SIMILAR PATTERNS OF AMINO ACIDS FOR 3U8Q_A_NPUA7231_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.
1arl APO-CARBOXYPEPTIDASE
A=ALPHA= (COX)


(Bos taurus)
PF00246
(Peptidase_M14)
4 THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.87A 3u8qA-1arlA:
undetectable
3u8qA-1arlA:
21.63
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.
1aye PROCARBOXYPEPTIDASE
A2


(Homo sapiens)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
4 THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.88A 3u8qA-1ayeA:
undetectable
3u8qA-1ayeA:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1biy LACTOFERRIN

(Bubalus bubalis)
PF00405
(Transferrin)
5 THR A 430
GLY A 432
PRO A 593
ASN A 594
TYR A 660
None
0.46A 3u8qA-1biyA:
41.1
3u8qA-1biyA:
91.06
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens)
PF00246
(Peptidase_M14)
4 THR A 484
GLY A 470
PRO A 468
ASN A 467
None
0.87A 3u8qA-1dtdA:
undetectable
3u8qA-1dtdA:
20.11
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.
1gvl KALLIKREIN 6

(Homo sapiens)
PF00089
(Trypsin)
4 GLY A 221
PRO A 225
ASN A 217
TYR A 172
None
1.01A 3u8qA-1gvlA:
undetectable
3u8qA-1gvlA:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h76 SEROTRANSFERRIN

(Sus scrofa)
PF00405
(Transferrin)
4 GLY A 430
PRO A 592
ASN A 593
TYR A 658
None
0.29A 3u8qA-1h76A:
43.6
3u8qA-1h76A:
31.60
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.
1hbz CATALASE

(Micrococcus
luteus)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 THR A 449
GLY A 491
PRO A 493
ASN A 232
None
1.29A 3u8qA-1hbzA:
undetectable
3u8qA-1hbzA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i6q LACTOFERRIN

(Camelus
dromedarius)
PF00405
(Transferrin)
4 GLY A 432
PRO A 593
ASN A 594
TYR A 660
None
0.61A 3u8qA-1i6qA:
27.2
3u8qA-1i6qA:
55.56
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.
1jhd SULFATE
ADENYLYLTRANSFERASE


(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
4 THR A 179
GLY A  50
PRO A  12
TYR A  16
None
1.09A 3u8qA-1jhdA:
undetectable
3u8qA-1jhdA:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus)
PF00405
(Transferrin)
4 GLY A 424
PRO A 580
ASN A 581
TYR A 647
None
0.42A 3u8qA-1jnfA:
50.4
3u8qA-1jnfA:
30.61
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.
1k4q GLUTATHIONE
REDUCTASE


(Homo sapiens)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 THR A 156
GLY A 158
PRO A 293
ASN A 294
FAD  A 499 (-3.9A)
None
None
FAD  A 499 ( 4.5A)
0.87A 3u8qA-1k4qA:
undetectable
3u8qA-1k4qA:
22.54
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.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK


(Rattus
norvegicus)
PF07714
(Pkinase_Tyr)
4 THR A 603
GLY A 595
PRO A 598
TYR A 599
None
1.19A 3u8qA-1lufA:
undetectable
3u8qA-1lufA:
22.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n76 LACTOFERRIN

(Homo sapiens)
PF00405
(Transferrin)
4 GLY A 434
PRO A 595
ASN A 596
TYR A 662
None
0.30A 3u8qA-1n76A:
52.9
3u8qA-1n76A:
68.89
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.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT


(Rattus
norvegicus)
PF00432
(Prenyltrans)
4 THR B 153
GLY B 141
PRO B 148
TYR B 180
None
0.94A 3u8qA-1n94B:
undetectable
3u8qA-1n94B:
23.15
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.
1pca PROCARBOXYPEPTIDASE
A PCPA


