3DC1

crystal structure of kynurenine aminotransferase ii complex with alpha-ketoglutarate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 357
  • Norm. En. per Res.: -4.4015
• 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	-271.0432	-1.5861	-1158.58	-1431.2093	340	74	39	46333	3	15	28
A-C	-18.8587	-26.0853	-108.617	-153.561	87	1	0	5928	2	31	25
A-D	0.0	1.7786	-10.2428	-8.4642	13	0	0	557	0	5	5
C-D	-328.1472	3.3899	-1246.59	-1571.3473	357	67	40	48701	4	18	34

Interface residues

• A-B: ALA10A, ALA10B, ALA12A, ALA12B, ALA13A, ALA13B, ALA336A, ALA336B, ALA374A, ALA374B, ALA37A, ALA37B, ALA386A, ALA386B, ALA400A, ALA400B, ALA405A, ALA405B, ALA413A, ALA413B, ALA51A, ALA51B, ALA71A, ALA71B, ALA9A, ALA9B, ARG14A, ARG14B, ARG20B, ARG270A, ARG270B, ARG283A, ARG283B, ARG321A, ARG321B, ARG399A, ARG399B, ARG70A, ARG70B, ASN15A, ASN15B, ASN202A, ASN202B, ASN299A, ASN299B, ASN42A, ASN42B, ASN44A, ASN44B, ASN57A, ASN57B, ASP324A, ASP324B, ASP411A, ASP411B, CYS122A, CYS122B, GLN118A, GLN118B, GLN119A, GLN119B, GLN147A, GLN147B, GLN289A, GLN289B, GLN300A, GLN300B, GLN305A, GLN305B, GLN329A, GLN329B, GLN409A, GLN409B, GLN415A, GLN62A, GLN62B, GLN73A, GLN73B, GLU126A, GLU126B, GLU371A, GLU372A, GLU408A, GLU408B, GLU56A, GLU56B, GLU65A, GLU65B, GLY116A, GLY116B, GLY120A, GLY120B, GLY144A, GLY144B, GLY153A, GLY153B, GLY268A, GLY268B, GLY29A, GLY29B, GLY378A, GLY378B, GLY38A, GLY38B, GLY39A, GLY39B, GLY58A, GLY58B, HIS150A, HIS150B, HIS287A, HIS287B, HIS294A, HIS294B, HIS318A, HIS318B, ILE19B, ILE264A, ILE264B, ILE265A, ILE265B, ILE271A, ILE271B, ILE288A, ILE288B, ILE303A, ILE303B, ILE323A, ILE323B, ILE333A, ILE333B, ILE34A, ILE34B, ILE358A, ILE358B, ILE370A, ILE370B, ILE53A, ILE53B, ILE61A, ILE61B, LEU121A, LEU121B, LEU146A, LEU146B, LEU149A, LEU149B, LEU152A, LEU152B, LEU236A, LEU236B, LEU269A, LEU269B, LEU286A, LEU286B, LEU293A, LEU293B, LEU301A, LEU301B, LEU306A, LEU306B, LEU307A, LEU307B, LEU356A, LEU356B, LEU36A, LEU36B, LEU380A, LEU380B, LEU382A, LEU382B, LEU398A, LEU398B, LEU40A, LEU40B, LEU417A, LEU417B, LEU72A, LEU72B, LYS123A, LYS123B, LYS31A, LYS31B, LYS373A, LYS376A, LYS376B, LYS49A, LYS49B, LYS59A, LYS59B, LYS69A, LYS69B, MET302A, MET302B, MET33A, MET33B, MET354A, MET354B, MET377A, MET377B, MET381A, MET381B, MET410A, MET410B, MET45A, MET45B, MET68A, MET68B, PHE125A, PHE125B, PHE261A, PHE261B, PHE298A, PHE298B, PHE315A, PHE315B, PHE325A, PHE325B, PHE355A, PHE355B, PHE387A, PHE387B, PHE402A, PHE402B, PHE414A, PHE414B, PHE46A, PHE46