SIMILAR PATTERNS OF AMINO ACIDS FOR 3QEL_B_QELB1_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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 ALA A   6
GLN A  10
ILE A   8
PHE A  11
THR A 284
 None
 1.33A 3qelA-1a0pA:
undetectable
3qelB-1a0pA:
undetectable		 3qelA-1a0pA:
21.21
3qelB-1a0pA:
18.77
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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 TYR A  85
ALA A   6
GLN A  10
ILE A   8
PHE A  11
 None
 1.30A 3qelA-1a0pA:
undetectable
3qelB-1a0pA:
undetectable		 3qelA-1a0pA:
21.21
3qelB-1a0pA:
18.77
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.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 202
ALA A 332
ILE A 352
THR A 190
GLU A 327
 None
None
None
AMP  A 567 (-3.8A)
MG  A 564 (-2.8A)
 1.25A 3qelA-1amuA:
3.0
3qelB-1amuA:
3.2		 3qelA-1amuA:
21.92
3qelB-1amuA:
22.10
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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 394
LEU A 339
ALA A 400
ILE A 401
THR A 346
 None
 1.43A 3qelA-1b3bA:
5.1
3qelB-1b3bA:
4.7		 3qelA-1b3bA:
20.67
3qelB-1b3bA:
22.88
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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 TYR A 397
THR A 394
LEU A 339
ILE A 401
THR A 346
 None
 1.50A 3qelA-1b3bA:
5.1
3qelB-1b3bA:
4.7		 3qelA-1b3bA:
20.67
3qelB-1b3bA:
22.88
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.
1bpo PROTEIN (CLATHRIN)

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link)
PF13838
(Clathrin_H_link) 		5 THR A 312
ALA A 307
GLN A 265
ILE A 316
THR A 158
 None
 1.43A 3qelA-1bpoA:
undetectable
3qelB-1bpoA:
undetectable		 3qelA-1bpoA:
21.60
3qelB-1bpoA:
22.11
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 TYR A 261
THR A 257
ILE A 263
THR A 244
GLU A 215
 None
None
None
K  A4017 ( 3.5A)
ADP  A4000 ( 2.8A)
 1.26A 3qelA-1c30A:
4.1
3qelB-1c30A:
4.1		 3qelA-1c30A:
18.12
3qelB-1c30A:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 TYR A 538
THR A 633
ILE A 631
THR A 448
GLU A 663
 None
 1.22A 3qelA-1e4oA:
3.3
3qelB-1e4oA:
2.0		 3qelA-1e4oA:
17.52
3qelB-1e4oA:
16.07
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.
1odh MGCM1

(Mus musculus) 		PF03615
(GCM) 		5 THR A  30
ALA A  52
ILE A 144
PHE A 145
PRO A  37
 None
 1.15A 3qelA-1odhA:
undetectable
3qelB-1odhA:
undetectable		 3qelA-1odhA:
17.36
3qelB-1odhA:
17.26
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 THR A 365
LEU A 332
ALA A 302
GLN A 309
ILE A 307
 None
 1.26A 3qelA-1pn3A:
5.6
3qelB-1pn3A:
3.1		 3qelA-1pn3A:
19.45
3qelB-1pn3A:
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 TYR A  51
LEU A 212
ALA A 110
ILE A  54
THR A 378
 None
 1.13A 3qelA-1qdlA:
undetectable
3qelB-1qdlA:
undetectable		 3qelA-1qdlA:
21.83
3qelB-1qdlA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1scj SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 TYR A  21
THR A  22
ALA A  15
GLN A  19
THR A 253
 None
 1.34A 3qelA-1scjA:
4.4
3qelB-1scjA:
6.2		 3qelA-1scjA:
23.04
3qelB-1scjA:
22.11
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.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 LEU A 241
ALA A 171
ILE A 175
THR A 100
PRO A 118
 None
 1.48A 3qelA-1yb4A:
5.4
3qelB-1yb4A:
5.7		 3qelA-1yb4A:
23.04
3qelB-1yb4A:
23.60
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.
1yf8 BETA-GALACTOSIDE-SPE
CIFIC LECTIN 4

