2GB3

crystal structure of aspartate aminotransferase (tm1698) from thermotoga maritima at 2.50 a resolution

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 251
  • Norm. En. per Res.: -4.0776
• Hub Node: A(5)

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	-209.2977	31.8835	-846.066	-1023.4802	251	36	22	32866	5	60	74
A-C	0.0	9.7606	-7.3714	2.3891	12	0	0	224	0	16	13
A-D	-21.1747	-7.9575	-19.2738	-48.406	35	2	0	1218	2	25	26
A-E	0.0	0.0	-0.383	-0.383	9	0	0	63	0	8	3
A-F	0.0	14.2697	-6.5632	7.7065	27	0	0	548	0	22	25
B-F	-26.6373	-14.4763	-101.439	-142.5526	55	5	0	4067	4	42	34
C-D	-206.7607	59.1125	-815.595	-963.2432	254	38	21	32574	1	57	69
E-F	-179.1814	63.4772	-835.927	-951.6312	254	31	21	32761	1	67	73

Interface residues

• A-B: ALA108A, ALA108B, ALA111A, ALA111B, ALA125A, ALA125B, ALA129A, ALA129B, ALA131A, ALA131B, ALA134A, ALA134B, ALA191A, ALA236A, ALA236B, ALA239A, ALA239B, ALA255A, ALA255B, ALA259A, ALA259B, ALA264A, ALA264B, ALA67B, ARG17A, ARG17B, ARG193A, ARG240A, ARG240B, ARG262A, ARG262B, ARG7A, ARG7B, ASN112A, ASN112B, ASN126A, ASN126B, ASN128A, ASN128B, ASN173B, ASN248A, ASN248B, ASN56A, ASN56B, ASN97A, ASN97B, ASP115A, ASP115B, ASP222A, ASP222B, ASP2B, ASP42A, ASP42B, ASP6A, ASP6B, CYS237A, CYS237B, GLN260A, GLN260B, GLN270A, GLN270B, GLN40A, GLN40B, GLU101A, GLU101B, GLU12A, GLU12B, GLU13A, GLU13B, GLU161A, GLU192A, GLU249A, GLU249B, GLU24B, GLU250A, GLU250B, GLU269A, GLU269B, GLU47A, GLU47B, GLU51A, GLU51B, GLU59A, GLU59B, GLY114A, GLY114B, GLY135A, GLY135B, GLY195A, GLY195B, GLY238A, GLY238B, GLY261A, GLY261B, GLY272A, GLY272B, GLY39A, GLY39B, GLY98A, GLY98B, GLY99A, GLY99B, HIS-1B, HIS0B, HIS194A, HIS254A, HIS254B, HIS65A, HIS65B, ILE103A, ILE103B, ILE110A, ILE110B, ILE117A, ILE117B, ILE133A, ILE133B, ILE252A, ILE252B, ILE271A, ILE271B, ILE38A, ILE38B, ILE53A, ILE53B, LEU104A, LEU104B, LEU10A, LEU10B, LEU196A, LEU251A, LEU251B, LEU258A, LEU258B, LEU263A, LEU263B, LEU267A, LEU267B, LEU268A, LEU268B, LEU276A, LEU276B, LEU43A, LEU43B, LEU9A, LEU9B, LYS132A, LYS132B, LYS164A, LYS164B, LYS223A, LYS223B, LYS257A, LYS257B, LYS44A, LYS44B, LYS57A, LYS57B, PHE105A, PHE105B, PHE107A, PHE107B, PHE130A, PHE130B, PHE197A, PHE197B, PHE234A, PHE234B, PHE317A, PHE317B, PHE49A, PHE49B, PHE4A, PHE4B, PHE50A, PHE50B, PRO113A, PRO113B, PRO265A, PRO265B, PRO266A, PRO266B, PRO41A, PRO41B, PRO46A, PRO46B, PRO58A, PRO58B, SER100A, SER100B, SER106A, SER106B, SER14A, SER14B, SER229A, SER229B, SER231A, SER231B, SER235A, SER235B, SER253A, SER253B, SER5A, SER5B, SER64A, SER64B, SER66A, SER66B, THR11A, THR11B, THR163A, THR246A, THR246B, THR45A, THR45B, THR96A, TYR124A, TYR124B, TYR127A, TYR127B, TYR204A, TYR204B, TYR318A, TYR318B, TYR54A, TYR54B, TYR62A, TYR62B, TYR63A, TYR63B, VAL109A, VAL109B, VAL136A, VAL136B, VAL203A, VAL203B, VAL20A, VAL20B, VAL225A, VAL225B, VAL230A, VAL230B, VAL241A, VAL241B, VAL3B, VAL60A, VAL60B, VAL61A, VAL61B, VAL8A, VAL8B
