SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '7PE'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		5 / 10 ALA A 551
ILE A 586
ASP A 608
LEU A 654
ILE A 663
 None
None
None
None
7PE  A   1 (-4.7A)
 0.98A 1yi4A-2zmcA:
23.2		 1yi4A-2zmcA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 SER A 114
ASP A  97
SER A  48
VAL A  50
 7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
7PE  A 502 ( 4.5A)
None
 0.99A 2hdnE-4r5oA:
undetectable
2hdnF-4r5oA:
undetectable
2hdnH-4r5oA:
undetectable		 2hdnE-4r5oA:
8.04
2hdnF-4r5oA:
22.39
2hdnH-4r5oA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_H_TACH4888_1
(ELONGATION FACTOR
EF-TU)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 SER A  48
VAL A  50
SER A 114
ASP A  97
 7PE  A 502 ( 4.5A)
None
7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
 1.00A 2hdnF-4r5oA:
undetectable
2hdnG-4r5oA:
undetectable
2hdnH-4r5oA:
undetectable		 2hdnF-4r5oA:
22.39
2hdnG-4r5oA:
8.04
2hdnH-4r5oA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 6 SER A 114
ASP A  97
SER A  48
VAL A  50
 7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
7PE  A 502 ( 4.5A)
None
 0.98A 2hdnI-4r5oA:
undetectable
2hdnJ-4r5oA:
undetectable
2hdnL-4r5oA:
undetectable		 2hdnI-4r5oA:
8.04
2hdnJ-4r5oA:
22.39
2hdnL-4r5oA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 6 SER A  48
VAL A  50
SER A 114
ASP A  97
 7PE  A 502 ( 4.5A)
None
7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
 1.03A 2hdnJ-4r5oA:
undetectable
2hdnK-4r5oA:
undetectable
2hdnL-4r5oA:
undetectable		 2hdnJ-4r5oA:
22.39
2hdnK-4r5oA:
8.04
2hdnL-4r5oA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 GLN A  49
ILE A  90
SER A  48
CYH A  94
 None
None
7PE  A 502 ( 4.5A)
None
 1.35A 2xz5D-4r5oA:
undetectable
2xz5E-4r5oA:
undetectable		 2xz5D-4r5oA:
18.33
2xz5E-4r5oA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		4 / 6 VAL A 539
LYS A 553
LEU A 654
ASP A 664
 None
7PE  A   1 (-2.6A)
None
None
 0.78A 3cs9D-2zmcA:
21.7		 3cs9D-2zmcA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 10 ILE A 360
ILE A 361
GLY A 351
PRO A 339
LEU A 407
 None
None
7PE  A 503 ( 3.8A)
None
None
 1.42A 3elzB-4r5oA:
undetectable		 3elzB-4r5oA:
17.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FGR_B_ACTB21_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM)		 3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM
(Mus
musculus) 		4 / 4 ARG B 469
ASP B 488
ASP B 492
PRO B 493
 7PE  B 607 (-3.4A)
None
7PE  B 607 ( 4.1A)
None
 0.15A 3fgrB-3fgtB:
58.4		 3fgrB-3fgtB:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_1
(P38A)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		6 / 12 GLY A 532
VAL A 539
ALA A 551
LYS A 553
ILE A 586
LEU A 654
 None
None
None
7PE  A   1 (-2.6A)
None
None
 1.07A 3ohtA-2zmcA:
6.5		 3ohtA-2zmcA:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_1
(P38A)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		6 / 12 GLY A 532
VAL A 539
ALA A 551
LYS A 553
LEU A 575
ILE A 586
 None
None
None
7PE  A   1 (-2.6A)
None
None
 0.78A 3ohtA-2zmcA:
6.5		 3ohtA-2zmcA:
28.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		4 / 8 VAL A 539
LYS A 553
ILE A 586
ILE A 663
 None
7PE  A   1 (-2.6A)
None
7PE  A   1 (-4.7A)
 0.65A 3warA-2zmcA:
21.1		 3warA-2zmcA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		6 / 12 VAL A 539
ALA A 551
ILE A 586
MET A 600
LEU A 654
ASP A 664
 None
None
None
7PE  A   1 (-3.4A)
None
None
 0.79A 4bkjA-2zmcA:
22.7		 4bkjA-2zmcA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		6 / 12 VAL A 539
ALA A 551
ILE A 586
MET A 600
LEU A 654
ASP A 664
 None
None
None
7PE  A   1 (-3.4A)
None
None
 0.70A 4bkjB-2zmcA:
22.7		 4bkjB-2zmcA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		6 / 11 VAL A 539
ALA A 551
LYS A 553
ASP A 608
LEU A 654
ILE A 663
 None
None
7PE  A   1 (-2.6A)
None
None
7PE  A   1 (-4.7A)
 0.76A 4iaaA-2zmcA:
22.9		 4iaaA-2zmcA:
26.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		4 / 8 ALA A 668
GLU A 571
ILE A 572
ILE A 593
 7PE  A   1 ( 4.0A)
7PE  A   1 (-3.7A)
None
None
 0.91A 4kttB-2zmcA:
undetectable		 4kttB-2zmcA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		5 / 7 VAL A 539
ALA A 551
MET A 602
ASP A 608
LEU A 654
 None
None
7PE  A   1 ( 4.3A)
None
None
 0.96A 4l9iA-2zmcA:
8.7		 4l9iA-2zmcA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		6 / 8 GLY A 534
VAL A 539
ALA A 551
LYS A 553
MET A 602
ASP A 608
 None
None
None
7PE  A   1 (-2.6A)
7PE  A   1 ( 4.3A)
None
 0.79A 4l9iB-2zmcA:
21.9		 4l9iB-2zmcA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		5 / 8 VAL A 539
ALA A 551
MET A 602
ASP A 608
LEU A 654
 None
None
7PE  A   1 ( 4.3A)
None
None
 1.04A 4l9iB-2zmcA:
21.9		 4l9iB-2zmcA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ARG A 227
GLY A 225
TYR A 248
ASN A 166
LEU A 177
 None
None
7PE  A 503 (-4.6A)
7PE  A 503 (-4.3A)
None
 1.36A 5lsuA-4r5oA:
undetectable		 5lsuA-4r5oA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ARG A 227
GLY A 225
TYR A 248
ASN A 166
LEU A 177
 None
None
7PE  A 503 (-4.6A)
7PE  A 503 (-4.3A)
None
 1.26A 5lsuB-4r5oA:
undetectable		 5lsuB-4r5oA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		5 / 10 GLY A 532
VAL A 539
ALA A 551
ILE A 586
MET A 602
 None
None
None
None
7PE  A   1 ( 4.3A)
 0.82A 5lw1E-2zmcA:
23.0		 5lw1E-2zmcA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK
(Homo
sapiens) 		4 / 7 VAL A 539
LYS A 553
ILE A 586
ILE A 663
 None
7PE  A   1 (-2.6A)
None
7PE  A   1 (-4.7A)
 0.59A 5ywmX-2zmcA:
21.0		 5ywmX-2zmcA:
13.05