3U5M

crystal structure of trim33 phd-bromo in the free state

• Total interactions analyzed: 66
• Total true interactions: 26
• Strongest Interaction:
  • Chains: A-L
  • Int. Res.: 42
  • Norm. En. per Res.: -2.7147
• 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-D	0.0	14.222	-3.4993	10.7227	11	0	0	384	0	4	8
A-E	0.0	0.0	-2.2238	-2.2238	17	0	0	331	0	6	6
A-F	0.0	0.0	-6.4977	-6.4977	30	0	0	727	0	4	23
A-G	0.0	0.0	-0.4909	-0.4909	12	0	0	96	0	1	0
A-L	-26.5245	11.8391	-99.3304	-114.0158	42	5	0	3673	2	13	15
B-C	0.0	0.0	-2.3261	-2.3261	20	0	0	356	0	3	6
B-D	0.0	0.0	-0.2138	-0.2138	8	0	0	66	0	1	0
B-E	0.0	0.0	-5.3959	-5.3959	25	0	0	582	0	4	21
B-H	0.0	18.4147	-0.5594	17.8553	13	2	0	458	0	4	8
B-J	-30.3806	13.7507	-89.5281	-106.158	42	7	0	3649	1	13	15
C-H	-29.1292	18.2828	-97.6071	-108.4535	41	6	0	3614	1	12	15
C-I	0.0	0.0	-7.5115	-7.5115	26	0	0	666	0	4	20
C-J	0.0	10.0991	-0.7274	9.3717	11	0	0	162	0	2	7
C-K	0.0	0.0	-0.2376	-0.2376	8	0	0	56	0	1	0
D-E	-20.6679	28.4278	-95.0704	-87.3105	41	8	0	3627	1	13	14
D-J	-7.4514	-7.9502	-61.2798	-76.6814	38	4	3	3390	1	13	18
D-K	0.0	0.0	-4.6112	-4.6112	25	0	0	535	0	4	18
E-J	0.0	0.0	-0.2451	-0.2451	9	0	0	53	0	1	0
E-L	0.0	13.8996	-2.1699	11.7297	15	0	0	311	0	6	10
F-G	-15.9996	10.4097	-90.1493	-95.7391	40	3	0	3561	1	14	17
F-L	0.0	0.0	-0.2582	-0.2582	10	0	0	67	0	1	0
G-J	0.0	0.0	-8.2626	-8.2626	28	0	0	692	0	4	20
G-L	0.0	-1.2617	-50.0157	-51.2774	40	3	3	2992	0	12	18
H-I	0.0	0.0	-0.1948	-0.1948	8	0	0	58	0	0	0
H-K	0.0	-1.6582	-59.7846	-61.4428	41	3	3	3316	0	13	19
I-K	-19.0555	7.3133	-100.334	-112.0762	43	5	0	3658	1	12	15

Interface residues

• A-D: ALA1068A, ALA1068D, ASP1075A, ASP1075D, GLN1064A, GLN1064D, GLU1036A, LEU1071A, LEU1071D, LYS1067A, LYS1067D
• A-E: CYS905E, GLU1079A, GLU1079E, GLU887A, GLU887E, LYS1076A, LYS1076E, LYS907A, LYS907E, PRO885A, PRO885E, PRO906A, PRO906E, TYR1072A, TYR1072E, TYR972A, TYR972E
• A-F: ALA988A, ALA988F, ASP942A, ASP942F, CYS943A, CYS943F, GLN1011F, GLN1016A, GLN1016F, GLU984A, GLU984F, HIS1014A, HIS1014F, LEU919A, LEU919F, LYS1008A, LYS1008F, LYS1013A, LYS1013F, PRO985A, PRO985F, PRO987A, PRO987F, SER1004A, SER1004F, SER1015A, SER1015F, SER920A, THR1005A, THR1005F
• A-G: ALA955G, ASN895A, CYS893A, GLN1019G, GLN894A, GLN956G, GLU1061A, GLU977A, GLU981A, ILE1020G, ILE980A, LEU978A
• A-L: ALA1087L, ARG1029L, ARG1084L, ASN886A, ASP1022L, ASP1083L, ASP888A, ASP898A, ASP925A, ASP962L, CYS901A, CYS902A, GLU887A, GLU903A, GLY896A, GLY897A, GLY924A, GLY935L, ILE1020L, ILE1080L, ILE927A, ILE934L, LEU899A, LEU900A, LEU911A, LEU918A, LYS965L, PHE1086L, PHE909A, PHE921A, PRO1021L, PRO922A, SER1082L, SER920A, SER923A, SER959L, THR1078L, THR1085L, TRP926A, TYR1081L, VAL908A, VAL961L
