SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_F_W9TF504

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.
1aun PR-5D

(Nicotiana
tabacum) 		PF00314
(Thaumatin) 		4 VAL A   3
GLY A   2
TYR A 200
ASP A  95
 None
 1.39A 3w9tF-1aunA:
0.0		 3w9tF-1aunA:
18.76
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tF-1dgjA:
0.0		 3w9tF-1dgjA:
18.13
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.
1jyl CTP:PHOSPHOCHOLINE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00483
(NTP_transferase) 		4 VAL A 162
GLY A 161
TYR A 124
ASP A 192
 None
None
None
CDC  A1991 (-3.3A)
 1.30A 3w9tF-1jylA:
undetectable		 3w9tF-1jylA:
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 764
GLY A 873
TYR A 813
ASP A 869
 None
 1.27A 3w9tF-1kcwA:
0.0		 3w9tF-1kcwA:
17.10
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		4 VAL A 423
GLY A 420
TYR A 359
ASP A 360
 None
 1.25A 3w9tF-1kfwA:
undetectable		 3w9tF-1kfwA:
21.78
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.
1knl ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
lividans) 		PF00652
(Ricin_B_lectin) 		4 ASP A 101
VAL A 103
GLY A 104
TYR A 116
 None
 0.58A 3w9tF-1knlA:
19.0		 3w9tF-1knlA:
16.79
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 VAL A 211
GLY A 210
TYR A 213
ASP A 185
 None
 1.45A 3w9tF-1p2fA:
0.0		 3w9tF-1p2fA:
18.10
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 VAL A 245
GLY A 275
TYR A 247
ASP A 216
 None
 1.27A 3w9tF-1pe9A:
0.0		 3w9tF-1pe9A:
24.88
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		4 VAL A 137
GLY A 136
TYR A 186
ASP A 145
 None
 1.30A 3w9tF-1tjrA:
0.0		 3w9tF-1tjrA:
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.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		4 ASP A 408
VAL A 410
GLY A 411
TYR A 423
 XYP  A 471 (-2.8A)
XYP  A 471 (-4.5A)
XYP  A 471 (-3.5A)
XYP  A 471 (-3.5A)
 0.48A 3w9tF-1v6uA:
18.8		 3w9tF-1v6uA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 ASP A  23
VAL A  25
GLY A  26
TYR A  36
ASP A  39
 CA  A1001 (-2.7A)
None
CA  A1001 (-4.2A)
None
CA  A1001 ( 4.5A)
 0.17A 3w9tF-1vclA:
36.7		 3w9tF-1vclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 ASP A  43
VAL A  25
GLY A  26
ASP A  39
 CA  A1001 (-2.8A)
None
CA  A1001 (-4.2A)
CA  A1001 ( 4.5A)
 1.35A 3w9tF-1vclA:
36.7		 3w9tF-1vclA:
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 VAL A 258
GLY A 259
TYR A 203
ASP A 206
 None
 0.89A 3w9tF-1vljA:
undetectable		 3w9tF-1vljA:
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.
1xyn ENDO-1,4-BETA-XYLANA
SE I

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		4 ASP A   6
VAL A  38
GLY A  37
TYR A   5
 None
 1.38A 3w9tF-1xynA:
undetectable		 3w9tF-1xynA:
17.15
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.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		4 ASP A 112
VAL A  61
GLY A  62
ASP A 108
 None
 0.91A 3w9tF-2au3A:
undetectable		 3w9tF-2au3A:
23.72
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.
2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ASP A 242
VAL A 241
GLY A 240
ASP A 214
 None
 1.32A 3w9tF-2cu0A:
undetectable		 3w9tF-2cu0A:
20.43
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.
2fsn HYPOTHETICAL PROTEIN
TA0583

(Thermoplasma
acidophilum) 		no annotation 4 ASP A 176
VAL A 177
GLY A 178
ASP A  72
 MG  A 327 ( 4.2A)
None
ADP  A 328 (-3.4A)
MG  A 327 (-3.5A)
 1.09A 3w9tF-2fsnA:
undetectable		 3w9tF-2fsnA:
22.62
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		4 ASP A 294
VAL A 290
GLY A  41
ASP A 336
 None
 1.48A 3w9tF-2gfiA:
undetectable		 3w9tF-2gfiA:
22.70
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.
2i1p LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 2

