2QLR

crystal structure of human kynurenine aminotransferase ii

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 360
  • Norm. En. per Res.: -4.197
• Hub Node: A(2)

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	-326.2929	14.1403	-1165.71	-1477.8626	359	89	42	47438	3	15	34
A-D	-12.6204	-3.5148	-26.5732	-42.7084	37	14	0	2233	0	13	8
B-C	0.0	0.0	-1.1034	-1.1034	11	0	0	223	0	5	3
C-D	-297.2078	-2.1175	-1211.59	-1510.9153	360	75	41	48335	2	17	33

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, ARG20A, ARG20B, ARG270A, ARG270B, ARG283A, ARG283B, ARG28B, ARG321A, ARG321B, ARG399A, ARG399B, ARG70A, ARG70B, ASN15A, ASN15B, ASN202A, ASN202B, ASN299A, ASN299B, ASN385B, ASN42A, ASN42B, ASN44A, ASN44B, ASN57A, ASN57B, ASP24A, ASP24B, ASP324B, ASP411A, ASP411B, CYS122A, CYS122B, GLN118A, GLN118B, GLN119A, GLN119B, GLN147A, GLN147B, GLN289A, GLN289B, GLN300A, GLN300B, GLN305A, GLN305B, GLN329A, GLN329B, GLN409A, GLN409B, GLN62A, GLN62B, GLN73A, GLN73B, GLU126A, GLU126B, GLU371A, GLU371B, GLU408A, GLU408B, GLU56A, GLU56B, GLU65A, GLU65B, GLY116A, GLY116B, GLY120A, GLY120B, GLY144A, GLY144B, GLY153A, GLY153B, GLY268A, GLY268B, GLY29A, GLY29B, GLY378A, GLY378B, GLY384B, GLY38A, GLY38B, GLY39A, GLY39B, GLY58A, GLY58B, GLY64B, HIS150A, HIS150B, HIS287A, HIS287B, HIS294A, HIS294B, HIS318A, HIS318B, ILE19A, ILE19B, ILE25A, ILE25B, ILE264A, ILE264B, ILE265A, ILE265B, ILE271A, ILE271B, ILE288A, ILE288B, ILE303A, ILE303B, ILE323A, ILE323B, ILE333A, ILE333B, ILE34A, ILE34B, ILE370A, ILE370B, ILE53A, ILE53B, ILE61A, ILE61B, LEU121A, LEU121B, LEU146A, LEU146B, LEU149A, LEU149B, LEU152A, LEU152B, LEU236A, LEU236B, LEU269A, LEU269B, LEU26A, LEU26B, 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, LYS367B, LYS376A, LYS376B, LYS49A, LYS49B, LYS59A, LYS59B, LYS69A, LYS69B, MET22A, MET22B, 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, PRO407A, PRO407B, 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, SER27A, SER27B, 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, THR21A, THR21B, THR23A, THR23B, 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, VAL389A, VAL412A, VAL412B, VAL416A, VAL416B, VAL52A, VAL52B, VAL55A, VAL55B
• A-D: ARG177D, ASN134D, ASN155D, ASN189D, ASN57A, ASP133D, ASP182D, GLN187D, GLN305A, GLN62A, GLU309A, GLU65A, GLU66A, GLY132D, GLY58A, GLY64A, HIS308A, ILE157D, ILE174D, ILE53A, ILE61A, LEU175D, LEU306A, LYS179D, LYS188D, LYS59A, MET67A, PHE63A, PRO131D, PRO191D, SER176D, THR190D, THR54A, THR60A, TRP178D, VAL52A, VAL55A
• B-C: ALA317B, ARG321B, ASN185C, ASN57B, ASP320B, ASP324B, GLN187C, GLU56B, GLY58B, LYS188C, PRO186C
• 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, ARG321C, ARG321D, ARG399C, ARG399D, ARG70C, ARG70D, ASN15C, ASN15D, ASN202C, ASN202D, ASN299C, ASN299D, ASN385C, ASN42C, ASN42D, ASN44C, ASN44D, ASN57C, ASN57D, ASP24C, ASP24D, ASP320D, 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, GLU408C, GLU408D, GLU56C, GLU56D, GLU65C, GLY116C, GLY116D, GLY120C, GLY120D, GLY144C, GLY144D, GLY153C, GLY153D, GLY268C, GLY268D, GLY29C, GLY29D, GLY378C, GLY378D, GLY38C, GLY38D, GLY39C, GLY39D, GLY58C, GLY58D, GLY64C, HIS150C, HIS150D, HIS287C, HIS287D, HIS294C, HIS294D, HIS318C, HIS318D, ILE19C, ILE19D, ILE25C, ILE25D, 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, LEU26D, LEU286C, LEU286D, LEU293C, LEU293D, LEU301C, LEU301D, LEU306C, LEU306D, LEU307C, LEU307D, LEU341C, LEU356C, LEU356D, LEU36C, LEU36D, LEU380C, LEU380D, LEU382C, LEU382D, LEU398C, LEU398D, LEU40C, LEU40D, LEU417C, LEU417D, LEU72C, LEU72D, LYS123C, LYS123D, LYS31C, LYS31D, LYS367C, LYS376C, LYS376D, LYS49C, LYS49D, LYS59C, LYS59D, LYS69C, LYS69D, MET22C, MET22D, 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, PRO407D, 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, SER27D, 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, THR21D, THR23C, THR23D, 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, VAL366C, VAL375C, VAL375D, VAL379C, VAL379D, VAL412C, VAL412D, VAL416C, VAL416D, VAL52C, VAL52D, VAL55C, VAL55D