• B-C: ASP1075C, CYS905C, GLU1079B, GLU1079C, GLU887B, GLU887C, LYS1076B, LYS1076C, LYS904B, LYS904C, LYS907B, LYS907C, PRO885B, PRO885C, PRO906B, PRO906C, TYR1072B, TYR1072C, TYR972B, TYR972C
• B-D: ASN895B, GLN1019D, GLN894B, GLN956D, GLU1061B, GLU981B, ILE1020D, ILE980B
• B-E: ALA988B, ALA988E, ASP942B, GLN1011B, GLN1011E, GLN1016B, GLN1016E, GLU984B, GLU984E, HIS1014B, HIS1014E, LEU919B, LEU919E, LYS1008B, LYS1008E, LYS1013B, LYS1013E, PRO985B, PRO985E, PRO987B, PRO987E, SER1004E, SER1015B, SER1015E, THR1005B
• B-H: ALA1068B, ALA1068H, ASP1075B, ASP1075H, GLN1064B, GLN1064H, GLU1036B, GLU1036H, LEU1071B, LEU1071H, LYS1043H, LYS1067B, LYS1067H
• B-J: ALA1087J, ARG1029J, ARG1084J, ASN886B, ASP1022J, ASP1083J, ASP888B, ASP898B, ASP925B, ASP962J, CYS901B, CYS902B, GLU887B, GLU903B, GLY896B, GLY897B, GLY924B, GLY935J, ILE1020J, ILE1080J, ILE927B, ILE934J, LEU899B, LEU900B, LEU911B, LEU918B, LYS965J, PHE1086J, PHE909B, PHE921B, PRO1021J, PRO922B, SER1082J, SER920B, SER923B, SER959J, THR1078J, THR1085J, TRP926B, TYR1081J, VAL908B, VAL961J
• C-H: ALA1087H, ARG1029H, ARG1084H, ASN886C, ASP1022H, ASP1083H, ASP888C, ASP898C, ASP925C, ASP962H, CYS901C, CYS902C, GLU887C, GLU903C, GLY896C, GLY897C, GLY924C, GLY935H, ILE1020H, ILE1080H, ILE927C, ILE934H, LEU899C, LEU900C, LEU911C, LEU918C, LYS965H, PHE1086H, PHE909C, PHE921C, PRO1021H, PRO922C, SER1082H, SER920C, SER923C, THR1078H, THR1085H, TRP926C, TYR1081H, VAL908C, VAL961H
• C-I: ALA988C, ALA988I, GLN1011C, GLN1011I, GLN1016C, GLN1016I, GLU984C, GLU984I, HIS1014C, HIS1014I, LEU919C, LEU919I, LYS1008C, LYS1008I, LYS1013C, LYS1013I, PRO985C, PRO985I, PRO987C, PRO987I, SER1004C, SER1004I, SER1015C, SER1015I, THR1005C, THR1005I
• C-J: ASP1075C, ASP1075J, GLN1064C, GLN1064J, GLU1036C, GLU1036J, LEU1071C, LEU1071J, LYS1043J, LYS1067C, LYS1067J
• C-K: ALA955K, ASN895C, GLN1019K, GLN956K, GLU1061C, GLU981C, ILE1020K, ILE980C
• D-E: ALA1087D, ARG1084D, ASN886E, ASP1022D, ASP1083D, ASP888E, ASP898E, ASP925E, ASP962D, CYS901E, CYS902E, GLU887E, GLU903E, GLY896E, GLY897E, GLY924E, GLY935D, HIS910E, ILE1020D, ILE1080D, ILE927E, ILE934D, LEU899E, LEU900E, LEU911E, LEU918E, LYS965D, PHE1086D, PHE909E, PHE921E, PRO1021D, PRO922E, SER1082D, SER920E, SER923E, THR1078D, THR1085D, TRP926E, TYR1081D, VAL908E, VAL961D
• D-J: ARG1037D, ARG1037J, ASN1034J, ASN992D, ASN992J, GLN1046D, GLN1046J, GLU1036D, GLU1036J, GLU1040D, GLU1040J, ILE996D, ILE996J, ILE997D, ILE997J, LYS1033D, LYS1033J, LYS1043D, LYS1043J, LYS995D, LYS995J, LYS998D, LYS998J, LYS999D, MET1041D, MET1041J, MET1042D, MET1042J, PHE1038D, PHE1038J, PRO991D, PRO991J, TYR993D, TYR993J, VAL1044D, VAL1044J, VAL1045D, VAL1045J
