1TT5

structure of appbp1-uba3-ubc12n26: a unique e1-e2 interaction required for optimal conjugation of the ubiquitin-like protein nedd8

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 318
  • Norm. En. per Res.: -4.3238
• Hub Node: B(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	-140.6204	-182.8147	-1051.54	-1374.9751	318	69	16	42059	18	77	76
B-D	-27.8271	2.2579	-144.017	-169.5862	81	8	3	5648	0	33	30
B-E	-26.4025	5.7888	-173.124	-193.7377	77	6	4	7722	0	16	16
B-F	0.0	0.0	-1.287	-1.287	8	0	0	128	0	3	2
C-D	-120.5612	-143.1431	-808.823	-1072.5273	287	80	17	36008	19	69	61
D-E	0.0	0.0	-0.0664	-0.0664	4	0	0	22	0	2	1
D-F	-8.4965	6.4242	-133.961	-136.0333	65	5	4	5963	0	13	15

Interface residues

• A-B: ALA107B, ALA189B, ALA268B, ALA291B, ALA293B, ALA297B, ALA300B, ALA301B, ALA304B, ALA314B, ALA334A, ALA40A, ALA487A, ALA488A, ALA494A, ALA495A, ALA500A, ALA501A, ALA502A, ALA530A, ALA68B, ALA70A, ALA89A, ARG114B, ARG15A, ARG16B, ARG18A, ARG223B, ARG267B, ARG26B, ARG274B, ARG279B, ARG287B, ARG347A, ARG391A, ARG484A, ARG73B, ARG78A, ARG85A, ARG90B, ARG95B, ASN112B, ASN117B, ASN178A, ASN18B, ASN264A, ASN272B, ASN296B, ASN319B, ASN325B, ASN344A, ASN447A, ASN48A, ASN517A, ASN518A, ASN66B, ASN72A, ASN73A, ASN87B, ASN89B, ASN97A, ASP113B, ASP12B, ASP14A, ASP177A, ASP208A, ASP22A, ASP252B, ASP326B, ASP328B, ASP331A, ASP335A, ASP420A, ASP453A, ASP476A, ASP477A, ASP69A, ASP84B, ASP99A, CYS118B, CYS216B, CYS303B, CYS483A, CYS61B, GLN11A, GLN130A, GLN16A, GLN25A, GLN270B, GLN282B, GLN343A, GLN449A, GLN503A, GLN512A, GLN527A, GLN77A, GLN91B, GLN94A, GLU10A, GLU14B, GLU183B, GLU226B, GLU25B, GLU263A, GLU267A, GLU306B, GLU348A, GLU36B, GLU44A, GLU451A, GLU481A, GLU489A, GLU504A, GLU62B, GLU68A, GLU91A, GLU95A, GLY157A, GLY15B, GLY184B, GLY21A, GLY275B, GLY283B, GLY28B, GLY329B, GLY337A, GLY444A, GLY486A, GLY498A, GLY499A, GLY524A, GLY53A, GLY67A, GLY71A, GLY71B, HIS175A, HIS19B, HIS211A, HIS227B, HIS23A, HIS32B, HIS480A, HIS491A, ILE218B, ILE257B, ILE273B, ILE288B, ILE289B, ILE299B, ILE316B, ILE329A, ILE333A, ILE340A, ILE454A, ILE45A, ILE493A, ILE506A, ILE515A, ILE521A, ILE81A, ILE99B, LEU111B, LEU11B, LEU158A, LEU17A, LEU19A, LEU224B, LEU24B, LEU280B, LEU28A, LEU318B, LEU322B, LEU330B, LEU342A, LEU425A, LEU497A, LEU49A, LEU51A, LEU63B, LEU64B, LEU67B, LEU69B, LEU76A, LEU7A, LEU88B, LEU8A, LEU93A, LEU93B, LEU96A, LYS10B, LYS12A, LYS186B, LYS21B, LYS22B, LYS286B, LYS309B, LYS338A, LYS341A, LYS351A, LYS475A, LYS47A, LYS507A, LYS65B, LYS9A, MET162A, MET221B, MET332A, MET428A, MET525A, MET9B, PHE110B, PHE185B, PHE213B, PHE23B, PHE308B, PHE30B, PHE324B, PHE35B, PHE482A, PHE496A, PHE513A, PHE516A, PHE532A, PHE72B, PHE74A, PHE75A, PHE92A, PHE92B, PHE94B, PRO116B, PRO176A, PRO213A, PRO214B, PRO222B, PRO225B, PRO254B, PRO290B, PRO29B, PRO317B, PRO330A, PRO37B, PRO443A, PRO490A, PRO52A, PRO96B, SER174A, SER210A, SER220B, SER27B, SER294B, SER313B, SER336A, SER38B, SER446A, SER523A, SER526A, SER529A, SER66A, SER70B, SER79A, SER86B, SER98A, THR155A, THR182B, THR212A, THR217B, THR277B, THR281B, THR295B, THR305B, THR31B, THR332B, THR334B, THR39A, THR43A, THR492A, THR510A, THR519A, THR528A, THR531A, TRP13B, TRP17B, TRP20A, TYR13A, TYR156A, TYR271B, TYR278B, TYR315B, TYR331B, TYR333B, TYR339A, TYR442A, TYR448A, TYR478A, TYR485A, TYR520A, TYR522A, VAL115B, VAL159A, VAL191B, VAL20B, VAL284B, VAL285B, VAL292B, VAL298B, VAL302B, VAL307B, VAL323B, VAL327B, VAL393A, VAL424A, VAL445A, VAL450A, VAL479A, VAL50A, VAL514A, VAL65A, VAL85B
• B-D: ALA108B, ALA108D, ARG101B, ARG101D, ARG136D, ARG707B, ASN112B, ASN112D, ASN119B, ASN119D, ASN125B, ASN125D, ASN131B, ASN131D, ASN163D, ASP129B, ASP129D, ASP132B, ASP132D, ASP166D, ASP170D, GLN128B, GLN128D, GLN137B, GLN137D, GLN74D, GLU105B, GLU105D, GLU109B, GLU109D, GLU165B, GLU165D, HIS123B, HIS123D, HIS76B, HIS76D, ILE127B, ILE127D, ILE704B, ILE78B, ILE78D, LYS126B, LYS126D, LYS50B, LYS50D, LYS600D, MET157D, MET80B, MET80D, PHE124B, PHE124D, PHE130B, PHE130D, PHE134B, PHE134D, PHE138B, PHE138D, PRO1002B, PRO1002D, PRO102B, PRO102D, PRO122B, PRO122D, SER608B, SER703B, SER703D, THR133B, THR133D, THR384B, THR702D, THR82D, TRP153B, TRP153D, TYR135B, TYR135D, VAL120B, VAL120D, VAL121B, VAL121D, VAL701B, VAL701D
• B-E: ALA198B, ALA311B, ALA314B, ALA337B, ARG136B, ARG339B, ASN163B, ASN319B, ASN320B, ASP170B, ASP34B, ASP47B, CYS49B, GLN10E, GLN137B, GLN43B, GLN9E, GLU13E, GLU336B, GLU338B, GLU36B, GLU40B, GLY195B, HIS139B, HIS32B, ILE140B, ILE141B, ILE174B, ILE2E, ILE310B, ILE316B, LEU158B, LEU161B, LEU169B, LEU193B, LEU24B, LEU318B, LEU42B, LEU45B, LEU4E, LEU7E, LYS11E, LYS12E, LYS309B, LYS3E, LYS50B, LYS8E, MET196B, MET1E, PHE138B, PHE308B, PHE35B, PHE44B, PHE5E, PHE72B, PRO171B, PRO176B, PRO194B, PRO317B, PRO33B, SER172B, SER173B, SER313B, SER38B, SER41B, SER6E, THR197B, THR312B, THR31B, THR48B, TYR135B, TYR315B, VAL168B, VAL175B, VAL191B, VAL307B, VAL51B
• B-F: GLN10F, GLU13F, GLU245B, GLY246B, LYS11F, PRO248B, SER608B, VAL247B
• C-D: ALA107D, ALA189D, ALA291D, ALA293D, ALA297D, ALA300D, ALA301D, ALA304D, ALA314D, ALA334C, ALA40C, ALA487C, ALA488C, ALA494C, ALA495C, ALA500C, ALA501C, ALA502C, ALA530C, ALA68D, ALA70C, ALA89C, ARG114D, ARG15C, ARG18C, ARG223D, ARG267D, ARG26D, ARG274D, ARG279D, ARG287D, ARG347C, ARG391C, ARG484C, ARG78C, ARG90D, ARG95D, ASN178C, ASN18D, ASN272D, ASN296D, ASN319D, ASN325D, ASN344C, ASN447C, ASN48C, ASN517C, ASN66D, ASN72C, ASN73C, ASN87D, ASN89D, ASN97C, ASP113D, ASP14C, ASP177C, ASP22C, ASP326D, ASP328D, ASP331C, ASP335C, ASP420C, ASP476C, ASP477C, ASP69C, ASP84D, CYS216D, CYS228D, CYS303D, CYS483C, CYS61D, GLN11C, GLN16C, GLN25C, GLN282D, GLN343C, GLN449C, GLN503C, GLN512C, GLN527C, GLN77C, GLN91D, GLN94C, GLU10C, GLU183D, GLU226D, GLU25D, GLU263C, GLU306D, GLU348C, GLU422C, GLU44C, GLU451C, GLU481C, GLU489C, GLU504C, GLU62D, GLU68C, GLU91C, GLU95C, GLY157C, GLY184D, GLY21C, GLY275D, GLY283D, GLY28D, GLY329D, GLY337C, GLY444C, GLY486C, GLY498C, GLY499C, GLY524C, GLY53C, GLY58D, GLY67C, GLY71C, GLY71D, HIS175C, HIS19D, HIS211C, HIS227D, HIS480C, HIS491C, ILE164C, ILE273D, ILE288D, ILE289D, ILE299D, ILE316D, ILE329C, ILE333C, ILE340C, ILE45C, ILE493C, ILE506C, ILE515C, ILE521C, ILE99D, LEU111D, LEU151C, LEU158C, LEU17C, LEU19C, LEU224D, LEU24D, LEU280D, LEU318D, LEU322D, LEU330D, LEU425C, LEU497C, LEU49C, LEU51C, LEU63D, LEU64D, LEU67D, LEU69D, LEU76C, LEU7C, LEU88D, LEU8C, LEU93C, LEU93D, LEU96C, LYS103D, LYS12C, LYS186D, LYS21D, LYS22D, LYS286D, LYS309D, LYS338C, LYS341C, LYS381C, LYS475C, LYS47C, LYS507C, LYS65D, LYS97D, LYS9C, MET162C, MET221D, MET332C, MET428C, MET525C, PHE110D, PHE185D, PHE213D, PHE23D, PHE308D, PHE30D, PHE324D, PHE35D, PHE482C, PHE496C, PHE513C, PHE516C, PHE72D, PHE74C, PHE75C, PHE92C, PHE92D, PHE94D, PRO116D, PRO176C, PRO213C, PRO214D, PRO222D, PRO225D, PRO254D, PRO290D, PRO29D, PRO317D, PRO330C, PRO37D, PRO419C, PRO443C, PRO490C, PRO52C, PRO96D, SER174C, SER220D, SER27D, SER294D, SER336C, SER446C, SER523C, SER526C, SER529C, SER66C, SER70D, SER86D, SER98C, THR155C, THR182D, THR217D, THR277D, THR281D, THR295D, THR305D, THR31D, THR332D, THR334D, THR39C, THR492C, THR510C, THR519C, THR528C, THR531C, TRP17D, TRP20C, TRP214C, TYR13C, TYR156C, TYR271D, TYR278D, TYR315D, TYR331D, TYR333D, TYR339C, TYR448C, TYR478C, TYR485C, TYR520C, TYR522C, VAL115D, VAL159C, VAL191D, VAL20D, VAL284D, VAL285D, VAL292D, VAL298D, VAL302D, VAL307D, VAL323D, VAL327D, VAL393C, VAL424C, VAL445C, VAL450C, VAL474C, VAL479C, VAL50C, VAL514C, VAL85D
• D-E: GLY246D, LYS11E, PRO248D, VAL247D
• D-F: ALA311D, ALA314D, ARG136D, ASP170D, ASP34D, ASP47D, CYS49D, GLN10F, GLN137D, GLN43D, GLN9F, GLU13F, GLU36D, GLU40D, HIS139D, HIS32D, ILE140D, ILE141D, ILE174D, ILE178D, ILE192D, ILE310D, ILE316D, LEU158D, LEU161D, LEU177D, LEU193D, LEU24D, LEU42D, LEU45D, LEU4F, LEU7F, LYS11F, LYS12F, LYS309D, LYS50D, LYS8F, MET196D, PHE134D, PHE138D, PHE308D, PHE35D, PHE44D, PHE5F, PHE72D, PRO171D, PRO176D, PRO194D, PRO317D, PRO33D, SER172D, SER173D, SER313D, SER38D, SER41D, SER6F, THR197D, THR312D, THR48D, TYR135D, TYR315D, VAL175D, VAL191D, VAL307D, VAL51D