(Sus scrofa)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
4 THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.92A 3u8qA-1pcaA:
undetectable
3u8qA-1pcaA:
21.99
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.
1q1r PUTIDAREDOXIN
REDUCTASE


(Pseudomonas
putida)
PF07992
(Pyr_redox_2)
PF14759
(Reductase_C)
4 THR A 110
GLY A 112
PRO A 250
ASN A 251
FAD  A 749 (-4.2A)
FAD  A 749 (-4.6A)
None
FAD  A 749 ( 4.6A)
0.70A 3u8qA-1q1rA:
undetectable
3u8qA-1q1rA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qjm LACTOFERRIN

(Equus caballus)
PF00405
(Transferrin)
4 GLY A 432
PRO A 593
ASN A 594
TYR A 660
None
0.36A 3u8qA-1qjmA:
53.4
3u8qA-1qjmA:
45.02
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.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B


(Escherichia
coli)
PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2)
4 THR A 284
GLY A 286
PRO A 257
ASN A 255
None
1.04A 3u8qA-1r3fA:
undetectable
3u8qA-1r3fA:
22.46
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.
1ry6 INTERNAL KINESIN

(Plasmodium
falciparum)
PF00225
(Kinesin)
4 GLY A 104
PRO A 114
ASN A  64
TYR A 119
None
1.06A 3u8qA-1ry6A:
undetectable
3u8qA-1ry6A:
20.05
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.
1sgq STREPTOMYCES GRISEUS
PROTEINASE B


(Streptomyces
griseus)
PF00089
(Trypsin)
4 THR E 157
GLY E 140
PRO E 198
TYR E 200
None
1.09A 3u8qA-1sgqE:
undetectable
3u8qA-1sgqE:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1suv SEROTRANSFERRIN,
C-LOBE


(Homo sapiens)
PF00405
(Transferrin)
4 GLY E 424
PRO E 580
ASN E 581
TYR E 647
None
0.42A 3u8qA-1suvE:
50.2
3u8qA-1suvE:
58.19
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Arabidopsis
thaliana)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
4 THR A 669
GLY A 696
PRO A 731
ASN A 730
None
0.96A 3u8qA-1u1hA:
undetectable
3u8qA-1u1hA:
17.39
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)


(Thermus
thermophilus)
PF02347
(GDC-P)
4 THR B 214
GLY B 216
PRO B 212
ASN B 213
None
1.25A 3u8qA-1wytB:
undetectable
3u8qA-1wytB:
21.23
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.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]


(Escherichia
coli)
PF13522
(GATase_6)
4 THR A 122
GLY A  78
PRO A  80
ASN A  84
HGA  A5300 ( 4.6A)
None
None
None
1.05A 3u8qA-1xfgA:
undetectable
3u8qA-1xfgA:
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.
2b0r POSSIBLE ADENYL
CYCLASE-ASSOCIATED
PROTEIN


(Cryptosporidium
parvum)
PF08603
(CAP_C)
4 THR A  39
GLY A  41
PRO A  43
ASN A  56
None
1.03A 3u8qA-2b0rA:
undetectable
3u8qA-2b0rA:
19.58
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.
2b4i OUTER CAPSID PROTEIN
VP4


(Rotavirus A)
PF17477
(Rota_VP4_MID)
4 THR A 381
GLY A 383
ASN A 457
TYR A 462
None
1.26A 3u8qA-2b4iA:
undetectable
3u8qA-2b4iA:
20.40
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
4 THR A1129
GLY A1115
PRO A1113
ASN A1112
None
0.87A 3u8qA-2boaA:
undetectable
3u8qA-2boaA:
22.27
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea)
PF00246
(Peptidase_M14)
4 THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.83A 3u8qA-2c1cA:
undetectable
3u8qA-2c1cA:
21.04
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE


(Ruminiclostridium
thermocellum)
PF02012
(BNR)
4 THR A 232
GLY A 234
PRO A 236
ASN A 235
None
1.26A 3u8qA-2cn3A:
undetectable
3u8qA-2cn3A:
19.00
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.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE


(Escherichia
coli)
PF07883
(Cupin_2)
4 GLY A 250
PRO A 252
ASN A 245
TYR A 215
None
1.20A 3u8qA-2d40A:
undetectable
3u8qA-2d40A:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hau SEROTRANSFERRIN

(Homo sapiens)
PF00405
(Transferrin)
4 GLY A 425
PRO A 583
ASN A 584
TYR A 650
None
0.77A 3u8qA-2hauA:
27.0
3u8qA-2hauA:
31.30
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A


(Staphylococcus
aureus)
PF00521
(DNA_topoisoIV)
4 THR A 169
GLY A 167
PRO A 181
TYR A 262
None
1.26A 3u8qA-2inrA:
undetectable
3u8qA-2inrA:
19.49
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE


(Escherichia
coli)
PF01380
(SIS)
PF13522
(GATase_6)
4 THR A 122
GLY A  78
PRO A  80
ASN A  84
ONL  A1609 ( 4.7A)
None
None
None
1.02A 3u8qA-2j6hA:
undetectable
3u8qA-2j6hA:
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.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens)
PF00246
(Peptidase_M14)
4 THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.86A 3u8qA-2pcuA:
undetectable
3u8qA-2pcuA:
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA


(Desulfovibrio
vulgaris)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
4 GLY A  37
PRO A  35
ASN A  34
TYR A  30
None
1.24A 3u8qA-2v4jA:
undetectable
3u8qA-2v4jA:
22.37
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.
2wsi FAD SYNTHETASE

(Saccharomyces
cerevisiae)
PF01507
(PAPS_reduct)
4 THR A 222
GLY A 302
PRO A 232
ASN A 233
None
1.16A 3u8qA-2wsiA:
undetectable
3u8qA-2wsiA:
20.40
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1


(Gracilariopsis
lemaneiformis)
PF01055
(Glyco_hydro_31)
4 THR A 838
GLY A 858
PRO A 835
TYR A 793
None
1.25A 3u8qA-2x2iA:
undetectable
3u8qA-2x2iA:
15.42
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 THR A 146
GLY A 143
PRO A 141
ASN A 131
None
1.24A 3u8qA-2x7iA:
undetectable
3u8qA-2x7iA:
22.91
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.
2x9a ATTACHMENT PROTEIN
G3P


(Escherichia
virus If1)
PF05357
(Phage_Coat_A)
4 THR A  16
GLY A  53
ASN A  52
TYR A  45
None
1.22A 3u8qA-2x9aA:
undetectable
3u8qA-2x9aA:
11.84
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.
3aib GLUCOSYLTRANSFERASE-
SI


(Streptococcus
mutans)
PF02324
(Glyco_hydro_70)
4 GLY A 925
PRO A 929
ASN A 930
TYR A 873
None
1.25A 3u8qA-3aibA:
undetectable
3u8qA-3aibA:
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.
3cjx PROTEIN OF UNKNOWN
FUNCTION WITH A
CUPIN-LIKE FOLD


(Cupriavidus
pinatubonensis)
no annotation 4 THR A  58
GLY A  56
PRO A 106
TYR A  78
None
0.81A 3u8qA-3cjxA:
undetectable
3u8qA-3cjxA:
19.10
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.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2


(Cupriavidus
pinatubonensis)
PF00155
(Aminotran_1_2)
4 THR A 169
GLY A 117
PRO A 114
ASN A 166
None
1.17A 3u8qA-3eucA:
undetectable
3u8qA-3eucA:
22.96
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.
3fju CARBOXYPEPTIDASE A1

(Homo sapiens)
PF00246
(Peptidase_M14)
4 THR A 129
GLY A 115
PRO A 113
ASN A 112
None
0.87A 3u8qA-3fjuA:
undetectable
3u8qA-3fjuA:
20.11
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.
3g5a FMN
ADENYLYLTRANSFERASE


