SIMILAR PATTERNS OF AMINO ACIDS FOR 5D0Y_B_FOLB201

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.
1avm SUPEROXIDE DISMUTASE

(Propionibacterium
freudenreichii) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 160
ASN A 149
PHE A 143
ASN A  74
HIS A 165
 None
None
None
None
FE  A 202 (-3.3A)
 1.47A 5d0yB-1avmA:
0.0		 5d0yB-1avmA:
19.72
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 LEU A 585
SER A 577
PHE A 574
ASN A 546
VAL A 524
 None
 1.35A 5d0yB-1ciyA:
2.4		 5d0yB-1ciyA:
14.09
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.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP

(Salmonella
enterica) 		PF00102
(Y_phosphatase)
PF03545
(YopE) 		5 LEU S 357
ASN S 402
THR S 430
VAL S 399
HIS S 480
 None
 1.25A 5d0yB-1g4uS:
0.7		 5d0yB-1g4uS:
18.35
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.
1qmn ALPHA-1-ANTICHYMOTRY
PSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 184
SER A  53
TYR A 138
ASN A 116
HIS A  93
 None
 1.04A 5d0yB-1qmnA:
0.0		 5d0yB-1qmnA:
19.36
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ASP A 194
SER A 196
ASN A 159
TYR A 217
ASN A 216
 None
 1.43A 5d0yB-2uy3A:
0.0		 5d0yB-2uy3A:
19.93
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.
2x60 MANNOSE-1-PHOSPHATE
GUANYLYLTRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		5 LEU A 187
SER A 237
PHE A 168
TYR A 151
VAL A 165
 None
 1.46A 5d0yB-2x60A:
undetectable		 5d0yB-2x60A:
19.64
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.
2yrp NUCLEAR FACTOR OF
ACTIVATED T-CELLS,
CYTOPLASMIC 4

(Homo sapiens) 		PF16179
(RHD_dimer) 		5 LEU A  62
GLN A  63
SER A  15
THR A  30
ASN A  65
 None
 1.43A 5d0yB-2yrpA:
undetectable		 5d0yB-2yrpA:
21.97
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.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		5 ASP A 261
SER A 223
PHE A 260
ASN A 251
VAL A 249
 None
 1.28A 5d0yB-3f6tA:
0.0		 5d0yB-3f6tA:
16.33
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.
3kd9 COENZYME A DISULFIDE
REDUCTASE

(Pyrococcus
horikoshii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 106
ASN A 265
TYR A 105
ASN A 274
VAL A 272
 None
 1.49A 5d0yB-3kd9A:
0.0		 5d0yB-3kd9A:
16.96
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.
3lnn MEMBRANE FUSION
PROTEIN (MFP) HEAVY
METAL CATION EFFLUX
ZNEB (CZCB-LIKE)

(Cupriavidus
metallidurans) 		PF00529
(HlyD)
PF16576
(HlyD_D23) 		5 ASN A  45
PHE A 280
THR A 229
TYR A 223
VAL A 259
 None
 1.29A 5d0yB-3lnnA:
1.1		 5d0yB-3lnnA:
20.60
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		5 SER A 487
PHE A 367
THR A 366
ASN A 293
VAL A 377
 None
HEC  A1007 (-4.3A)
None
None
HEC  A1008 ( 4.2A)
 1.43A 5d0yB-3s7wA:
undetectable		 5d0yB-3s7wA:
16.63
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 SER A 487
PHE A 367
THR A 366
ASN A 293
VAL A 377
 None
HEC  A1007 (-4.3A)
None
HEC  A1007 ( 4.8A)
HEC  A1008 (-4.3A)
 1.39A 5d0yB-3ttbA:
undetectable		 5d0yB-3ttbA:
15.57
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.
4gl0 LMO0810 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 LEU A 250
ASP A 156
PHE A 155
THR A 157
TYR A 252
 None
 1.49A 5d0yB-4gl0A:
undetectable		 5d0yB-4gl0A:
17.72
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.
4h5b DR_1245 PROTEIN