(Viscum album) 		PF00161
(RIP) 		5 LEU A 233
ALA A 161
ILE A  21
PHE A  18
PRO A  38
 None
 1.28A 3qelA-1yf8A:
undetectable
3qelB-1yf8A:
undetectable		 3qelA-1yf8A:
20.36
3qelB-1yf8A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		5 ARG A  33
ALA A  48
GLN A  49
ILE A  95
GLU A  87
 None
 1.24A 3qelA-1yk3A:
undetectable
3qelB-1yk3A:
undetectable		 3qelA-1yk3A:
19.85
3qelB-1yk3A:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 TYR A 152
LEU A  63
ALA A  17
ILE A 156
PHE A 155
 None
 1.48A 3qelA-1yp4A:
undetectable
3qelB-1yp4A:
undetectable		 3qelA-1yp4A:
21.02
3qelB-1yp4A:
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.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE

(Yersinia
enterocolitica) 		PF00102
(Y_phosphatase) 		5 TYR A 248
THR A 238
LEU A 244
ALA A 258
ILE A 249
 None
 1.11A 3qelA-1ytsA:
3.2
3qelB-1ytsA:
undetectable		 3qelA-1ytsA:
21.00
3qelB-1ytsA:
22.22
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.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		5 THR A  99
LEU A 271
ALA A 283
GLN A 284
THR A 105
 None
 1.35A 3qelA-2ay9A:
4.3
3qelB-2ay9A:
5.5		 3qelA-2ay9A:
25.27
3qelB-2ay9A:
23.71
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.
2dut HETEROCHROMATIN-ASSO
CIATED PROTEIN MENT

(Gallus gallus) 		PF00079
(Serpin) 		5 ILE A 391
PHE A 390
THR A 208
PRO A 302
GLU A 355
 None
 1.20A 3qelA-2dutA:
undetectable
3qelB-2dutA:
undetectable		 3qelA-2dutA:
21.67
3qelB-2dutA:
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.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		5 LEU A 135
ALA A 160
ILE A   7
THR A 170
GLU A 166
 None
EDO  A 504 ( 4.3A)
None
None
None
 1.36A 3qelA-2gfgA:
undetectable
3qelB-2gfgA:
undetectable		 3qelA-2gfgA:
19.11
3qelB-2gfgA:
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.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 THR A 307
ARG A 331
LEU A 330
GLN A 315
ILE A 207
 None
 1.48A 3qelA-2himA:
4.2
3qelB-2himA:
3.5		 3qelA-2himA:
22.54
3qelB-2himA:
22.73
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A  99
ALA A  73
ILE A 127
THR A 210
GLU A 180
 None
 1.44A 3qelA-2hpiA:
undetectable
3qelB-2hpiA:
undetectable		 3qelA-2hpiA:
15.28
3qelB-2hpiA:
13.87
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.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 180
ALA A 447
ILE A 451
PHE A 454
THR A 127
 None
HEM  A 600 (-3.5A)
None
None
None
 1.27A 3qelA-2iagA:
undetectable
3qelB-2iagA:
undetectable		 3qelA-2iagA:
22.22
3qelB-2iagA:
21.75
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.
2ici EXOTOXIN I

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 THR A 193
LEU A 202
ILE A   9
THR A  21
GLU A  75
 None
 1.41A 3qelA-2iciA:
undetectable
3qelB-2iciA:
undetectable		 3qelA-2iciA:
21.19
3qelB-2iciA:
21.07
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.
2ok0 FAB ED10 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 140
ALA H 130
GLN H 133
THR H 199
PRO H 202
 None
 1.29A 3qelA-2ok0H:
undetectable
3qelB-2ok0H:
undetectable		 3qelA-2ok0H:
18.97
3qelB-2ok0H:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		5 THR A  18
ALA A 252
ILE A 255
THR A 286
GLU A 245
 None
 1.49A 3qelA-2oqcA:
undetectable
3qelB-2oqcA:
undetectable		 3qelA-2oqcA:
22.66
3qelB-2oqcA:
23.59
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ARG A 629
LEU A 679
ALA A 697
PHE A 693
THR A 301
 GOL  A 801 (-4.3A)
GOL  A 801 (-4.5A)
None
None
GOL  A 801 ( 4.3A)
 1.37A 3qelA-2ww2A:
undetectable
3qelB-2ww2A:
undetectable		 3qelA-2ww2A:
19.15
3qelB-2ww2A:
19.94
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 LEU A 633
GLN A 917
ILE A 916
PHE A 919
THR A 820
 None
 1.40A 3qelA-2zxqA:
undetectable
3qelB-2zxqA:
undetectable		 3qelA-2zxqA:
15.01
3qelB-2zxqA:
14.13
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 TYR A 475
ILE A 476
PHE A 477
THR A 382
GLU A 563
 None
 1.43A 3qelA-3abzA:
4.5
3qelB-3abzA:
4.9		 3qelA-3abzA:
18.71
3qelB-3abzA:
18.68
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ARG A1262
GLN A 870
PHE A 880
PRO A 842
GLU A 849
 None
 1.30A 3qelA-3av6A:
undetectable
3qelB-3av6A:
2.2		 3qelA-3av6A:
14.25
3qelB-3av6A:
14.26
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.
3c3j PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		5 LEU A 235
ALA A 310
ILE A 309
THR A 288
PRO A 261
 None
 1.50A 3qelA-3c3jA:
2.7
3qelB-3c3jA:
3.6		 3qelA-3c3jA:
21.48
3qelB-3c3jA:
21.25
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		5 THR A  14
ALA A 190
ILE A 192
PHE A 211
GLU A 185
 None
 1.49A 3qelA-3e96A:
undetectable
3qelB-3e96A:
undetectable		 3qelA-3e96A:
19.80
3qelB-3e96A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		5 THR A  75
ALA A  81
ILE A  82
PHE A  94
THR A 222
 None
 1.45A 3qelA-3hr8A:
undetectable
3qelB-3hr8A:
3.4		 3qelA-3hr8A:
22.06
3qelB-3hr8A:
22.25
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		5 ALA A 211
GLN A 215
ILE A 214
PHE A 217
THR A 156
 None
 1.20A 3qelA-3i3vA:
undetectable
3qelB-3i3vA:
2.0		 3qelA-3i3vA:
19.62
3qelB-3i3vA:
22.32
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.
3jwi METHYLTRANSFERASE
TYPE 12