([Candida]
glabrata)
PF01507
(PAPS_reduct)
4 THR A 221
GLY A 299
PRO A 231
ASN A 232
None
1.17A 3u8qA-3g5aA:
undetectable
3u8qA-3g5aA:
20.39
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.
3hia CHOLINE BINDING
PROTEIN


(Streptococcus
pneumoniae)
PF01473
(CW_binding_1)
4 THR A 106
GLY A 108
ASN A 105
TYR A 103
None
1.26A 3u8qA-3hiaA:
undetectable
3u8qA-3hiaA:
14.11
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.
3hzg THYMIDYLATE SYNTHASE
THYX


(Mycobacterium
tuberculosis)
PF02511
(Thy1)
4 THR A  15
GLY A  31
PRO A  33
TYR A 189
None
1.25A 3u8qA-3hzgA:
undetectable
3u8qA-3hzgA:
22.13
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH


(Escherichia
coli)
PF00294
(PfkB)
4 GLY A 232
PRO A 245
ASN A 284
TYR A 313
ADP  A 510 (-4.1A)
None
ADP  A 510 (-3.7A)
None
1.07A 3u8qA-3in1A:
undetectable
3u8qA-3in1A:
22.76
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.
3ioq CMS1MS2

(Vasconcellea
cundinamarcensis)
PF00112
(Peptidase_C1)
4 THR A 155
GLY A 198
PRO A 196
ASN A 195
None
1.10A 3u8qA-3ioqA:
undetectable
3u8qA-3ioqA:
20.40
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6


(Homo sapiens)
PF02373
(JmjC)
4 THR A 281
GLY A 178
PRO A 180
ASN A 277
None
1.05A 3u8qA-3ld8A:
undetectable
3u8qA-3ld8A:
19.79
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 THR A 187
GLY A 237
PRO A 244
ASN A 290
None
0.95A 3u8qA-3ldrA:
undetectable
3u8qA-3ldrA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE


(Mus musculus)
PF00405
(Transferrin)
4 GLY A 426
PRO A 586
ASN A 587
TYR A 652
None
0.83A 3u8qA-3mc2A:
17.1
3u8qA-3mc2A:
33.96
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.
3naw SECRETED EFFECTOR
PROTEIN


(Escherichia
coli)
PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA)
4 GLY A 514
PRO A 522
ASN A 533
TYR A 495
None
1.28A 3u8qA-3nawA:
undetectable
3u8qA-3nawA:
19.24
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.
3oj0 GLUTAMYL-TRNA
REDUCTASE


(Thermoplasma
volcanium)
PF01488
(Shikimate_DH)
4 THR A  83
GLY A 107
PRO A 110
ASN A 111
None
GOL  A 146 (-3.9A)
None
None
0.78A 3u8qA-3oj0A:
undetectable
3u8qA-3oj0A:
19.05
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC


(Bacillus
anthracis)
PF00425
(Chorismate_bind)
4 THR A 175
GLY A 173
PRO A 196
ASN A 170
None
1.14A 3u8qA-3os6A:
undetectable
3u8qA-3os6A:
20.82
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.
3s4d LACTOSE
PHOSPHORYLASE


(Cellulomonas
uda)
PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36)
4 THR A 145
GLY A 233
PRO A 230
ASN A  75
None
1.25A 3u8qA-3s4dA:
undetectable
3u8qA-3s4dA:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3skp SEROTRANSFERRIN

(Homo sapiens)
PF00405
(Transferrin)
4 GLY A 425
PRO A 583
ASN A 584
TYR A 650
None
0.60A 3u8qA-3skpA:
25.8
3u8qA-3skpA:
59.82
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
4 THR A  67
GLY A  65
PRO A  64
ASN A  63
None
1.10A 3u8qA-3v4pA:
undetectable
3u8qA-3v4pA:
20.40
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN


(Coprinopsis
cinerea)
no annotation 4 THR A 194
GLY A 196
PRO A 198
ASN A 197
None
1.21A 3u8qA-3w9aA:
undetectable
3u8qA-3w9aA:
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.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL


(Homo sapiens)
PF07992
(Pyr_redox_2)
PF14721
(AIF_C)
4 THR A 260
GLY A 262
PRO A 402
ASN A 403
FAD  A1449 (-4.1A)
None
None
FAD  A1449 ( 4.5A)
0.83A 3u8qA-4bv6A:
undetectable
3u8qA-4bv6A:
20.96
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.
4ddd IMMUNOGENIC PROTEIN

(Ehrlichia
chaffeensis)
PF16868
(NMT1_3)
4 GLY A 202
PRO A 204
ASN A 205
TYR A 247
None
1.04A 3u8qA-4dddA:
8.7
3u8qA-4dddA:
21.94
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.
4dnx SULFATE
ADENYLYLTRANSFERASE


(Allochromatium
vinosum)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
4 THR A 179
GLY A  50
PRO A  12
TYR A  16
None
1.09A 3u8qA-4dnxA:
undetectable
3u8qA-4dnxA:
22.09
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
4 GLY A 377
PRO A 375
ASN A 562
TYR A 373
None
0.99A 3u8qA-4dpgA:
undetectable
3u8qA-4dpgA:
21.14
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.
4egj D-ALANINE--D-ALANINE
LIGASE


(Paraburkholderia
xenovorans)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
4 GLY A 269
PRO A 271
ASN A 270
TYR A 272
None
1.17A 3u8qA-4egjA:
undetectable
3u8qA-4egjA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fim LACTOTRANSFERRIN

(Bos taurus)
PF00405
(Transferrin)
5 THR A 430
GLY A 432
PRO A 593
ASN A 594
TYR A 660
None
CEL  A 711 (-3.7A)
CEL  A 711 (-4.3A)
None
CEL  A 711 (-4.4A)
0.21A 3u8qA-4fimA:
60.7
3u8qA-4fimA:
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.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8)
4 THR A 437
GLY A 439
PRO A 441
ASN A 440
None
1.19A 3u8qA-4hq1A:
undetectable
3u8qA-4hq1A:
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.
4irt UNCHARACTERIZED
PROTEIN


(Bacteroides
ovatus)
PF15892
(BNR_4)
4 GLY A 279
PRO A 281
ASN A 280
TYR A 282
None
1.29A 3u8qA-4irtA:
undetectable
3u8qA-4irtA:
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.
4ofz TREHALOSE-PHOSPHATAS
E


(Brugia malayi)
no annotation 4 THR A 253
GLY A 278
PRO A 256
TYR A 225
None
1.28A 3u8qA-4ofzA:
undetectable
3u8qA-4ofzA:
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae)
PF01095
(Pectinesterase)
4 GLY A 310
PRO A 308
ASN A 309
TYR A 302
None
1.17A 3u8qA-4pmhA:
undetectable
3u8qA-4pmhA:
21.27
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.
4s3j CORTICAL-LYTIC
ENZYME


(Bacillus cereus)
PF00704
(Glyco_hydro_18)
PF01476
(LysM)
4 THR A 166
GLY A 164
PRO A 130
ASN A 129
None
1.18A 3u8qA-4s3jA:
undetectable
3u8qA-4s3jA:
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.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
4 THR A 239
GLY A 225
PRO A 223
ASN A 222
None
0.87A 3u8qA-4uf4A:
undetectable
3u8qA-4uf4A:
20.19
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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti)
PF00884
(Sulfatase)
PF12411
(Choline_sulf_C)
4 THR A   2
GLY A   4
PRO A   6
TYR A  95
None
1.24A 3u8qA-4ug4A:
undetectable
3u8qA-4ug4A:
21.89
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6)
PF13417
(GST_N_3)
4 GLY A 180
PRO A 184
ASN A 185
TYR A 189
None
0.94A 3u8qA-4yamA:
undetectable
3u8qA-4yamA:
22.48
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.
5bul FLAVIN-DEPENDENT
HALOGENASE TRIPLE
MUTANT