(Rattus
norvegicus) 		PF00057
(Ldl_recept_a) 		4 ASP A1213
VAL A1211
GLY A1210
TYR A1206
 CA  A1230 (-3.7A)
None
None
None
 1.23A 3w9tF-2i1pA:
undetectable		 3w9tF-2i1pA:
9.16
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.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 VAL A 360
GLY A 359
TYR A 402
ASP A 312
 None
 1.23A 3w9tF-2pplA:
undetectable		 3w9tF-2pplA:
23.43
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		4 ASP A 122
VAL A 125
GLY A 126
ASP A 128
 None
 1.48A 3w9tF-2qmiA:
undetectable		 3w9tF-2qmiA:
22.06
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.
2v0j BIFUNCTIONAL PROTEIN
GLMU

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 ASP A 200
VAL A 187
GLY A 188
TYR A 197
 None
 1.40A 3w9tF-2v0jA:
undetectable		 3w9tF-2v0jA:
22.75
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.
2vsi 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF01128
(IspD) 		4 ASP A 137
VAL A 139
GLY A 167
ASP A 195
 None
 1.20A 3w9tF-2vsiA:
undetectable		 3w9tF-2vsiA:
18.59
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		4 ASP A 205
VAL A 203
GLY A 291
TYR A 172
 None
 1.48A 3w9tF-3d43A:
undetectable		 3w9tF-3d43A:
23.32
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.
3es2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF07228
(SpoIIE) 		4 ASP A 210
VAL A 211
GLY A 191
ASP A 382
 None
 1.22A 3w9tF-3es2A:
undetectable		 3w9tF-3es2A:
20.47
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.
3f1c PUTATIVE
2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE
2

(Listeria
monocytogenes) 		PF01128
(IspD) 		4 ASP A 135
VAL A 137
GLY A 165
ASP A 193
 None
 1.20A 3w9tF-3f1cA:
undetectable		 3w9tF-3f1cA:
19.86
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 VAL A1158
GLY A1159
TYR A1094
ASP A1088
 None
 1.16A 3w9tF-3fawA:
undetectable		 3w9tF-3fawA:
19.44
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.
3gmg UNCHARACTERIZED
PROTEIN
RV1825/MT1873

(Mycobacterium
tuberculosis) 		PF05949
(DUF881) 		4 ASP A 213
VAL A 212
GLY A 211
ASP A 226
 None
 1.44A 3w9tF-3gmgA:
undetectable		 3w9tF-3gmgA:
16.67
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.
3hbc CHOLOYLGLYCINE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF02275
(CBAH) 		4 VAL A 284
GLY A  41
TYR A 292
ASP A  92
 None
 1.42A 3w9tF-3hbcA:
undetectable		 3w9tF-3hbcA:
19.68
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.
3hpm PRKCA-BINDING
PROTEIN,9-MER
PEPTIDE OF THE GLUR2
SUBUNIT

(Rattus
norvegicus;
synthetic
construct) 		PF00595
(PDZ) 		4 VAL A  19
GLY A  18
TYR A 101
ASP A  68
 None
 0.99A 3w9tF-3hpmA:
undetectable		 3w9tF-3hpmA:
13.21
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 VAL A 144
GLY A 141
TYR A 169
ASP A 168
 None
 1.45A 3w9tF-3icvA:
undetectable		 3w9tF-3icvA:
22.49
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		4 ASP A 235
VAL A 203
TYR A   8
ASP A 262
 None
None
None
ZN  A 312 (-2.7A)
 1.29A 3w9tF-3ij6A:
undetectable		 3w9tF-3ij6A:
19.09
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		4 VAL A 303
GLY A 307
TYR A 332
ASP A 310
 None
 1.44A 3w9tF-3iuuA:
undetectable		 3w9tF-3iuuA:
22.99
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.
3kb3 PROTEIN PHOSPHATASE
2C 16

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		4 ASP B 402
VAL B 325
GLY B 246
TYR B 404
 None
 1.21A 3w9tF-3kb3B:
undetectable		 3w9tF-3kb3B:
20.45
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.
3kbq PROTEIN TA0487