(Ruminiclostridium
thermocellum) 		PF08242
(Methyltransf_12) 		5 THR A  57
LEU A  43
ALA A 105
PHE A 100
THR A  20
 None
 1.48A 3qelA-3jwiA:
4.1
3qelB-3jwiA:
4.7		 3qelA-3jwiA:
19.84
3qelB-3jwiA:
20.23
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 THR A 221
LEU A 248
ALA A 214
PHE A 196
THR A 230
 None
 1.45A 3qelA-3olzA:
29.4
3qelB-3olzA:
23.6		 3qelA-3olzA:
23.60
3qelB-3olzA:
23.79
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.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Francisella
tularensis) 		PF01380
(SIS) 		5 TYR A 319
ALA A 312
ILE A 316
THR A 581
PRO A 577
 None
 1.40A 3qelA-3tbfA:
2.9
3qelB-3tbfA:
2.7		 3qelA-3tbfA:
23.29
3qelB-3tbfA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfj GCVT-LIKE
AMINOMETHYLTRANSFERA
SE PROTEIN

(Candidatus
Pelagibacter
ubique) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 TYR A 217
ALA A 154
ILE A 155
THR A  30
PRO A  38
 None
 1.48A 3qelA-3tfjA:
undetectable
3qelB-3tfjA:
undetectable		 3qelA-3tfjA:
21.36
3qelB-3tfjA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3s ALDEHYDE
DEHYDROGENASE

(Lachnoclostridium
phytofermentans) 		PF00171
(Aldedh) 		5 ALA A  99
PHE A 423
THR A 105
PRO A 103
GLU A  58
 None
 1.35A 3qelA-4c3sA:
undetectable
3qelB-4c3sA:
2.9		 3qelA-4c3sA:
22.66
3qelB-4c3sA:
19.96
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA
F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 TYR B  68
ALA A 107
ILE A 133
THR B  58
GLU A  14
 None
 1.28A 3qelA-4ci0B:
undetectable
3qelB-4ci0B:
undetectable		 3qelA-4ci0B:
21.59
3qelB-4ci0B:
22.43
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.
4g7v VOLTAGE-SENSOR
CONTAINING
PHOSPHATASE

(Ciona
intestinalis) 		PF00520
(Ion_trans) 		5 TYR S 150
ARG S 223
LEU S 137
GLN S 147
PHE S 149
 None
 1.05A 3qelA-4g7vS:
undetectable
3qelB-4g7vS:
undetectable		 3qelA-4g7vS:
18.54
3qelB-4g7vS:
21.35
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 THR A 409
LEU A 624
ALA A 390
ILE A 592
THR A 797
 None
None
FAD  A 901 ( 4.9A)
None
None
 1.27A 3qelA-4hsuA:
2.5
3qelB-4hsuA:
undetectable		 3qelA-4hsuA:
18.90
3qelB-4hsuA:
17.54
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.
4im9 DNA PRIMASE

