2BE7

crystal structure of the unliganded (t-state) aspartate transcarbamoylase of the psychrophilic bacterium moritella profunda

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 61
  • Norm. En. per Res.: -4.2752
• Hub Node: A(4)

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	-59.1588	-49.0826	-236.555	-344.7963	104	16	7	10478	7	25	27
A-C	-50.7189	-18.9766	-247.322	-317.0175	109	16	7	10763	6	26	27
A-D	-61.6552	4.3158	-211.86	-269.1993	68	10	5	7257	3	40	21
A-E	0.0	0.0	-1.6974	-1.6974	8	0	0	136	0	1	2
B-C	-58.0833	-13.5034	-232.092	-303.6787	105	18	7	10426	6	26	28
B-E	-49.7495	-4.7104	-203.0	-257.4599	61	9	5	7137	3	31	21
B-F	0.0	0.0	-1.5641	-1.5641	7	0	0	133	0	1	2
C-D	0.0	0.0	-1.9181	-1.9181	8	0	0	146	0	1	3
C-F	-52.4871	-5.6485	-202.652	-260.7876	61	14	5	7219	3	29	21

Interface residues

• A-B: ALA100B, ALA102B, ALA289A, ALA46B, ALA52A, ALA63A, ALA77A, ALA77B, ALA83B, ALA90B, ARG106A, ARG269A, ARG296A, ARG55A, ARG57A, ARG66A, ASN121B, ASN291A, ASN42B, ASN76A, ASN76B, ASN79A, ASN79B, ASP101B, ASP271A, ASP278A, ASP75A, ASP75B, ASP91B, CYS48B, GLN231A, GLN287A, GLN288A, GLN36A, GLN65A, GLN65B, GLU233A, GLU290A, GLU38A, GLU51A, GLU61A, GLU87B, GLY292A, GLY68A, GLY69A, GLY69B, GLY73B, GLY78A, GLY78B, GLY86B, ILE273A, ILE45B, ILE64A, ILE64B, ILE72B, ILE93B, ILE96B, LEU140A, LEU267A, LEU58A, LEU67A, LEU82B, LYS279A, LYS41A, LYS41B, LYS43B, LYS84B, LYS85B, PHE103B, PHE119B, PHE286A, PHE50B, PHE60A, PHE74B, PRO266A, PRO268A, PRO35A, PRO37A, SER47B, SER53A, SER59A, SER70A, SER70B, SER81B, SER92B, SER94B, SER97B, SER98B, THR275A, THR54A, THR56A, THR62A, THR80B, THR88B, TYR285A, TYR294A, TYR99B, VAL122B, VAL270A, VAL293A, VAL44B, VAL71A, VAL71B, VAL95B
• A-C: ALA100A, ALA102A, ALA289C, ALA46A, ALA52C, ALA63C, ALA77A, ALA77C, ALA83A, ALA90A, ARG106C, ARG229C, ARG269C, ARG296C, ARG55C, ARG57C, ARG66C, ASN121A, ASN291C, ASN42A, ASN76A, ASN76C, ASN79A, ASN79C, ASP101A, ASP271C, ASP278C, ASP75A, ASP75C, ASP91A, CYS48A, GLN231C, GLN287C, GLN288C, GLN36C, GLN65A, GLN65C, GLU118A, GLU290C, GLU38C, GLU51C, GLU61C, GLU87A, GLY292C, GLY68C, GLY69A, GLY69C, GLY73A, GLY78A, GLY78C, GLY86A, ILE273C, ILE45A, ILE64A, ILE64C, ILE72A, ILE93A, ILE96A, LEU140C, LEU267C, LEU58C, LEU67C, LEU82A, LEU89A, LYS232C, LYS279C, LYS41A, LYS41C, LYS43A, LYS84A, LYS85A, PHE103A, PHE119A, PHE286C, PHE50A, PHE60C, PHE74A, PHE74C, PRO266C, PRO268C, PRO35C, PRO37C, SER47A, SER53C, SER59C, SER70A, SER70C, SER81A, SER92A, SER94A, SER97A, SER98A, THR275C, THR54C, THR56C, THR62C, THR80A, THR80C, THR88A, TYR285C, TYR294C, TYR99A, VAL122A, VAL270C, VAL293C, VAL44A, VAL71A, VAL71C, VAL95A
