SIMILAR PATTERNS OF AMINO ACIDS FOR 3O01_B_DXCB1

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.
1e7s GDP-FUCOSE
SYNTHETASE

(Escherichia
coli) 		PF01370
(Epimerase) 		5 ARG A 140
ILE A 110
ALA A 139
LEU A 129
ASN A 133
 None
 1.25A 3o01A-1e7sA:
0.0
3o01B-1e7sA:
0.0		 3o01A-1e7sA:
22.78
3o01B-1e7sA:
22.78
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.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 ILE A 155
LYS A 192
PHE A 195
ALA A  78
LEU A 152
 None
 1.19A 3o01A-1g68A:
0.0
3o01B-1g68A:
0.0		 3o01A-1g68A:
25.99
3o01B-1g68A:
25.99
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 ILE A 213
LYS A 225
ASN A 289
ALA A 292
LEU A 299
 None
 1.26A 3o01A-1j1uA:
0.0
3o01B-1j1uA:
0.1		 3o01A-1j1uA:
21.53
3o01B-1j1uA:
21.53
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 ARG A 519
ILE A 515
ASN A 520
ALA A 517
LEU A 496
 None
 1.46A 3o01A-1lshA:
0.0
3o01B-1lshA:
1.0		 3o01A-1lshA:
14.83
3o01B-1lshA:
14.83
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 ARG X 369
ILE X 394
ASN X 326
ALA X 367
LEU X 289
 None
 1.46A 3o01A-1mw9X:
1.3
3o01B-1mw9X:
0.0		 3o01A-1mw9X:
18.80
3o01B-1mw9X:
18.80
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.
1zzw DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00782
(DSPc) 		5 ARG A 442
ILE A 325
LYS A 441
ALA A 416
LEU A 423
 None
 1.44A 3o01A-1zzwA:
undetectable
3o01B-1zzwA:
undetectable		 3o01A-1zzwA:
18.53
3o01B-1zzwA:
18.53
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.
2fez PROBABLE REGULATORY
PROTEIN EMBR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C)
PF00498
(FHA)
PF03704
(BTAD) 		5 ILE A 318
ASN A 342
ALA A 330
LEU A 320
VAL A 350
 None
 1.24A 3o01A-2fezA:
undetectable
3o01B-2fezA:
0.0		 3o01A-2fezA:
21.53
3o01B-2fezA:
21.53
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.
2gwf RING FINGER PROTEIN
41

(Homo sapiens) 		PF08941
(USP8_interact) 		5 ILE B 242
ALA B 290
LEU B 246
ASN B 249
VAL B 301
 None
 1.39A 3o01A-2gwfB:
0.0
3o01B-2gwfB:
0.0		 3o01A-2gwfB:
21.77
3o01B-2gwfB:
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.
2oud DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00782
(DSPc) 		5 ARG A 442
ILE A 325
LYS A 441
ALA A 416
LEU A 423
 None
 1.45A 3o01A-2oudA:
0.0
3o01B-2oudA:
undetectable		 3o01A-2oudA:
19.43
3o01B-2oudA:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ym9 CELL INVASION
PROTEIN SIPD

(Salmonella
enterica) 		PF06511
(IpaD) 		5 ASN A 104
ALA A 108
LEU A 318
ASN A 321
VAL A 325
 None
 0.66A 3o01A-2ym9A:
32.8
3o01B-2ym9A:
33.7		 3o01A-2ym9A:
88.73
3o01B-2ym9A:
88.73
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.
3b64 MACROPHAGE MIGRATION
INHIBITORY
FACTOR-LIKE PROTEIN

(Leishmania
major) 		PF01187
(MIF) 		5 ILE A  95
PHE A  42
ASN A  18
ALA A  83
VAL A  22
 None
 1.43A 3o01A-3b64A:
2.0
3o01B-3b64A:
2.0		 3o01A-3b64A:
14.79
3o01B-3b64A:
14.79
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.
3fwu MACROPHAGE MIGRATION
INHIBITORY
FACTOR-LIKE PROTEIN

(Leishmania
major) 		PF01187
(MIF) 		5 ILE A  95
PHE A  42
ASN A  18
ALA A  83
VAL A  22
 None
 1.45A 3o01A-3fwuA:
2.0
3o01B-3fwuA:
undetectable		 3o01A-3fwuA:
15.11
3o01B-3fwuA:
15.11
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ARG A  10
ILE A  11
ALA A   9
LEU A 124
VAL A 131
 None
 1.15A 3o01A-3il4A:
undetectable
3o01B-3il4A:
undetectable		 3o01A-3il4A:
24.07
3o01B-3il4A:
24.07
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		5 ILE A 143
ALA A 309
LEU A 202
ASN A 205
VAL A 209
 None
 0.92A 3o01A-3n6xA:
undetectable
3o01B-3n6xA:
0.7		 3o01A-3n6xA:
21.54
3o01B-3n6xA:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o01 CELL INVASION
PROTEIN SIPD