• A-C: ARG162C, ARG82A, ASN112C, GLU161C, GLU74A, GLU91A, HIS254C, LYS164C, LYS81A, LYS89A, PRO90A, TRP70A
• A-D: ALA75A, ALA77A, ARG52A, ARG7D, ARG82A, ARG83A, ARG85A, ASN278A, ASP281A, ASP2D, ASP6D, ASP87A, GLU12D, GLU13D, GLU212A, GLU71A, GLU74A, GLY359D, LEU10D, LEU9D, LYS132D, LYS181A, LYS81A, LYS89A, PHE4D, PRO358D, PRO90A, SER218A, SER78A, THR11D, TYR80A, VAL3D, VAL86A, VAL88A, VAL8D
• A-E: ARG29E, ASN160A, GLU161A, GLU24E, GLY30E, LYS27E, LYS28E, PHE158A, SER157A
• A-F: ARG162A, ARG73F, ARG82F, ARG85F, ASN112A, ASN160A, ASN278F, ASP280F, ASP281F, ASP87F, GLU161A, GLU250A, GLU71F, GLU74F, GLU91F, GLY195A, HIS194A, HIS254A, LEU279F, LYS164A, LYS257A, LYS81F, LYS89F, PRO90F, THR163A, TRP70F, VAL88F
• B-F: ALA214F, ALA75F, ALA77F, ARG185F, ARG352B, ARG52F, ARG7B, ARG82F, ARG83F, ARG85F, ASN278F, ASN56F, ASP281F, ASP2B, ASP6B, ASP87F, GLN84F, GLU12B, GLU13B, GLU212F, GLU51F, GLU55F, GLU71F, GLU74F, GLY211F, GLY275F, HIS-1B, HIS0B, ILE271F, ILE69F, LEU10B, LEU9B, LYS132B, LYS181F, LYS18B, LYS362B, LYS57F, LYS81F, LYS89F, PHE4B, PRO358B, PRO90F, SER218F, SER5B, SER78F, THR11B, TRP70F, TYR79F, TYR80F, VAL274F, VAL3B, VAL48F, VAL86F, VAL88F, VAL8B
• C-D: ALA108C, ALA108D, ALA111C, ALA111D, ALA125C, ALA125D, ALA129C, ALA129D, ALA131C, ALA131D, ALA134C, ALA134D, ALA191D, ALA236C, ALA236D, ALA239C, ALA239D, ALA255C, ALA255D, ALA259C, ALA259D, ALA264C, ALA264D, ARG17C, ARG17D, ARG240C, ARG240D, ARG262C, ARG262D, ARG7C, ARG7D, ASN112C, ASN112D, ASN126C, ASN126D, ASN128C, ASN128D, ASN173C, ASN173D, ASN248C, ASN248D, ASN56C, ASN56D, ASN97C, ASN97D, ASP115C, ASP115D, ASP222C, ASP222D, ASP2C, ASP2D, ASP42C, ASP42D, ASP6C, ASP6D, CYS237C, CYS237D, GLN260C, GLN260D, GLN270C, GLN270D, GLN40C, GLN40D, GLU101C, GLU101D, GLU12C, GLU12D, GLU13C, GLU13D, GLU161C, GLU161D, GLU192D, GLU249C, GLU249D, GLU24C, GLU250C, GLU250D, GLU269C, GLU269D, GLU47C, GLU47D, GLU51C, GLU51D, GLU59C, GLU59D, GLY114C, GLY114D, GLY135C, GLY135D, GLY195C, GLY195D, GLY238C, GLY238D, GLY261C, GLY261D, GLY272C, GLY272D, GLY39C, GLY39D, GLY98C, GLY98D, GLY99C, GLY99D, HIS194C, HIS194D, HIS254C, HIS254D, HIS65C, HIS65D, ILE103C, ILE103D, ILE110C, ILE110D, ILE117C, ILE117D, ILE133C, ILE133D, ILE252C, ILE252D, ILE271C, ILE271D, ILE38C, ILE38D, ILE53C, ILE53D, LEU104C, LEU104D, LEU10C, LEU10D, LEU196C, LEU196D, LEU251C, LEU251D, LEU258C, LEU258D, LEU263C, LEU263D, LEU267C, LEU267D, LEU268C, LEU268D, LEU276C, LEU276D, LEU43C, LEU43D, LEU9C, LEU9D, LYS132C, LYS132D, LYS137D, LYS164C, LYS164D, LYS223C, LYS223D, LYS257C, LYS257D, LYS44C, LYS44D, LYS57C, LYS57D, PHE105C, PHE105D, PHE107C, PHE107D, PHE130C, PHE130D, PHE197C, PHE197D, PHE234C, PHE234D, PHE317C, PHE317D, PHE49C, PHE49D, PHE4C, PHE4D, PHE50C, PHE50D, PRO113C, PRO113