(Thermoplasma
acidophilum) 		PF00994
(MoCF_biosynth) 		4 ASP A  44
VAL A   8
GLY A  67
ASP A  75
 None
 1.46A 3w9tF-3kbqA:
undetectable		 3w9tF-3kbqA:
16.26
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.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		4 ASP B 317
VAL B 240
GLY B 180
TYR B 319
 None
 1.16A 3w9tF-3kdjB:
undetectable		 3w9tF-3kdjB:
20.91
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.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		4 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.87A 3w9tF-3ke6A:
undetectable		 3w9tF-3ke6A:
21.40
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.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		4 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.09A 3w9tF-3ke6A:
undetectable		 3w9tF-3ke6A:
21.40
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.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		4 VAL A  10
GLY A  11
TYR A  77
ASP A  71
 None
 1.48A 3w9tF-3m7gA:
undetectable		 3w9tF-3m7gA:
20.29
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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		4 ASP A 338
VAL A 337
GLY A 340
TYR A 335
 None
 1.48A 3w9tF-3p27A:
undetectable		 3w9tF-3p27A:
21.82
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.
3poj MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Rattus
norvegicus) 		PF00431
(CUB) 		4 ASP A 226
GLY A 266
TYR A 225
ASP A 263
 CA  A   1 (-2.2A)
CA  A   1 ( 4.2A)
NEH  A   2 (-3.6A)
NEH  A   2 ( 2.8A)
 1.30A 3w9tF-3pojA:
undetectable		 3w9tF-3pojA:
14.81
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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		4 VAL A  52
GLY A  51
TYR A 102
ASP A  60
 None
None
None
F9F  A   1 ( 4.5A)
 1.22A 3w9tF-3pr2A:
undetectable		 3w9tF-3pr2A:
21.73
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.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL

(Saccharophagus
degradans) 		PF04616
(Glyco_hydro_43) 		4 VAL A  48
GLY A  47
TYR A  44
ASP A 336
 None
 1.24A 3w9tF-3r4zA:
undetectable		 3w9tF-3r4zA:
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.
3rf2 30S RIBOSOMAL
PROTEIN S8

(Aquifex
aeolicus) 		PF00410
(Ribosomal_S8) 		4 ASP A 151
VAL A 133
GLY A 138
TYR A 132
 None
 1.38A 3w9tF-3rf2A:
undetectable		 3w9tF-3rf2A:
17.44
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 341
GLY A 342
TYR A 316
ASP A 293
 None
 1.48A 3w9tF-3ti8A:
undetectable		 3w9tF-3ti8A:
23.67
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ASP A 317
VAL A 316
GLY A 315
ASP A 348
 None
 0.97A 3w9tF-3uszA:
undetectable		 3w9tF-3uszA:
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		4 ASP A 466
VAL A 543
GLY A 544
ASP A 463
 None
 1.35A 3w9tF-3w5fA:
undetectable		 3w9tF-3w5fA:
19.13
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.
4agh MOSUB1,
TRANSCRIPTION
COFACTOR

(Magnaporthe
oryzae) 		PF02229
(PC4) 		4 VAL A  57
GLY A  58
TYR A  73
ASP A  42
 None
 1.28A 3w9tF-4aghA:
undetectable		 3w9tF-4aghA:
17.06
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.
4bhm MOSUB1 TRANSCRIPTION
COFACTOR

(Magnaporthe
oryzae) 		PF02229
(PC4) 		4 VAL A  57
GLY A  58
TYR A  73
ASP A  42
 None
 1.49A 3w9tF-4bhmA:
undetectable		 3w9tF-4bhmA:
11.27
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 VAL V 368
GLY V 491
TYR V 416
ASP V 487
 None
 1.25A 3w9tF-4bxsV:
undetectable		 3w9tF-4bxsV:
15.45
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.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		4 VAL A  38
GLY A  37
TYR A  32
ASP A  33
 None
 1.35A 3w9tF-4ct3A:
undetectable		 3w9tF-4ct3A:
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.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		4 VAL A 132
GLY A 133
TYR A 144
ASP A 142
 None
 1.44A 3w9tF-4dqnA:
undetectable		 3w9tF-4dqnA:
20.47
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		4 ASP A  50
VAL A  53
GLY A  52
TYR A   6
 EDO  A 501 (-2.7A)
None
None
EDO  A 501 (-4.6A)
 1.44A 3w9tF-4ffcA:
undetectable		 3w9tF-4ffcA:
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 VAL A 789
GLY A 791
TYR A 785
ASP A 794
 None
 1.32A 3w9tF-4fgvA:
undetectable		 3w9tF-4fgvA:
17.46
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 ASP A 398
VAL A 437
GLY A 440
ASP A 124
 None
 1.45A 3w9tF-4gz7A:
undetectable		 3w9tF-4gz7A:
22.87
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		4 ASP A 328
VAL A 354
GLY A 353
TYR A 332
 None
 1.19A 3w9tF-4hdjA:
undetectable		 3w9tF-4hdjA:
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.
4hfu FAB 8M2 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H 101
VAL H  95
GLY H  97
TYR H 100
 None
 1.31A 3w9tF-4hfuH:
undetectable		 3w9tF-4hfuH:
20.51
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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		4 VAL A 355
GLY A 386
TYR A 357
ASP A 324
 None
 1.28A 3w9tF-4hwvA:
undetectable		 3w9tF-4hwvA:
22.99
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.
4in0 THIOREDOXIN-LIKE
PROTEIN 4B