(Streptomyces)
PF04820
(Trp_halogenase)
4 GLY A 360
PRO A 356
ASN A  86
TYR A 205
None
1.12A 3u8qA-5bulA:
undetectable
3u8qA-5bulA:
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.
5c5g SPHERULIN-4

(Aspergillus
clavatus)
PF12138
(Spherulin4)
4 GLY A  95
PRO A  94
ASN A  93
TYR A 146
None
1.20A 3u8qA-5c5gA:
undetectable
3u8qA-5c5gA:
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.
5cg9 TET-LIKE DIOXYGENASE

(Naegleria
gruberi)
no annotation 4 THR A 211
GLY A 143
PRO A 209
ASN A 204
None
1.29A 3u8qA-5cg9A:
undetectable
3u8qA-5cg9A:
22.77
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.
5e7t MINOR STRUCTURAL
PROTEIN 4
MINOR STRUCTURAL
PROTEIN 5


(Lactococcus
phage Tuc2009)
no annotation 4 GLY A 321
PRO A 301
ASN A 320
TYR B 231
None
1.18A 3u8qA-5e7tA:
undetectable
3u8qA-5e7tA:
16.83
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.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A


(Brevibacillus
parabrevis)
PF00501
(AMP-binding)
PF00551
(Formyl_trans_N)
4 THR A 487
GLY A 539
ASN A 367
TYR A 347
None
1.23A 3u8qA-5es6A:
undetectable
3u8qA-5es6A:
19.16
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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A


(Brevibacillus
parabrevis)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C)
4 THR A 487
GLY A 539
ASN A 367
TYR A 347
None
1.27A 3u8qA-5es9A:
undetectable
3u8qA-5es9A:
17.87
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32


(Mycobacterium
marinum)
PF00501
(AMP-binding)
4 THR A 348
GLY A 427
ASN A 202
TYR A 182
None
1.15A 3u8qA-5ey9A:
undetectable
3u8qA-5ey9A:
20.49
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis)
PF13847
(Methyltransf_31)
4 THR A 304
GLY A 129
PRO A 131
TYR A 135
None
1.25A 3u8qA-5f8eA:
undetectable
3u8qA-5f8eA:
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.
5hgq LYSINE--TRNA LIGASE

(Loa loa)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
4 GLY A 309
PRO A 307
ASN A 495
TYR A 305
None
0.93A 3u8qA-5hgqA:
undetectable
3u8qA-5hgqA:
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.
5jd4 LAE6

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
4 THR A 252
GLY A 254
PRO A 282
ASN A 280
None
1.20A 3u8qA-5jd4A:
undetectable
3u8qA-5jd4A:
23.40
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A


(Brevibacillus
parabrevis)
no annotation 4 THR C 487
GLY C 539
ASN C 367
TYR C 347
None
1.22A 3u8qA-5jnfC:
undetectable
3u8qA-5jnfC:
19.32
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.
5jow NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43A


(Bacteroides
ovatus)
PF04616
(Glyco_hydro_43)
4 THR A 183
GLY A 229
PRO A 231
ASN A 233
None
1.24A 3u8qA-5jowA:
undetectable
3u8qA-5jowA:
21.34
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.
5mul NEURAMINIDASE

(Bacteroides
thetaiotaomicron)
PF15892
(BNR_4)
4 GLY A 279
PRO A 281
ASN A 280
TYR A 282
None
1.23A 3u8qA-5mulA:
undetectable
3u8qA-5mulA:
22.83
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.
5mvh BACCELL_00856