• A-D: ALA112A, ALA113A, ALA116A, ALA83A, ALA90A, ARG114A, ARG167A, ASN110D, ASN112D, ASN126A, ASN132A, ASN132D, ASN14A, ASP129A, ASP15A, ASP200A, ASP91A, CYS108D, CYS113D, CYS137D, CYS140D, GLN109A, GLN133A, GLN174A, GLU110A, GLU118A, GLU118D, GLU141D, GLU201A, GLU204A, GLU87A, GLY111A, GLY117D, GLY130A, GLY86A, HIS107A, HIS116D, HIS170A, ILE114D, ILE13A, ILE93A, LEU115A, LEU89A, LYS127D, LYS130D, LYS136D, LYS138D, LYS142D, MET105A, PHE119A, PRO108A, PRO119D, PRO135A, SER111D, SER117A, SER123D, SER12A, SER131A, SER92A, THR115D, THR121D, THR129D, THR143D, THR88A, TYR139D, TYR197A, VAL11A, VAL120D
• A-E: ARG269A, ASP278A, GLU118E, LYS279A, PHE286A, PRO119E, THR275A, VAL120E
• B-C: ALA100C, ALA102C, ALA289B, ALA46C, ALA52B, ALA63B, ALA77C, ALA83C, ALA90C, ARG106B, ARG229B, ARG269B, ARG296B, ARG55B, ARG57B, ARG66B, ASN121C, ASN291B, ASN42C, ASN76B, ASN76C, ASN79B, ASN79C, ASP101C, ASP271B, ASP278B, ASP75B, ASP75C, ASP91C, CYS48C, GLN287B, GLN288B, GLN36B, GLN65B, GLN65C, GLU118C, GLU290B, GLU38B, GLU51B, GLU61B, GLU87C, GLY292B, GLY68B, GLY69B, GLY69C, GLY73C, GLY78B, GLY78C, GLY86C, ILE273B, ILE45C, ILE64B, ILE64C, ILE72C, ILE93C, ILE96C, LEU140B, LEU267B, LEU58B, LEU67B, LEU82C, LEU89C, LYS279B, LYS41B, LYS41C, LYS43C, LYS84C, LYS85C, PHE103C, PHE119C, PHE286B, PHE49B, PHE50C, PHE60B, PHE74C, PRO266B, PRO268B, PRO35B, PRO37B, SER47C, SER53B, SER59B, SER70B, SER70C, SER81C, SER92C, SER94C, SER97C, SER98C, THR275B, THR54B, THR56B, THR62B, THR80C, THR88C, TYR285B, TYR294B, TYR99C, VAL122C, VAL270B, VAL293B, VAL44C, VAL71B, VAL71C, VAL95C
• B-E: ALA112B, ALA113B, ALA116B, ALA83B, ALA90B, ARG114B, ARG167B, ASN110E, ASN112E, ASN126B, ASN132B, ASN14B, ASP129B, ASP15B, ASP91B, CYS108E, CYS113E, CYS137E, CYS140E, GLN109B, GLN133B, GLN174B, GLU110B, GLU118B, GLU118E, GLU141E, GLU201B, GLU87B, GLY111B, GLY117E, GLY130B, GLY86B, HIS107B, HIS116E, ILE114E, ILE13B, ILE93B, LEU115B, LEU89B, LYS136E, LYS138E, LYS142E, MET105B, PHE119B, PRO108B, PRO119E, SER111E, SER117B, SER123E, SER12B, SER131B, SER92B, THR115E, THR121E, THR143E, THR88B, TYR139E, TYR165B, TYR197B, VAL11B, VAL120E
• B-F: ARG269B, ASP278B, LYS279B, PHE286B, PRO119F, THR275B, VAL120F
• C-D: ARG269C, ASP278C, GLU118D, LYS279C, PHE286C, PRO119D, THR275C, VAL120D
• C-F: ALA112C, ALA113C, ALA116C, ALA83C, ALA90C, ARG114C, ARG167C, ASN110F, ASN112F, ASN126C, ASN132C, ASN14C, ASP129C, ASP15C, ASP91C, CYS108F, CYS113F, CYS137F, CYS140F, GLN109C, GLN133C, GLN174C, GLU110C, GLU118C, GLU118F, GLU141F, GLU87C, GLY111C, GLY117F, GLY130C, GLY86C, HIS107C, HIS116F, HIS170C, ILE114F, ILE13C, ILE93C, LEU115C, LEU89C, LYS136F, LYS138F, LYS142F, MET105C, PHE119C, PRO108C, PRO119F, SER111F, SER117C, SER123F, SER12C, SER131C, SER92C, THR115F, THR121F, THR143F, THR88C, TYR139F, TYR165C, TYR197C, VAL11C, VAL120F