B, PHE48A, PHE48B, PHE63A, PHE63B, PRO131A, PRO131B, PRO151A, PRO151B, PRO16A, PRO16B, PRO18A, PRO18B, PRO232A, PRO232B, PRO295A, PRO295B, PRO30A, PRO30B, PRO383A, PRO383B, PRO41A, PRO41B, PRO43A, PRO43B, PRO47A, PRO47B, SER115A, SER115B, SER117A, SER117B, SER11A, SER11B, SER143A, SER143B, SER148A, SER148B, SER17A, SER17B, SER260A, SER260B, SER262A, SER262B, SER266A, SER266B, SER267A, SER267B, SER291A, SER291B, SER296A, SER296B, SER304A, SER304B, SER32A, SER32B, SER35A, SER35B, SER391A, SER391B, SER401A, SER401B, SER403A, SER403B, SER404A, SER404B, SER406A, SER406B, SER75A, SER75B, THR114A, THR114B, THR145A, THR145B, THR292A, THR292B, THR297A, THR297B, THR50A, THR50B, THR54A, THR54B, THR60A, THR60B, THR8A, THR8B, TRP310A, TRP310B, TYR142A, TYR142B, TYR233A, TYR233B, TYR326A, TYR326B, TYR74A, TYR74B, VAL290A, VAL290B, VAL319A, VAL319B, VAL322A, VAL322B, VAL375A, VAL375B, VAL379A, VAL379B, VAL412A, VAL412B, VAL416A, VAL416B, VAL52A, VAL52B, VAL55A, VAL55B
• A-C: ALA332A, ALA335A, ALA337A, ALA351A, ALA413A, ALA418A, ARG20C, ARG28C, ARG70C, ASN239A, ASN328A, ASP110C, ASP331A, ASP338A, ASP411A, GLN108C, GLN305C, GLN415A, GLN419A, GLN89C, GLN91C, GLU163A, GLU309C, GLU312C, GLU313C, GLU408A, GLU423A, GLU82C, GLY29C, GLY311C, GLY343A, HIS101C, HIS308C, HIS348A, ILE100C, ILE25C, ILE421A, ILE80C, ILE92C, LEU111C, LEU301C, LEU307C, LEU334A, LEU341A, LEU344A, LEU417A, LEU420A, LEU425A, LEU83C, LEU84C, LEU87C, LEU90C, LYS240A, LYS278C, LYS31C, LYS330A, LYS339A, LYS361A, LYS422A, LYS88C, LYS93C, MET109C, MET377A, MET67C, PHE238A, PHE241A, PHE414A, PRO103C, PRO104C, PRO30C, PRO350A, PRO81C, SER164A, SER27C, SER304C, SER327A, SER32C, SER85C, THR209A, THR342A, TRP340A, TRP347A, TRP86C, TYR102C, VAL349A, VAL412A, VAL416A
• A-D: ASN239A, ASP324A, GLN419D, GLU372D, GLY378D, LEU420D, LYS240A, LYS373D, LYS376D, MET377D, PHE238A, PHE241A, VAL375D
• C-D: ALA10C, ALA10D, ALA12C, ALA12D, ALA13C, ALA13D, ALA336C, ALA336D, ALA374C, ALA374D, ALA37C, ALA37D, ALA386C, ALA386D, ALA400C, ALA400D, ALA405C, ALA405D, ALA413C, ALA413D, ALA51C, ALA51D, ALA71C, ALA71D, ALA9C, ALA9D, ARG14C, ARG14D, ARG20C, ARG20D, ARG270C, ARG270D, ARG283C, ARG283D, ARG28C, ARG28D, ARG321C, ARG321D, ARG399C, ARG399D, ARG70C, ARG70D, ASN15C, ASN15D, ASN202C, ASN202D, ASN299C, ASN299D, ASN385D, ASN42C, ASN42D, ASN44C, ASN44D, ASN57C, ASN57D, ASP24C, ASP324C, ASP324D, ASP411C, ASP411D, CYS122C, CYS122D, GLN118C, GLN118D, GLN119C, GLN119D, GLN147C, GLN147D, GLN289C, GLN289D, GLN300C, GLN