SIMILAR PATTERNS OF AMINO ACIDS FOR 4DRI_A_RAPA201_2

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 LEU A 647
SER A 646
TRP A 640
ASP A 623
TYR A 639
 None
 1.41A 4driB-1clwA:
undetectable		 4driB-1clwA:
10.80
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.
1dy2 COLLAGEN ALPHA1(XV)
CHAIN

(Mus musculus) 		PF06482
(Endostatin) 		5 LEU A 122
SER A 124
ARG A 201
THR A 212
ASP A  98
 None
 1.47A 4driB-1dy2A:
undetectable		 4driB-1dy2A:
19.10
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		5 LEU A 121
SER A 165
ARG A 123
THR A 138
TRP A 144
 None
 1.32A 4driB-1ks5A:
undetectable		 4driB-1ks5A:
15.49
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02964
(MeMO_Hyd_G) 		5 LEU G  60
THR G  11
TRP G  15
ASP G  52
TYR G  53
 None
 1.49A 4driB-1mtyG:
1.5		 4driB-1mtyG:
21.43
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.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 212
SER A 163
ARG A 253
PHE A 166
ASP A 276
 NDP  A 701 (-4.9A)
GDR  A 801 (-3.5A)
GDR  A 801 (-3.4A)
None
None
 1.46A 4driB-1n7gA:
0.0		 4driB-1n7gA:
13.21
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.
1t6r PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1442

(Thermotoga
maritima) 		PF01740
(STAS) 		5 LEU A  65
ARG A  36
PHE A  38
ASP A  50
PHE A 101
 None
 1.47A 4driB-1t6rA:
undetectable		 4driB-1t6rA:
20.34
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.
1xt0 GUANINE NUCLEOTIDE
EXCHANGE PROTEIN

(Legionella
pneumophila) 		PF01369
(Sec7) 		5 LEU B 183
GLU B 182
SER B 185
THR B 158
ASP B 160
 None
 1.47A 4driB-1xt0B:
1.2		 4driB-1xt0B:
18.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2npu FKBP12-RAPAMYCIN
COMPLEX-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF08771
(FRB_dom) 		6 LEU A2031
GLU A2032
SER A2035
THR A2098
TRP A2101
ASP A2102
 None
 0.91A 4driB-2npuA:
13.5		 4driB-2npuA:
91.26
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.
2o42 M11L PROTEIN

(Myxoma virus) 		PF11099
(M11L) 		5 LEU A   5
SER A   3
THR A  22
ASP A  11
TYR A  10
 None
 1.26A 4driB-2o42A:
0.0		 4driB-2o42A:
18.92
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.
3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00168
(C2) 		5 LEU A 244
ARG A 124
THR A 163
TRP A 172
PHE A 189
 None
 1.35A 4driB-3b7yA:
undetectable		 4driB-3b7yA:
19.46
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.
3hhr HUMAN GROWTH HORMONE
RECEPTOR (HGHBP)

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		5 LEU B  66
GLU B  82
THR B  51
TRP B  50
PHE B  67
 None
 1.42A 4driB-3hhrB:
undetectable		 4driB-3hhrB:
19.68
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.
3o44 HEMOLYSIN

(Vibrio cholerae) 		PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec) 		5 LEU A 188
GLU A 189
THR A 396
TRP A 450
ASP A 451
 None
 1.18A 4driB-3o44A:
undetectable		 4driB-3o44A:
9.41
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 LEU A 363
ARG A 368
THR A 320
ASP A 314
PHE A 306
 None
None
None
CA  A 447 (-3.7A)
None
 1.33A 4driB-3u0kA:
0.0		 4driB-3u0kA:
13.08
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.
4chj IMC SUB-COMPARTMENT
PROTEIN ISP3

(Toxoplasma
gondii) 		no annotation 5 LEU A 144
GLU A 147
THR A 135
ASP A 136
PHE A 143
 None
 1.31A 4driB-4chjA:
undetectable		 4driB-4chjA:
23.33
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.
4fay MICROCOMPARTMENTS
PROTEIN

(Lactobacillus
reuteri) 		PF00936
(BMC) 		5 LEU A 112
ARG A 117
PHE A 119
THR A  55
ASP A  22
 None
None
None
GOL  A 304 (-4.6A)
None
 0.82A 4driB-4fayA:
1.5		 4driB-4fayA:
12.86
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 403
THR A 378
ASP A 219
TYR A 400
PHE A 402
 None
 1.31A 4driB-4px9A:
0.0		 4driB-4px9A:
15.94
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.
4y5z IMMUNOGLOBULIN
G-BINDING PROTEIN
A,COAT PROTEIN

(Sesbania mosaic
virus;
Staphylococcus
aureus) 		no annotation 5 LEU A  98
GLU A  97
SER A  96
THR A 150
ASP A 149
 None
 1.46A 4driB-4y5zA:
undetectable		 4driB-4y5zA:
16.36
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.
5coc IMMUNOGLOBULIN
G-BINDING PROTEIN
A,CALMODULIN

(Homo sapiens;
Staphylococcus
aureus) 		PF02216
(B)
PF13499
(EF-hand_7) 		5 LEU A1070
ARG A1075
THR A1027
ASP A1021
PHE A1013
 None
None
None
CA  A1102 (-3.4A)
None
 1.44A 4driB-5cocA:
0.3		 4driB-5cocA:
19.55
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 403
THR A 378
ASP A 219
TYR A 400
PHE A 402
 None
 1.29A 4driB-5e7jA:
undetectable		 4driB-5e7jA:
13.53
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 LEU A2031
GLU A2032
SER A2035
PHE A2039
TRP A2101
 None
 0.93A 4driB-5h64A:
14.4		 4driB-5h64A:
7.93
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		6 LEU A2031
GLU A2032
SER A2035
THR A2098
TRP A2101
PHE A2108
 None
 0.90A 4driB-5h64A:
14.4		 4driB-5h64A:
7.93
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.
5jp2 F-BAR DOMAIN ONLY
PROTEIN 1

(Danio rerio) 		PF10291
(muHD) 		5 ARG A 937
THR A 914
ASP A 912
TYR A 999
PHE A 947
 None
 1.43A 4driB-5jp2A:
undetectable		 4driB-5jp2A:
17.14