SIMILAR PATTERNS OF AMINO ACIDS FOR 4RUJ_A_VDXA501

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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 VAL B2265
SER B2268
ILE B2252
ARG B2272
VAL C3071
 None
 1.40A 4rujA-1e6yB:
0.8		 4rujA-1e6yB:
20.14
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.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		5 VAL A 335
SER A 339
ILE A 301
SER A 300
HIS A 291
 None
 1.49A 4rujA-1gl6A:
0.0		 4rujA-1gl6A:
21.12
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.
1k2f SIAH-1A PROTEIN

(Mus musculus) 		PF03145
(Sina) 		5 ILE A 155
SER A 183
VAL A 144
HIS A 147
HIS A 152
 BME  A 550 (-4.9A)
None
None
ZN  A 601 (-3.0A)
ZN  A 601 (-3.2A)
 1.35A 4rujA-1k2fA:
undetectable		 4rujA-1k2fA:
20.59
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.
1ldm M4 LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  93
ILE A  23
SER A  89
SER A 128
VAL A  51
 None
 1.44A 4rujA-1ldmA:
0.0		 4rujA-1ldmA:
21.41
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 SER A 172
ARG A 166
SER A 362
HIS A 226
HIS A 114
 None
None
None
ZN  A 500 (-3.2A)
ZN  A 500 (-3.2A)
 1.49A 4rujA-1r3nA:
0.0		 4rujA-1r3nA:
19.74
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ILE A 572
SER A 582
TRP A 578
HIS A 513
HIS A 518
 None
None
None
None
FE2  A 858 ( 3.4A)
 1.49A 4rujA-1rrhA:
undetectable		 4rujA-1rrhA:
17.96
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.
1y8t HYPOTHETICAL PROTEIN
RV0983

(Mycobacterium
tuberculosis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 VAL A 183
SER A 185
ILE A 208
SER A  87
VAL A  91
 None
 1.47A 4rujA-1y8tA:
0.1		 4rujA-1y8tA:
22.92
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.
2dfe RIBONUCLEASE HII

(Thermococcus
kodakarensis) 		PF01351
(RNase_HII) 		5 VAL A  38
SER A  41
ILE A 146
ARG A  49
VAL A  59
 None
 1.41A 4rujA-2dfeA:
undetectable		 4rujA-2dfeA:
19.60
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 VAL A 213
SER A 211
ILE A 346
ARG A 214
VAL A 171
 None
 1.39A 4rujA-2dkhA:
undetectable		 4rujA-2dkhA:
18.56
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		5 VAL A 439
ARG A  20
SER A 467
VAL A 513
HIS A 511
 None
 1.47A 4rujA-2e0pA:
undetectable		 4rujA-2e0pA:
19.77
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.
2k1g LIPOPROTEIN SPR

(Escherichia
coli) 		PF00877
(NLPC_P60) 		5 SER A  61
ARG A  86
VAL A 130
HIS A 131
HIS A 119
 None
 1.42A 4rujA-2k1gA:
undetectable		 4rujA-2k1gA:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		12 TYR A 143
VAL A 230
SER A 233
ILE A 267
ARG A 270
SER A 271
SER A 274
TRP A 282
CYH A 284
VAL A 296
HIS A 301
HIS A 393
 VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.6A)
VD4  A 500 ( 2.8A)
VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.0A)
VD4  A 500 ( 3.9A)
VD4  A 500 ( 2.9A)
VD4  A 500 ( 3.7A)
VD4  A 500 ( 3.4A)
VD4  A 500 ( 4.4A)
VD4  A 500 ( 3.9A)
VD4  A 500 ( 3.9A)
 0.28A 4rujA-2o4jA:
39.0		 4rujA-2o4jA:
62.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		6 VAL A 230
SER A 271
SER A 274
TRP A 282
CYH A 284
HIS A 301
 VD4  A 500 ( 4.6A)
VD4  A 500 ( 3.9A)
VD4  A 500 ( 2.9A)
VD4  A 500 ( 3.7A)
VD4  A 500 ( 3.4A)
VD4  A 500 ( 3.9A)
 1.31A 4rujA-2o4jA:
39.0		 4rujA-2o4jA:
62.99
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.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		5 TYR A 376
VAL A 361
SER A 359
ILE A 276
VAL A 369
 None
C5P  A   1 (-4.8A)
C5P  A   1 (-2.6A)
C5P  A   1 (-4.0A)
None
 1.49A 4rujA-2zwiA:
undetectable		 4rujA-2zwiA:
20.97
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 VAL B 530
ILE B 523
ARG B 552
TRP B 509
VAL B 480
 None
 1.44A 4rujA-3a79B:
undetectable		 4rujA-3a79B:
20.76
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 SER A 272
SER A 231
SER A 198
HIS A 136
HIS A 134
 None
None
None
CU  A 701 (-3.2A)
CU  A 702 (-3.1A)
 1.32A 4rujA-3abgA:
undetectable		 4rujA-3abgA:
19.74
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 TYR A 803
VAL A 511
ARG A 528
SER A 515
TRP A 549
 None
 1.31A 4rujA-3ecqA:
undetectable		 4rujA-3ecqA:
10.71
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.
3h2y GTPASE FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01926
(MMR_HSR1) 		5 VAL A 231
SER A 235
ILE A 239
SER A 261
VAL A 359
 None
 1.42A 4rujA-3h2yA:
undetectable		 4rujA-3h2yA:
21.77
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.
3sub ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN

(Plasmodium
falciparum) 		PF01412
(ArfGap) 		5 TYR A 101
VAL A  35
SER A  34
CYH A  83
VAL A 117
 None
 1.48A 4rujA-3subA:
undetectable		 4rujA-3subA:
20.79
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 VAL B 572
SER B 586
ILE B 590
SER B 602
VAL B 505
 None
 1.41A 4rujA-3w0lB:
undetectable		 4rujA-3w0lB:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 TYR A 143
VAL A 234
SER A 237
ILE A 271
ARG A 274
SER A 275
SER A 278
TRP A 286
CYH A 288
VAL A 300
HIS A 305
HIS A 397
 ED9  A 501 (-3.7A)
None
ED9  A 501 (-2.7A)
ED9  A 501 (-4.5A)
ED9  A 501 (-2.9A)
ED9  A 501 (-3.9A)
ED9  A 501 (-2.7A)
ED9  A 501 (-3.5A)
ED9  A 501 (-3.4A)
ED9  A 501 (-4.5A)
ED9  A 501 (-3.9A)
ED9  A 501 (-3.9A)
 0.26A 4rujA-3wgpA:
37.4		 4rujA-3wgpA:
64.00
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.
4bzj PROTEIN TRANSPORT
PROTEIN SEC13

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 VAL B  59
SER B  74
SER B 101
TRP B  57
HIS B   8
 None
 1.48A 4rujA-4bzjB:
undetectable		 4rujA-4bzjB:
20.78
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.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 5 VAL A 225
SER A 198
SER A 159
CYH A 163
VAL A 246
 None
 1.25A 4rujA-4czxA:
undetectable		 4rujA-4czxA:
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.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		5 TYR A 379
VAL A 450
SER A 448
ILE A 232
SER A 442
 None
 1.50A 4rujA-4uopA:
undetectable		 4rujA-4uopA:
21.02
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 ILE A  52
CYH A 340
VAL A 392
HIS A 395
HIS A 101
 None
 1.48A 4rujA-4z43A:
undetectable		 4rujA-4z43A:
19.70
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.
4zbl PHOTOSESITIZER
MKILLERORANGE

(Hydrozoa) 		PF01353
(GFP) 		5 VAL A  30
ARG A 120
SER A 119
CYH A 116
VAL A  44
 None
None
None
None
4M9  A  65 ( 3.9A)
 1.43A 4rujA-4zblA:
undetectable		 4rujA-4zblA:
19.43
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 TYR A 803
VAL A 511
ARG A 528
SER A 515
TRP A 549
 None
 1.27A 4rujA-5a55A:
undetectable		 4rujA-5a55A:
13.41
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 VAL C 246
ILE C 271
SER C 273
SER C 299
HIS C 201
 None
None
None
None
KCX  C 220 ( 4.6A)
 1.33A 4rujA-5fseC:
undetectable		 4rujA-5fseC:
19.14
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 TYR A  93
VAL A  12
ILE A  82
SER A  99
VAL A  59
 None
 0.83A 4rujA-5hzgA:
undetectable		 4rujA-5hzgA:
21.88
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.
5l75 LIPOPOLYSACCHARIDE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
LPTB

(Klebsiella
pneumoniae) 		PF00005
(ABC_tran)
PF12399
(BCA_ABC_TP_C) 		5 VAL A 146
ILE A  89
ARG A 143
SER A  88
VAL A 102
 None
 1.45A 4rujA-5l75A:
undetectable		 4rujA-5l75A:
20.46
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.
5opz CHIX

(Serratia
marcescens) 		no annotation 5 VAL A  39
SER A  37
ILE A  95
SER A  15
VAL A  85
 None
 1.16A 4rujA-5opzA:
undetectable		 4rujA-5opzA:
13.85
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 5 TYR A 287
VAL A 292
ILE A 335
SER A 359
VAL A 311
 None
None
None
None
HFG  A 801 (-4.3A)
 1.30A 4rujA-5xioA:
undetectable		 4rujA-5xioA:
14.62
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 5 VAL A 140
ILE A  87
SER A  78
TRP A  85
VAL A 164
 None
 1.47A 4rujA-5zqjA:
undetectable		 4rujA-5zqjA:
12.97
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.
6ap6 PROBABLE
STRIGOLACTONE
ESTERASE DAD2

(Petunia x
hybrida) 		no annotation 5 TYR A  92
VAL A  11
ILE A  81
SER A  98
VAL A  58
 None
 0.83A 4rujA-6ap6A:
undetectable		 4rujA-6ap6A:
16.23
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.
6bms PALMITOYLTRANSFERASE

(Danio rerio) 		no annotation 5 VAL A 257
SER A 272
SER A 153
SER A  68
HIS A 218
 None
 1.48A 4rujA-6bmsA:
undetectable		 4rujA-6bmsA:
13.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 12 TYR A 175
VAL A 262
SER A 265
ILE A 299
ARG A 302
SER A 303
SER A 306
TRP A 314
CYH A 316
VAL A 328
HIS A 333
HIS A 423
 None
None
DZW  A 501 (-3.0A)
DZW  A 501 (-4.7A)
DZW  A 501 (-3.8A)
DZW  A 501 (-3.8A)
DZW  A 501 (-2.7A)
DZW  A 501 (-3.5A)
DZW  A 501 (-3.4A)
DZW  A 501 ( 4.3A)
DZW  A 501 (-3.9A)
DZW  A 501 (-4.0A)
 0.23A 4rujA-6fobA:
41.0		 4rujA-6fobA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 7 TYR A 175
VAL A 262
SER A 303
SER A 306
TRP A 314
CYH A 316
HIS A 333
 None
None
DZW  A 501 (-3.8A)
DZW  A 501 (-2.7A)
DZW  A 501 (-3.5A)
DZW  A 501 (-3.4A)
DZW  A 501 (-3.9A)
 1.32A 4rujA-6fobA:
41.0		 4rujA-6fobA:
100.00