(Homo sapiens) 		PF02966
(DIM1) 		4 ASP A  62
VAL A  63
GLY A  31
ASP A  33
 None
 1.21A 3w9tF-4in0A:
undetectable		 3w9tF-4in0A:
16.67
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.
4jis RIBITOL-5-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01128
(IspD) 		4 ASP A 136
VAL A 138
GLY A 166
ASP A 194
 None
 1.20A 3w9tF-4jisA:
undetectable		 3w9tF-4jisA:
18.45
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.
4lj2 CHORISMATE SYNTHASE

(Acinetobacter
baumannii) 		PF01264
(Chorismate_synt) 		4 ASP A  89
VAL A  21
GLY A  22
ASP A  63
 None
 1.14A 3w9tF-4lj2A:
undetectable		 3w9tF-4lj2A:
22.62
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 ASP A 573
VAL A 574
GLY A 537
ASP A 601
 CA  A 802 (-2.1A)
None
None
CA  A 802 (-2.2A)
 1.46A 3w9tF-4m00A:
undetectable		 3w9tF-4m00A:
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.
4n6r VELB

(Aspergillus
nidulans) 		PF11754
(Velvet) 		4 VAL B 282
GLY B 283
TYR B 112
ASP B 108
 None
 1.08A 3w9tF-4n6rB:
undetectable		 3w9tF-4n6rB:
19.26
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 ASP A 262
VAL A 247
GLY A 248
ASP A 252
 None
 1.49A 3w9tF-4n7tA:
undetectable		 3w9tF-4n7tA:
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.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 4 ASP G 198
VAL G 204
GLY G 202
ASP G 162
 None
 1.44A 3w9tF-4neeG:
undetectable		 3w9tF-4neeG:
21.98
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tF-4nenA:
undetectable		 3w9tF-4nenA:
18.41
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 140
GLY A 158
TYR A 143
ASP A 186
 None
 1.20A 3w9tF-4udrA:
undetectable		 3w9tF-4udrA:
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 VAL A 132
GLY A 107
TYR A 134
ASP A 157
 None
 1.31A 3w9tF-4xwtA:
undetectable		 3w9tF-4xwtA:
20.28
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 VAL A 119
GLY A 118
TYR A 146
ASP A 147
 None
 1.36A 3w9tF-4y4vA:
undetectable		 3w9tF-4y4vA:
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 VAL A  24
GLY A  23
TYR C  33
ASP A  46
 None
 1.40A 3w9tF-4yfaA:
undetectable		 3w9tF-4yfaA:
16.71
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 ASP A 429
VAL A 430
GLY A 451
ASP A 190
 None
 1.39A 3w9tF-4z11A:
undetectable		 3w9tF-4z11A:
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.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 VAL A 371
GLY A 370
TYR A 444
ASP A 435
 None
 1.44A 3w9tF-4zajA:
undetectable		 3w9tF-4zajA:
19.86
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.
4zps MCG133388, ISOFORM
CRA_M

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 130
VAL A 133
GLY A 134
ASP A 187
 None
None
None
CA  A 803 (-3.3A)
 1.48A 3w9tF-4zpsA:
undetectable		 3w9tF-4zpsA:
21.00
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.
4zv7 LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 VAL A 110
GLY A 107
TYR A 135
ASP A 134
 None
 1.46A 3w9tF-4zv7A:
undetectable		 3w9tF-4zv7A:
21.36
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.
4zwv PUTATIVE
AMINOTRANSFERASE

(Actinomadura
melliaura) 		PF01041
(DegT_DnrJ_EryC1) 		4 VAL A 170
GLY A 169
TYR A 167
ASP A 285
 None
 1.43A 3w9tF-4zwvA:
undetectable		 3w9tF-4zwvA:
19.17
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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		4 ASP A 242
VAL A 241
GLY A 240
ASP A 212
 None
None
None
PO4  A1489 (-4.6A)
 1.31A 3w9tF-5ahmA:
undetectable		 3w9tF-5ahmA:
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ASP A 242
VAL A 241
GLY A 240
ASP A 212
 None
 1.30A 3w9tF-5ahnA:
undetectable		 3w9tF-5ahnA:
21.78
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.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		4 VAL A 235
GLY A 234
TYR A 209
ASP A 211
 None
 1.13A 3w9tF-5bncA:
undetectable		 3w9tF-5bncA:
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 VAL A  24
GLY A  23
TYR A 235
ASP A  46
 None
 1.40A 3w9tF-5c9iA:
undetectable		 3w9tF-5c9iA:
19.59
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.
5ckm MANNAN-BINDING
LECTIN SERINE
PEPTIDASE 2