D, PRO265C, PRO265D, PRO266C, PRO266D, PRO41C, PRO41D, PRO46C, PRO46D, PRO58C, PRO58D, SER100C, SER100D, SER106C, SER106D, SER14C, SER14D, SER229C, SER229D, SER231C, SER231D, SER235C, SER235D, SER253C, SER253D, SER5C, SER5D, SER64C, SER64D, SER66D, THR11C, THR11D, THR163C, THR163D, THR246C, THR246D, THR45C, THR45D, THR96C, TYR124C, TYR124D, TYR127C, TYR127D, TYR204C, TYR204D, TYR318C, TYR318D, TYR54C, TYR54D, TYR62C, TYR62D, TYR63C, TYR63D, VAL109C, VAL109D, VAL136C, VAL136D, VAL203C, VAL203D, VAL20C, VAL20D, VAL225C, VAL225D, VAL230C, VAL230D, VAL241C, VAL241D, VAL3C, VAL3D, VAL60C, VAL60D, VAL61C, VAL61D, VAL8C, VAL8D
• E-F: ALA108E, ALA108F, ALA111E, ALA111F, ALA125E, ALA125F, ALA129E, ALA129F, ALA131E, ALA131F, ALA134E, ALA134F, ALA191F, ALA236E, ALA236F, ALA239E, ALA239F, ALA255E, ALA255F, ALA259E, ALA259F, ALA264E, ALA264F, ALA67E, ARG17E, ARG17F, ARG193F, ARG240E, ARG240F, ARG262E, ARG262F, ARG7E, ARG7F, ASN112E, ASN112F, ASN126E, ASN126F, ASN128E, ASN128F, ASN173E, ASN248E, ASN248F, ASN56E, ASN56F, ASN97E, ASN97F, ASP115E, ASP115F, ASP222E, ASP222F, ASP2E, ASP42E, ASP42F, ASP6E, ASP6F, CYS237E, CYS237F, GLN260E, GLN260F, GLN270E, GLN270F, GLN40E, GLN40F, GLU101E, GLU101F, GLU12E, GLU12F, GLU13E, GLU13F, GLU161F, GLU192F, GLU249E, GLU249F, GLU250E, GLU250F, GLU269E, GLU269F, GLU47E, GLU47F, GLU51E, GLU51F, GLU59E, GLU59F, GLY114E, GLY114F, GLY135E, GLY135F, GLY195E, GLY195F, GLY238E, GLY238F, GLY261E, GLY261F, GLY272E, GLY272F, GLY39E, GLY39F, GLY98E, GLY98F, GLY99E, GLY99F, HIS-1E, HIS0E, HIS194E, HIS194F, HIS254E, HIS254F, HIS65E, HIS65F, ILE103E, ILE103F, ILE110E, ILE110F, ILE117E, ILE117F, ILE133E, ILE133F, ILE252E, ILE252F, ILE271E, ILE271F, ILE38E, ILE38F, ILE53E, ILE53F, LEU104E, LEU104F, LEU10E, LEU10F, LEU196E, LEU196F, LEU251E, LEU251F, LEU258E, LEU258F, LEU263E, LEU263F, LEU267E, LEU267F, LEU268E, LEU268F, LEU276E, LEU276F, LEU43E, LEU43F, LEU9E, LEU9F, LYS132E, LYS132F, LYS164E, LYS164F, LYS223E, LYS223F, LYS257E, LYS257F, LYS44E, LYS44F, LYS57E, LYS57F, PHE105E, PHE105F, PHE107E, PHE107F, PHE130E, PHE130F, PHE197E, PHE197F, PHE234E, PHE234F, PHE317E, PHE317F, PHE49E, PHE49F, PHE4E, PHE4F, PHE50E, PHE50F, PRO113E, PRO113F, PRO265E, PRO265F, PRO266E, PRO266F, PRO41E, PRO41F, PRO46E, PRO46F, PRO58E, PRO58F, SER100E, SER100F, SER106E, SER106F, SER14E, SER14F, SER229E, SER229F, SER231E, SER231F, SER235E, SER235F, SER253E, SER253F, SER5E, SER5F, SER64E, SER64F, SER66E, SER66F, THR11E, THR11F, THR163E, THR163F, THR246E, THR246F, THR45E, THR45F, THR96F, TYR124E, TYR124F, TYR127E, TYR127F, TYR204E, TYR204F, TYR318E, TYR318F, TYR54E, TYR54F, TYR62E, TYR62F, TYR63E, TYR63F, VAL109E, VAL109F, VAL136E, VAL136F, VAL203E, VAL203F, VAL20E, VAL20F, VAL225E, VAL225F, VAL230E, VAL230F, VAL241E, VAL241F, VAL3E, VAL3F, VAL60E, VAL60F, VAL61E, VAL61F, VAL8E, VAL8F