(Salmonella
enterica) 		PF06511
(IpaD) 		5 ASN A 104
ALA A 108
LEU A 318
ASN A 321
VAL A 325
 None
 0.58A 3o01A-3o01A:
39.5
3o01B-3o01A:
34.5		 3o01A-3o01A:
100.00
3o01B-3o01A:
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ARG A1312
ASN A1267
ALA A1313
LEU A1341
VAL A1272
 None
 1.41A 3o01A-3ptaA:
undetectable
3o01B-3ptaA:
undetectable		 3o01A-3ptaA:
15.87
3o01B-3ptaA:
15.87
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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE

(Oryza sativa) 		PF00875
(DNA_photolyase) 		5 ARG A 297
ILE A 293
ALA A 299
LEU A 288
VAL A 171
 None
None
None
FAD  A 801 (-4.4A)
None
 1.22A 3o01A-3umvA:
0.0
3o01B-3umvA:
undetectable		 3o01A-3umvA:
21.71
3o01B-3umvA:
21.71
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.
3vac CFA/I FIMBRIAL
SUBUNIT E

(Escherichia
coli) 		PF07434
(CblD) 		5 ILE A 351
PHE A 211
ASN A 233
ASN A 348
VAL A 371
 None
 1.41A 3o01A-3vacA:
undetectable
3o01B-3vacA:
undetectable		 3o01A-3vacA:
21.08
3o01B-3vacA:
21.08
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.
3wdg UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF06106
(SAUGI) 		5 ILE B  78
ASN B  48
ALA B  32
LEU B  94
ASN B  96
 None
 1.17A 3o01A-3wdgB:
undetectable
3o01B-3wdgB:
undetectable		 3o01A-3wdgB:
15.91
3o01B-3wdgB:
15.91
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ILE A  96
PHE A  79
ASN A  49
ALA A  62
VAL A  47
 None
 1.17A 3o01A-3welA:
undetectable
3o01B-3welA:
undetectable		 3o01A-3welA:
16.30
3o01B-3welA:
16.30
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.
4iuk NREA PROTEIN

(Staphylococcus
carnosus) 		PF13185
(GAF_2) 		5 ARG A  21
ILE A  20
ASN A  51
ALA A  30
LEU A 144
 None
 1.28A 3o01A-4iukA:
undetectable
3o01B-4iukA:
undetectable		 3o01A-4iukA:
22.26
3o01B-4iukA:
22.26
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.
4jg5 PUTATIVE CELL
ADHESION PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		5 ARG A 107
ILE A 150
ASN A  72
ALA A 106
LEU A 163
 None
 1.17A 3o01A-4jg5A:
undetectable
3o01B-4jg5A:
undetectable		 3o01A-4jg5A:
21.71
3o01B-4jg5A:
21.71
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.
4krt AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25)
PF08239
(SH3_3) 		5 ARG A  70
ILE A 102
ALA A  71
LEU A 145
VAL A 108
 None
 1.49A 3o01A-4krtA:
undetectable
3o01B-4krtA:
undetectable		 3o01A-4krtA:
21.70
3o01B-4krtA:
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.
4krt AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25)
PF08239
(SH3_3) 		5 ILE A 102
ALA A  71
LEU A 145
ASN A 144
VAL A 108
 None
 1.43A 3o01A-4krtA:
undetectable
3o01B-4krtA:
undetectable		 3o01A-4krtA:
21.70
3o01B-4krtA:
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.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		5 ILE A 102
ASN A  72
LEU A 145
ASN A 144
VAL A 108
 None
 1.40A 3o01A-4kruA:
undetectable
3o01B-4kruA:
undetectable		 3o01A-4kruA:
21.12
3o01B-4kruA:
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.
4ljp E3 UBIQUITIN-PROTEIN
LIGASE RNF31