(Rattus
norvegicus) 		PF00431
(CUB)
PF07645
(EGF_CA) 		4 ASP A 225
GLY A 265
TYR A 224
ASP A 262
 CA  A 303 (-2.4A)
CA  A 303 ( 4.3A)
None
CA  A 303 (-3.1A)
 1.31A 3w9tF-5ckmA:
undetectable		 3w9tF-5ckmA:
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.
5fmq INFLUENZA A PB2
SUBUNIT

(Influenza A
virus) 		PF00604
(Flu_PB2) 		4 ASP A 486
VAL A 485
GLY A 484
TYR A 488
 None
 1.30A 3w9tF-5fmqA:
undetectable		 3w9tF-5fmqA:
21.46
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.
5gwo PROBABLE PROTEIN
PHOSPHATASE 2C 50

(Oryza sativa) 		PF00481
(PP2C) 		4 ASP A 276
VAL A 199
GLY A 121
TYR A 278
 None
 1.10A 3w9tF-5gwoA:
undetectable		 3w9tF-5gwoA:
21.22
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.
5in7 NEURONAL MIGRATION
PROTEIN DOUBLECORTIN

(Homo sapiens) 		PF03607
(DCX) 		4 VAL A 182
GLY A 181
TYR A 184
ASP A 211
 None
 1.24A 3w9tF-5in7A:
undetectable		 3w9tF-5in7A:
18.02
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.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE

(Roseovarius
nubinhibens) 		PF00743
(FMO-like) 		4 VAL A 302
GLY A 301
TYR A 299
ASP A 352
 None
 1.31A 3w9tF-5ipyA:
undetectable		 3w9tF-5ipyA:
21.46
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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		4 VAL A 239
GLY A 238
TYR A 313
ASP A 173
 None
 1.40A 3w9tF-5jiuA:
undetectable		 3w9tF-5jiuA:
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.
5k21 PYOCYANIN
DEMETHYLASE

(Mycolicibacterium
fortuitum) 		no annotation 4 ASP A  63
VAL A  64
GLY A  65
ASP A  56
 CA  A 202 (-3.0A)
None
None
CA  A 202 (-3.1A)
 1.25A 3w9tF-5k21A:
undetectable		 3w9tF-5k21A:
16.98
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 ASP A 544
VAL A 484
GLY A 474
ASP A 699
 ZN  A 902 ( 2.6A)
None
None
ZN  A 902 (-2.3A)
 1.49A 3w9tF-5mtzA:
undetectable		 3w9tF-5mtzA:
18.48
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.
5t8y EPOXYQUEUOSINE
REDUCTASE

(Bacillus
subtilis) 		PF08331
(DUF1730)
PF13484
(Fer4_16)
PF13646
(HEAT_2) 		4 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.21A 3w9tF-5t8yA:
undetectable		 3w9tF-5t8yA:
21.91
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ASP A 579
VAL A 578
GLY A 577
TYR A 580
 None
 1.30A 3w9tF-5t9gA:
undetectable		 3w9tF-5t9gA:
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.
5wwl CENTROMERE PROTEIN
MIS12
KINETOCHORE PROTEIN
NNF1

(Schizosaccharomyces
pombe) 		no annotation 4 ASP M  98
VAL M  97
GLY M  94
ASP N  82
 None
 1.37A 3w9tF-5wwlM:
undetectable		 3w9tF-5wwlM:
19.12
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.
5ylv POTASSIUM-TRANSPORTI
NG ATPASE SUBUNIT
BETA

(Sus scrofa) 		no annotation 4 VAL B  82
GLY B 280
TYR B 278
ASP B 276
 None
 1.31A 3w9tF-5ylvB:
undetectable		 3w9tF-5ylvB:
11.59
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.
6f1d COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		no annotation 4 ASP A 236
GLY A 276
TYR A 235
ASP A 273
 CA  A 300 (-2.2A)
CA  A 300 ( 4.5A)
None
CA  A 300 (-3.1A)
 1.31A 3w9tF-6f1dA:
undetectable		 3w9tF-6f1dA:
11.56