300D, GLN305C, GLN305D, GLN329C, GLN329D, GLN409C, GLN409D, GLN62C, GLN62D, GLN73C, GLN73D, GLU126C, GLU126D, GLU371C, GLU371D, GLU372C, GLU372D, GLU408C, GLU408D, GLU56C, GLU56D, GLU65C, GLU65D, GLY116C, GLY116D, GLY120C, GLY120D, GLY144C, GLY144D, GLY153C, GLY153D, GLY268C, GLY268D, GLY29C, GLY29D, GLY378C, GLY378D, GLY384D, GLY38C, GLY38D, GLY39C, GLY39D, GLY58C, GLY58D, GLY64C, HIS150C, HIS150D, HIS287C, HIS287D, HIS294C, HIS294D, HIS318C, HIS318D, ILE19C, ILE19D, ILE25C, ILE264C, ILE264D, ILE265C, ILE265D, ILE271C, ILE271D, ILE288C, ILE288D, ILE303C, ILE303D, ILE323C, ILE323D, ILE333C, ILE333D, ILE34C, ILE34D, ILE358C, ILE358D, ILE370C, ILE370D, ILE53C, ILE53D, ILE61C, ILE61D, LEU121C, LEU121D, LEU146C, LEU146D, LEU149C, LEU149D, LEU152C, LEU152D, LEU236C, LEU236D, LEU269C, LEU269D, LEU26C, LEU286C, LEU286D, LEU293C, LEU293D, LEU301C, LEU301D, LEU306C, LEU306D, LEU307C, LEU307D, LEU356C, LEU356D, LEU36C, LEU36D, LEU380C, LEU380D, LEU382C, LEU382D, LEU398C, LEU398D, LEU40C, LEU40D, LEU417C, LEU417D, LEU72C, LEU72D, LYS123C, LYS123D, LYS31C, LYS31D, LYS367D, LYS373C, LYS376C, LYS376D, LYS49C, LYS49D, LYS59C, LYS59D, LYS69C, LYS69D, MET22C, MET302C, MET302D, MET33C, MET33D, MET354C, MET354D, MET377C, MET377D, MET381C, MET381D, MET410C, MET410D, MET45C, MET45D, MET68C, MET68D, PHE125C, PHE125D, PHE261C, PHE261D, PHE298C, PHE298D, PHE315C, PHE315D, PHE325C, PHE325D, PHE355C, PHE355D, PHE387C, PHE387D, PHE402C, PHE402D, PHE414C, PHE414D, PHE46C, PHE46D, PHE48C, PHE48D, PHE63C, PHE63D, PRO131C, PRO131D, PRO151C, PRO151D, PRO16C, PRO16D, PRO18C, PRO18D, PRO232C, PRO232D, PRO295C, PRO295D, PRO30C, PRO30D, PRO383C, PRO383D, PRO41C, PRO41D, PRO43C, PRO43D, PRO47C, PRO47D, SER115C, SER115D, SER117C, SER117D, SER11C, SER11D, SER143C, SER143D, SER148C, SER148D, SER17C, SER17D, SER260C, SER260D, SER262C, SER262D, SER266C, SER266D, SER267C, SER267D, SER27C, SER291C, SER291D, SER296C, SER296D, SER304C, SER304D, SER32C, SER32D, SER35C, SER35D, SER391C, SER391D, SER401C, SER401D, SER403C, SER403D, SER404C, SER404D, SER406C, SER406D, SER75C, SER75D, THR114C, THR114D, THR145C, THR145D, THR21C, THR23C, THR292C, THR292D, THR297C, THR297D, THR50C, THR50D, THR54C, THR54D, THR60C, THR60D, THR8C, THR8D, TRP310C, TRP310D, TYR142C, TYR142D, TYR233C, TYR233D, TYR326C, TYR326D, TYR74C, TYR74D, VAL290C, VAL290D, VAL319C, VAL319D, VAL322C, VAL322D, VAL366D, VAL375C, VAL375D, VAL379C, VAL379D, VAL412C, VAL412D, VAL416C, VAL416D, VAL52C, VAL52D, VAL55C, VAL55D