(Deinococcus
radiodurans) 		PF10722
(YbjN) 		5 LEU A 102
ASP A 120
PHE A 123
TYR A 104
VAL A  46
 None
 1.37A 5d0yB-4h5bA:
undetectable		 5d0yB-4h5bA:
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas sp.
C18;
Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 ASP A 361
SER A 215
ASN B 106
ASN B 188
VAL B 191
 None
None
None
None
EDO  B 201 (-4.5A)
 1.46A 5d0yB-4hjlA:
undetectable		 5d0yB-4hjlA:
19.56
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 LEU A 281
PHE A 254
TYR A 317
ASN A 320
VAL A 322
 None
 1.17A 5d0yB-4jclA:
undetectable		 5d0yB-4jclA:
15.33
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 ASN B  93
THR B 256
ASN B 143
VAL B 141
HIS B 213
 None
PYC  B 904 (-4.3A)
None
None
None
 1.33A 5d0yB-4k7gB:
undetectable		 5d0yB-4k7gB:
23.46
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.
4o8u UNCHARACTERIZED
PROTEIN PF2046

(Pyrococcus
furiosus) 		PF13680
(DUF4152) 		5 LEU A 178
ASP A  22
THR A  24
TYR A 220
ASN A 222
 None
 1.44A 5d0yB-4o8uA:
undetectable		 5d0yB-4o8uA:
21.83
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.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 LEU A 152
ASP A 237
SER A 239
ASN A 218
VAL A 306
 None
NA  A 400 (-2.3A)
None
None
None
 1.25A 5d0yB-4xaeA:
undetectable		 5d0yB-4xaeA:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z7f FOLATE ECF
TRANSPORTER

(Enterococcus
faecalis) 		PF12822
(ECF_trnsprt) 		5 LEU A  35
ASP A  64
PHE A  80
THR A  81
LYS A 145
 FOL  A 201 (-4.4A)
FOL  A 201 (-2.8A)
FOL  A 201 (-3.9A)
FOL  A 201 (-4.5A)
FOL  A 201 (-3.7A)
 0.80A 5d0yB-4z7fA:
22.9		 5d0yB-4z7fA:
33.66
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.
5cb2 PROTEIN SEY1

(Candida
albicans) 		PF05879
(RHD3) 		5 LEU A  78
ASP A  84
ASN A  82
PHE A  83
VAL A 121
 None
 1.11A 5d0yB-5cb2A:
3.7		 5d0yB-5cb2A:
13.11
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.
5fre EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF02973
(Sialidase) 		5 LEU A 109
ASN A 122
TYR A  65
VAL A  37
HIS A  93
 None
None
SIA  A 201 (-4.0A)
None
SIA  A 201 ( 4.8A)
 1.41A 5d0yB-5freA:
undetectable		 5d0yB-5freA:
21.80
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN

(Snake
atadenovirus A) 		PF01696
(Adeno_E1B_55K) 		5 LEU A 224
SER A 191
ASN A 214
PHE A 245
THR A 210
 None
 1.43A 5d0yB-5g5nA:
undetectable		 5d0yB-5g5nA:
21.33
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN

(Snake
atadenovirus A) 		PF01696
(Adeno_E1B_55K) 		5 LEU A 224
SER A 191
ASN A 214
PHE A 245
THR A 246
 None
 1.37A 5d0yB-5g5nA:
undetectable		 5d0yB-5g5nA:
21.33
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASP A 258
THR A 304
ASN A 316
VAL A 311
HIS A 264
 None
None
None
None
AHR  A 901 (-3.9A)
 1.46A 5d0yB-5opjA:
undetectable		 5d0yB-5opjA:
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 LEU A 306
SER A 322
THR A 298
TYR A 269
ASN A 304
 None
 1.20A 5d0yB-5xoyA:
undetectable		 5d0yB-5xoyA:
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 5 SER A 674
PHE A 930
THR A 924
VAL A 810
HIS A 917
 None
 1.24A 5d0yB-6bfuA:
undetectable		 5d0yB-6bfuA:
10.87
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 LEU B 441
GLN B 442
PHE B 466
THR B 469
HIS B  99
 None
 1.48A 5d0yB-6evjB:
undetectable		 5d0yB-6evjB:
undetectable