SIMILAR PATTERNS OF AMINO ACIDS FOR 4QDJ_A_SAMA301_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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 HIS A 133
ASP A  85
ASP A 365
TYR A 277
 None
 1.01A 4qdjA-1cemA:
undetectable		 4qdjA-1cemA:
19.21
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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		4 HIS A 198
ASP A  62
ASP A  88
TYR A 214
 None
 1.44A 4qdjA-1ehyA:
2.1		 4qdjA-1ehyA:
19.22
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.
1f8v MATURE CAPSID
PROTEIN BETA

(Pariacoto virus) 		PF01829
(Peptidase_A6) 		4 TYR A 135
ASP A  72
ASP A  68
TYR A 240
 None
 1.43A 4qdjA-1f8vA:
undetectable		 4qdjA-1f8vA:
21.62
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.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TYR A 256
HIS A 223
ASP A 321
TYR A 235
 None
 1.42A 4qdjA-1hqoA:
undetectable		 4qdjA-1hqoA:
20.30
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 HIS A 276
ASP A  43
ASP A  86
TYR A 146
 None
 1.44A 4qdjA-1i2dA:
1.6		 4qdjA-1i2dA:
17.25
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		4 HIS A 256
ASP A 229
ASP A 160
TYR A  73
 ZN  A 501 (-3.3A)
None
None
None
 0.97A 4qdjA-2anpA:
0.8		 4qdjA-2anpA:
21.68
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 TYR A 251
ASP A 290
ASP A 400
TYR A  10
 None
SUC  A2064 (-2.9A)
None
None
 1.40A 4qdjA-2gduA:
undetectable		 4qdjA-2gduA:
20.73
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.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 133
HIS A 313
ASP A 192
TYR A 248
 None
None
NA  A 371 (-2.5A)
None
 1.09A 4qdjA-3cyjA:
0.9		 4qdjA-3cyjA:
23.36
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 TYR A  26
ASP A  42
ASP A  68
TYR A  14
 None
SAH  A 308 ( 4.9A)
SAH  A 308 (-2.6A)
SAH  A 308 ( 4.6A)
 1.41A 4qdjA-3g5tA:
12.8		 4qdjA-3g5tA:
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A  66
HIS A 152
ASP A  74
ASP A  79
 None
 1.17A 4qdjA-3lewA:
undetectable		 4qdjA-3lewA:
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		4 TYR A 241
HIS A 245
ASP A  30
ASP A  23
 None
None
CA  A 400 (-2.3A)
None
 1.40A 4qdjA-4kpnA:
2.7		 4qdjA-4kpnA:
21.16
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.
4p4g SHIKIMATE
5-DEHYDROGENASE AROE
(5-DEHYDROSHIKIMATE
REDUCTASE)

(Mycobacterium
tuberculosis) 		PF08501
(Shikimate_dh_N) 		4 TYR A 215
HIS A  17
ASP A 105
ASP A 102
 SKM  A 301 (-4.5A)
None
SKM  A 301 (-2.8A)
None
 1.50A 4qdjA-4p4gA:
5.7		 4qdjA-4p4gA:
25.25
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.
4pyh PHOSPHOGLUCAN
PHOSPHATASE DSP4,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00782
(DSPc)
PF16561
(AMPK1_CBM) 		4 TYR A  90
HIS A  92
ASP A 166
ASP A 171
 None
None
GLC  A 402 ( 2.7A)
GOL  A 409 (-2.6A)
 1.45A 4qdjA-4pyhA:
undetectable		 4qdjA-4pyhA:
24.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 TYR A  28
HIS A  44
ASP A  91
ASP A 120
TYR A 140
 SAH  A 301 (-4.4A)
SAH  A 301 (-3.7A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.6A)
 0.11A 4qdjA-4qdkA:
39.3		 4qdjA-4qdkA:
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.
4qma CYSTEINE DIOXYGENASE
TYPE I

(Cupriavidus
pinatubonensis) 		PF05995
(CDO_I) 		4 TYR A 164
HIS A 162
ASP A 145
TYR A 176
 OXY  A 302 (-4.9A)
None
None
None
 1.34A 4qdjA-4qmaA:
undetectable		 4qdjA-4qmaA:
23.53
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.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		4 HIS A 541
ASP A  99
ASP A 123
TYR A 193
 None
 1.37A 4qdjA-5dgoA:
2.7		 4qdjA-5dgoA:
17.09
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 4 TYR A 367
HIS A 365
ASP A 224
TYR A 324
 UDP  A 602 (-3.7A)
None
UDP  A 602 ( 3.2A)
None
 1.49A 4qdjA-5ndfA:
undetectable		 4qdjA-5ndfA:
17.07
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 4 TYR A 554
HIS A 530
ASP A 604
ASP A 465
 None
 1.34A 4qdjA-5y3jA:
undetectable		 4qdjA-5y3jA:
undetectable