(Bacteroides
cellulosilyticus)
PF15892
(BNR_4)
4 GLY A 279
PRO A 281
ASN A 280
TYR A 282
None
1.26A 3u8qA-5mvhA:
undetectable
3u8qA-5mvhA:
22.17
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea)
no annotation 4 THR A 478
GLY A 480
PRO A 482
ASN A 387
None
1.00A 3u8qA-5n6vA:
undetectable
3u8qA-5n6vA:
13.55
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.
5nri D-ALANINE--D-ALANINE
LIGASE


(Burkholderia
pseudomallei)
no annotation 4 GLY A 269
PRO A 271
ASN A 270
TYR A 272
None
1.22A 3u8qA-5nriA:
undetectable
3u8qA-5nriA:
14.29
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT


(Homo sapiens)
PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2)
4 THR B 457
GLY B 459
PRO B  43
TYR B  24
None
1.06A 3u8qA-5of4B:
undetectable
3u8qA-5of4B:
17.35
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum)
no annotation 4 THR A 108
GLY A 245
PRO A 247
ASN A 105
None
1.00A 3u8qA-5v2dA:
undetectable
3u8qA-5v2dA:
13.98
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 4


(Homo sapiens)
PF00004
(AAA)
4 THR B 331
GLY B 229
PRO B 227
ASN B 332
None
0.86A 3u8qA-5vhjB:
undetectable
3u8qA-5vhjB:
22.66
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.
5xct VH(S112C)-SARAH
CHIMERA


(Homo sapiens;
Mus musculus)
PF07686
(V-set)
PF11629
(Mst1_SARAH)
4 THR A  52
GLY A  55
PRO A  57
ASN A  52
None
1.27A 3u8qA-5xctA:
undetectable
3u8qA-5xctA:
22.44
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.
5xh9 EXTRACELLULAR
INVERTASE


(Aspergillus
kawachii)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 THR A 190
GLY A 220
PRO A 227
ASN A 269
None
1.00A 3u8qA-5xh9A:
undetectable
3u8qA-5xh9A:
20.52
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5


(Aquareovirus C)
no annotation 4 GLY B 413
PRO B 415
ASN B 410
TYR B 360
None
1.27A 3u8qA-5zvtB:
undetectable
3u8qA-5zvtB:
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.
6b4o GLUTATHIONE
REDUCTASE


(Enterococcus
faecalis)
no annotation 4 THR A 138
GLY A 140
PRO A 264
ASN A 265
FAD  A 501 (-3.9A)
None
None
FAD  A 501 ( 4.8A)
0.76A 3u8qA-6b4oA:
undetectable
3u8qA-6b4oA:
21.28
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.
6bni LYSINE--TRNA LIGASE

(Cryptosporidium
parvum)
no annotation 4 GLY A 349
PRO A 347
ASN A 532
TYR A 345
None
0.94A 3u8qA-6bniA:
undetectable
3u8qA-6bniA:
12.58
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.
6f45 -

(-)
no annotation 4 THR D 118
GLY D 126
PRO D 128
ASN D 127
None
1.27A 3u8qA-6f45D:
undetectable
3u8qA-6f45D:
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.
6f9m SERINE PROTEASE

(Planococcus
plakortidis)
no annotation 4 THR A  70
GLY A  75
PRO A  77
ASN A  68
None
1.14A 3u8qA-6f9mA:
undetectable
3u8qA-6f9mA:
12.27
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.
6fqc BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6


(Homo sapiens)
no annotation 4 THR A 281
GLY A 178
PRO A 180
ASN A 277
None
1.10A 3u8qA-6fqcA:
undetectable
3u8qA-6fqcA:
13.43
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.
6gt1 SERINE/THREONINE-PRO
TEIN KINASE NEK7


(Homo sapiens)
no annotation 4 THR A  30
GLY A  27
PRO A  24
ASN A  33
None
1.06A 3u8qA-6gt1A:
undetectable
3u8qA-6gt1A:
undetectable