• D-K: ALA988D, ALA988K, ASP942D, GLN1011D, GLN1016D, GLN1016K, GLU984D, GLU984K, HIS1014D, HIS1014K, LEU919D, LEU919K, LYS1008D, LYS1008K, LYS1013D, LYS1013K, PRO985D, PRO985K, PRO987D, PRO987K, SER1004D, SER1015D, SER1015K, THR1005D, THR1005K
• E-J: ASN895E, GLN1019J, GLN956J, GLU1061E, GLU981E, ILE1020J, ILE980E, LEU978E, VAL1062E
• E-L: ALA1068E, ALA1068L, ASP1059L, ASP1075E, ASP1075L, GLN1064E, GLN1064L, GLU1036E, GLU1036L, LEU1071E, LEU1071L, LYS1043E, LYS1043L, LYS1067E, LYS1067L
• F-G: ALA1087G, ARG1084G, ASN886F, ASP1022G, ASP1083G, ASP888F, ASP898F, ASP925F, ASP962G, CYS901F, CYS902F, GLU887F, GLU903F, GLY896F, GLY897F, GLY924F, GLY935G, ILE1020G, ILE1080G, ILE927F, ILE934G, LEU899F, LEU900F, LEU911F, LEU918F, LYS965G, PHE1086G, PHE909F, PHE921F, PRO1021G, PRO922F, SER1082G, SER920F, SER923F, THR1078G, THR1085G, TRP926F, TYR1081G, VAL908F, VAL961G
• F-L: ALA955L, ASN895F, GLN1019L, GLN956L, GLU1061F, GLU977F, GLU981F, ILE1020L, ILE980F, LEU978F
• G-J: ALA988G, ALA988J, ASP942G, CYS943G, GLN1011G, GLN1011J, GLN1016G, GLN1016J, GLU984G, GLU984J, HIS1014G, HIS1014J, LEU919G, LEU919J, LYS1008G, LYS1008J, LYS1013G, LYS1013J, PRO985G, PRO985J, PRO987G, PRO987J, SER1004G, SER1004J, SER1015G, SER1015J, THR1005G, THR1005J
• G-L: ARG1037G, ARG1037L, ASN1034G, ASN1034L, ASN992G, ASN992L, GLN1046G, GLN1046L, GLU1036G, GLU1036L, GLU1040G, GLU1040L, ILE996G, ILE996L, ILE997G, ILE997L, LYS1033G, LYS1043G, LYS1043L, LYS995G, LYS995L, LYS998G, LYS998L, LYS999G, MET1041G, MET1041L, MET1042G, MET1042L, PHE1038G, PHE1038L, PRO991G, PRO991L, TYR993G, TYR993L, TYR994G, TYR994L, VAL1044G, VAL1044L, VAL1045G, VAL1045L
• H-I: ASN895I, GLN1019H, GLN956H, GLU981I, ILE1020H, ILE980I, LEU978I, VAL1062I
• H-K: ARG1037H, ARG1037K, ASN1034H, ASN1034K, ASN992H, ASN992K, GLN1046H, GLN1046K, GLU1036H, GLU1036K, GLU1040H, GLU1040K, ILE996H, ILE996K, ILE997H, ILE997K, LYS1033H, LYS1033K, LYS1043H, LYS1043K, LYS995H, LYS995K, LYS998H, LYS998K, LYS999H, LYS999K, MET1041H, MET1041K, MET1042H, MET1042K, PHE1038H, PHE1038K, PRO991H, PRO991K, TYR993H, TYR993K, TYR994H, VAL1044H, VAL1044K, VAL1045H, VAL1045K
• I-K: ALA1087K, ARG1029K, ARG1084K, ASN886I, ASP1022K, ASP1083K, ASP888I, ASP898I, ASP925I, ASP962K, CYS901I, CYS902I, GLU1079K, GLU887I, GLU903I, GLY896I, GLY897I, GLY924I, GLY935K, ILE1020K, ILE1080K, ILE927I, ILE934K, LEU899I, LEU900I, LEU911I, LYS965K, PHE1086K, PHE909I, PHE921I, PRO1021K, PRO922I, SER1082K, SER920I, SER923I, SER959K, THR1078K, THR1085K, TRP889I, TRP926I, TYR1081K, VAL908I, VAL961K