, GLN97D, GLU134B, GLU134D, GLU272B, GLU272D, GLU279B, GLU279D, GLU60B, GLU60D, GLY106B, GLY106D, GLY126B, GLY126D, GLY142B, GLY142D, GLY255B, GLY255D, GLY294B, GLY294D, GLY90B, GLY90D, HIS127B, HIS127D, HIS128B, HIS128D, HIS136B, HIS136D, HIS139B, HIS139D, HIS266B, HIS266D, ILE277B, ILE277D, ILE290B, ILE290D, ILE87B, ILE87D, LEU101B, LEU101D, LEU143B, LEU143D, LEU239B, LEU239D, LEU259B, LEU259D, LEU281B, LEU281D, LEU282B, LEU282D, LEU285B, LEU285D, LEU286B, LEU286D, LEU94B, LEU94D, LYS100B, LYS100D, MET240B, MET240D, MET248B, MET248D, MET284B, MET284D, PHE137B, PHE137D, PHE269B, PHE269D, PHE295B, PHE295D, PHE88B, PHE88D, PHE91B, PHE91D, PRO133B, PRO133D, PRO241B, PRO241D, PRO264B, PRO264D, PRO288B, PRO288D, PRO289B, PRO289D, PRO298B, PRO298D, PRO300B, PRO300D, PRO89B, PRO89D, SER105B, SER105D, SER132B, SER132D, SER261D, SER268B, SER268D, SER271B, SER271D, SER96B, SER96D, THR140B, THR140D, THR276B, THR276D, THR293B, THR293D, THR297B, THR297D, TRP242B, TRP242D, TYR103B, TYR103D, TYR244B, TYR244D, TYR299B, TYR299D, TYR301B, TYR301D, TYR307B, TYR307D, TYR324B, TYR324D, TYR86B, TYR86D, VAL138B, VAL138D, VAL258B, VAL258D, VAL270B, VAL270D, VAL273B, VAL273D, VAL292B, VAL292D, VAL95B, VAL95D
• C-D: ALA111D, ALA136C, ALA141D, ALA143C, ALA147C, ALA153C, ALA154C, ALA156C, ALA157C, ALA169C, ALA185C, ALA190C, ALA191C, ALA195C, ALA350C, ALA61D, ALA62D, ALA66D, ALA67D, ALA71D, ALA72D, ALA99D, ARG102D, ARG104D, ARG126C, ARG164C, ARG23D, ARG358C, ARG52D, ARG76D, ASN123C, ASN138C, ASN188C, ASP121C, ASP164D, ASP166D, ASP182C, ASP243D, ASP280D, ASP347C, ASP51D, ASP55D, ASP89C, ASP92D, GLN108D, GLN114C, GLN127C, GLN167C, GLN193C, GLN359C, GLN93D, GLN97D, GLU110C, GLU165D, GLU180C, GLU245D, GLU272D, GLU279D, GLU342C, GLU346C, GLU351C, GLU60D, GLY106D, GLY107D, GLY125C, GLY133C, GLY142D, GLY155C, GLY166C, GLY181C, GLY186C, GLY194D, GLY28D, GLY65D, GLY69D, GLY74D, GLY90D, HIS131C, HIS149C, HIS355C, HIS73D, ILE146C, ILE158C, ILE187C, ILE63D, LEU101D, LEU137C, LEU143D, LEU162C, LEU163C, LEU239D, LEU27D, LEU356C, LEU58D, LEU68D, LEU75D, LEU94D, LYS100D, LYS124C, LYS135C, LYS144D, LYS161C, LYS195D, LYS352C, MET128C, MET160C, MET240D, MET248D, MET344C, MET54D, MET70D, PHE109D, PHE137D, PHE139C, PHE140C, PHE189C, PHE269D, PHE345C, PHE349C, PHE88C, PHE91D, PHE92C, PRO122C, PRO132C, PRO145C, PRO151C, PRO152C, PRO167D, PRO22D, PRO241D, PRO341C, PRO353C, PRO50D, PRO57D, PRO77D, PRO89D, PRO93C, SER105D, SER134C, SER144C, SER148C, SER159C, SER59D, SER96D, THR110D, THR140D, THR141C, THR165C, THR276D, THR56D, TRP183C, TRP242D, TRP343C, TRP354C, TRP90C, TYR103D, TYR184C, TYR244D, VAL138D, VAL142C, VAL145D, VAL150C, VAL168C, VAL168D, VAL169D, VAL192C, VAL247D, VAL24D, VAL25D, VAL26D, VAL273D, VAL348C, VAL53D, VAL64D, VAL91C, VAL95D, VAL98D