(Homo sapiens) 		no annotation 5 ARG A1069
ILE A1010
ALA A1012
LEU A 946
ASN A 949
 None
 1.46A 3o01A-4ljpA:
undetectable
3o01B-4ljpA:
undetectable		 3o01A-4ljpA:
19.75
3o01B-4ljpA:
19.75
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.
4nru RNA DEPENDENT RNA
POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		5 ARG A 405
ILE A 411
ALA A 448
LEU A 443
VAL A 485
 None
 1.34A 3o01A-4nruA:
undetectable
3o01B-4nruA:
undetectable		 3o01A-4nruA:
19.62
3o01B-4nruA:
19.62
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ARG A 126
ILE A 124
ASN A  60
ALA A 129
LEU A 150
 J1D  A 501 ( 4.1A)
None
J1D  A 501 (-3.1A)
None
EDO  A 508 (-3.2A)
 1.47A 3o01A-4pzvA:
undetectable
3o01B-4pzvA:
undetectable		 3o01A-4pzvA:
20.95
3o01B-4pzvA:
20.95
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ARG A1950
ILE A1953
ALA A1890
LEU A1928
VAL A1944
 None
 1.38A 3o01A-4r7yA:
undetectable
3o01B-4r7yA:
undetectable		 3o01A-4r7yA:
17.07
3o01B-4r7yA:
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.
4u06 LIC10831

(Leptospira
interrogans) 		PF12799
(LRR_4)
PF13855
(LRR_8) 		5 ILE A  65
ASN A  44
ALA A  41
LEU A  74
VAL A  48
 None
 1.43A 3o01A-4u06A:
undetectable
3o01B-4u06A:
undetectable		 3o01A-4u06A:
21.47
3o01B-4u06A:
21.47
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.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus) 		PF04055
(Radical_SAM) 		5 ILE B 220
ASN B 264
ALA B 266
LEU B 209
VAL B 274
 None
 1.50A 3o01A-4u0pB:
undetectable
3o01B-4u0pB:
undetectable		 3o01A-4u0pB:
21.79
3o01B-4u0pB:
21.79
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.
4xgu PUTATIVE PACHYTENE
CHECKPOINT PROTEIN 2

(Caenorhabditis
elegans) 		PF00004
(AAA) 		5 ARG A 419
ILE A 387
ALA A 415
LEU A 331
VAL A 394
 None
 1.45A 3o01A-4xguA:
undetectable
3o01B-4xguA:
undetectable		 3o01A-4xguA:
22.86
3o01B-4xguA:
22.86
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.
4xq2 CALE6

(Micromonospora
echinospora) 		PF01053
(Cys_Met_Meta_PP) 		5 ARG A 161
ILE A 128
ALA A 162
LEU A 122
VAL A 169
 None
 1.23A 3o01A-4xq2A:
undetectable
3o01B-4xq2A:
undetectable		 3o01A-4xq2A:
22.59
3o01B-4xq2A:
22.59
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 ILE A 432
ASN A 357
ALA A 407
LEU A 426
VAL A 445
 None
 1.48A 3o01A-5jcfA:
2.4
3o01B-5jcfA:
1.7		 3o01A-5jcfA:
18.40
3o01B-5jcfA:
18.40
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		5 ARG A   4
ASN A  11
ALA A   5
LEU A 203
VAL A  13
 None
 1.32A 3o01A-5m3qA:
undetectable
3o01B-5m3qA:
undetectable		 3o01A-5m3qA:
23.08
3o01B-5m3qA:
23.08
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ASN A 310
ALA A 323
LEU A 191
ASN A 316
VAL A 314
 None
 1.19A 3o01A-5m8jA:
undetectable
3o01B-5m8jA:
undetectable		 3o01A-5m8jA:
21.19
3o01B-5m8jA:
21.19
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.
5mb4 GLCNAC SPECIFIC
LECTIN

(Psathyrella) 		PF13517
(VCBS) 		5 ILE A 139
PHE A 195
ALA A 161
LEU A 155
ASN A 158
 None
NAG  A 508 ( 4.7A)
None
None
None
 1.27A 3o01A-5mb4A:
undetectable
3o01B-5mb4A:
undetectable		 3o01A-5mb4A:
22.51
3o01B-5mb4A:
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.
5t53 N-ACETYLTRANSFERASE
ESCO1

(Homo sapiens) 		PF13878
(zf-C2H2_3)
PF13880
(Acetyltransf_13) 		5 ARG A 786
ILE A 667
ALA A 784
LEU A 709
VAL A 774
 None
None
ACO  A 901 (-3.3A)
None
ACO  A 901 (-3.4A)
 1.49A 3o01A-5t53A:
1.5
3o01B-5t53A:
undetectable		 3o01A-5t53A:
20.25
3o01B-5t53A:
20.25
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.
5vrq ANKYRIN
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 ARG A 176
ILE A 173
ALA A 175
LEU A 170
VAL A 129
 None
 1.20A 3o01A-5vrqA:
undetectable
3o01B-5vrqA:
undetectable		 3o01A-5vrqA:
undetectable
3o01B-5vrqA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 ARG B 324
ILE B 325
ALA B 320
LEU B 415
VAL B  88
 None
 1.28A 3o01A-6evjB:
0.9
3o01B-6evjB:
1.0		 3o01A-6evjB:
undetectable
3o01B-6evjB:
undetectable