SIMILAR PATTERNS OF AMINO ACIDS FOR 3I5U_A_SAMA401_1

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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		4 ASP A  87
SER A  85
PHE A 101
SER A  90
 None
 1.47A 3i5uA-1g0vA:
undetectable		 3i5uA-1g0vA:
21.72
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 294
SER A 347
PHE A 343
SER A 215
 None
 1.46A 3i5uA-2d5lA:
undetectable		 3i5uA-2d5lA:
21.03
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.
2x9o 15,16-DIHYDROBILIVER
DIN-FERREDOXIN
OXIDOREDUCTASE

(Synechococcus
sp. WH 8020) 		PF05996
(Fe_bilin_red) 		4 ASP A 205
SER A 201
PHE A 229
SER A 220
 None
 1.29A 3i5uA-2x9oA:
undetectable		 3i5uA-2x9oA:
19.34
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 ASP X 454
SER X 260
PHE X 239
SER X 236
 None
 1.43A 3i5uA-2y9eX:
0.2		 3i5uA-2y9eX:
16.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		4 ASP A 200
SER A 227
PHE A 228
SER A 242
 SAH  A 401 (-2.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.8A)
 0.14A 3i5uA-3i58A:
49.7		 3i5uA-3i58A:
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.
4ajt PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR

(Mus musculus) 		PF00079
(Serpin) 		4 ASP A 217
SER A  89
PHE A  86
SER A 144
 None
 1.24A 3i5uA-4ajtA:
0.0		 3i5uA-4ajtA:
20.00
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASP A 215
SER A 217
PHE A 321
SER A 284
 None
 1.47A 3i5uA-4bc5A:
0.2		 3i5uA-4bc5A:
22.51
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ASP C  42
SER C  27
PHE C  28
SER C  57
 None
 1.27A 3i5uA-4bujC:
0.0		 3i5uA-4bujC:
21.60
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 ASP M 727
SER M 691
PHE M 688
SER M 799
 None
 1.49A 3i5uA-4gq2M:
0.0		 3i5uA-4gq2M:
16.21
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		4 ASP A  39
SER A  43
PHE A1119
SER A1070
 None
 1.23A 3i5uA-4kf7A:
1.1		 3i5uA-4kf7A:
16.21
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 ASP A  80
SER A  98
PHE A 245
SER A  74
 X2X  A 402 ( 4.8A)
X2X  A 402 ( 4.5A)
X2X  A 402 (-4.7A)
None
 1.48A 3i5uA-4oanA:
undetectable		 3i5uA-4oanA:
24.54
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		4 ASP A 245
SER A 248
PHE A 247
SER A 241
 None
 1.45A 3i5uA-4r2bA:
undetectable		 3i5uA-4r2bA:
22.76
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.
4yis MEGANUCLEASE I-CPAMI

(Cryphonectria
parasitica) 		PF00961
(LAGLIDADG_1) 		4 ASP A 177
SER A 175
PHE A  14
SER A  20
 CA  A 301 ( 2.3A)
None
None
None
 1.38A 3i5uA-4yisA:
undetectable		 3i5uA-4yisA:
21.67
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.
5b0s LIN0857 PROTEIN

(Listeria
innocua) 		PF04041
(Glyco_hydro_130) 		4 ASP A  80
SER A  75
PHE A  76
SER A  93
 None
 1.49A 3i5uA-5b0sA:
undetectable		 3i5uA-5b0sA:
24.75
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.
5f2o FATTY ACID
O-METHYLTRANSFERASE

(Mycobacterium
marinum) 		PF03492
(Methyltransf_7) 		4 ASP A  98
SER A 133
PHE A 134
SER A 150
 SAH  A 400 (-2.8A)
SAH  A 400 (-3.0A)
SAH  A 400 (-3.3A)
SAH  A 400 (-2.7A)
 0.80A 3i5uA-5f2oA:
13.7		 3i5uA-5f2oA:
22.68
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 ASP A 136
SER A 214
PHE A 212
SER A  69
 None
 1.39A 3i5uA-5gw7A:
0.0		 3i5uA-5gw7A:
18.16
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 ASP A  89
SER A  87
PHE A 102
SER A  92
 None
 1.45A 3i5uA-5jodA:
undetectable		 3i5uA-5jodA:
21.70
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 4 ASP A  90
SER A  88
PHE A 110
SER A  93
 None
 1.49A 3i5uA-5ux4A:
undetectable		 3i5uA-5ux4A:
undetectable
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		4 ASP A 578
SER A 576
PHE A 577
SER A 558
 None
 1.44A 3i5uA-5wgxA:
2.3		 3i5uA-5wgxA:
19.76
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.
5wmb DNA REPAIR PROTEIN
REV1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 467
SER A 445
PHE A 448
SER A 507
 MG  A 801 (-2.2A)
EDO  A 811 (-3.0A)
None
None
 1.23A 3i5uA-5wmbA:
undetectable		 3i5uA-5wmbA:
20.17
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 ASP A  77
SER A 110
PHE A 101
SER A 315
 AG2  A 401 ( 4.7A)
None
None
AG2  A 401 (-3.1A)
 1.38A 3i5uA-6b2wA:
undetectable		 3i5uA-6b2wA:
undetectable
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.
6c8s LOGANIC ACID
O-METHYLTRANSFERASE

(Catharanthus
roseus) 		no annotation 4 ASP A 114
SER A 141
PHE A 142
SER A 158
 SAH  A 401 (-2.8A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.6A)
 0.88A 3i5uA-6c8sA:
13.7		 3i5uA-6c8sA:
undetectable