(Vibrio cholerae) 		PF08278
(DnaG_DnaB_bind) 		5 TYR A  27
LEU A  97
ALA A  19
GLN A  23
ILE A  22
 None
 1.40A 3qelA-4im9A:
undetectable
3qelB-4im9A:
undetectable		 3qelA-4im9A:
16.93
3qelB-4im9A:
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.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		5 LEU A 708
ILE A 534
THR A 666
PRO A 673
GLU A 539
 None
 1.41A 3qelA-4ioxA:
2.2
3qelB-4ioxA:
undetectable		 3qelA-4ioxA:
21.67
3qelB-4ioxA:
21.43
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.
4nzy PROBABLE THYMIDYLATE
KINASE

(Sulfurisphaera
tokodaii) 		PF02223
(Thymidylate_kin) 		5 TYR A  35
ILE A  88
PHE A  87
THR A  97
GLU A  10
 EPE  A 301 (-4.2A)
None
None
EDO  A 310 ( 4.9A)
None
 1.30A 3qelA-4nzyA:
3.6
3qelB-4nzyA:
undetectable		 3qelA-4nzyA:
19.57
3qelB-4nzyA:
20.94
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.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		7 ALA B 107
GLN B 110
ILE B 111
PHE B 114
THR B 174
PRO B 177
GLU B 236
 QEL  B 920 ( 3.9A)
QEL  B 920 (-3.0A)
QEL  B 920 (-4.6A)
QEL  B 920 (-3.6A)
None
QEL  B 920 (-4.6A)
QEL  B 920 (-2.9A)
 0.28A 3qelA-4pe5B:
18.7
3qelB-4pe5B:
36.0		 3qelA-4pe5B:
18.61
3qelB-4pe5B:
99.73
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.
4pkl BROMODOMAIN FACTOR 2

(Trypanosoma
brucei) 		PF00439
(Bromodomain) 		5 THR A 102
ALA A  76
ILE A  79
PHE A  99
THR A  67
 None
 1.33A 3qelA-4pklA:
undetectable
3qelB-4pklA:
undetectable		 3qelA-4pklA:
14.14
3qelB-4pklA:
15.30
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.
4rho UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF15579
(Imm52) 		5 LEU A 173
ALA A 150
ILE A   3
PHE A 116
PRO A 165
 None
 1.33A 3qelA-4rhoA:
undetectable
3qelB-4rhoA:
undetectable		 3qelA-4rhoA:
22.31
3qelB-4rhoA:
22.55
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.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila) 		PF03313
(SDH_alpha)
PF03315
(SDH_beta) 		5 TYR A 146
THR A 154
ILE A 336
THR A  57
GLU A 457
 None
 1.48A 3qelA-4rqoA:
2.6
3qelB-4rqoA:
undetectable		 3qelA-4rqoA:
22.75
3qelB-4rqoA:
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.
4s2m BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00905
(Transpeptidase) 		5 ALA A 166
GLN A 169
ILE A 170
PHE A 234
THR A 213
 None
 1.49A 3qelA-4s2mA:
undetectable
3qelB-4s2mA:
undetectable		 3qelA-4s2mA:
23.00
3qelB-4s2mA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		7 ALA B 102
GLN B 105
ILE B 106
PHE B 109
THR B 169
PRO B 172
GLU B 231
 QEM  B 901 ( 4.0A)
QEM  B 901 (-3.3A)
QEM  B 901 (-4.6A)
QEM  B 901 (-4.4A)
QEM  B 901 (-3.8A)
QEM  B 901 (-4.5A)
QEM  B 901 (-3.1A)
 0.51A 3qelA-4tllB:
30.6
3qelB-4tllB:
49.4		 3qelA-4tllB:
18.38
3qelB-4tllB:
38.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uf7 GLYCOPROTEIN

(Ghanaian bat
henipavirus) 		PF00423
(HN) 		5 TYR A 247
ALA A 586
ILE A 585
PHE A 245
THR A 517
 None
 1.42A 3qelA-4uf7A:
undetectable
3qelB-4uf7A:
undetectable		 3qelA-4uf7A:
17.91
3qelB-4uf7A:
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 TYR A 318
LEU A 313
ALA A 305
ILE A 304
THR A 116
 None
 1.40A 3qelA-4yhsA:
11.9
3qelB-4yhsA:
8.5		 3qelA-4yhsA:
22.25
3qelB-4yhsA:
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.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE

(Geobacter
metallireducens) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A  59
ALA A  63
ILE A  79
PHE A  92
GLU A  11
 None
 1.34A 3qelA-4z3yA:
undetectable
3qelB-4z3yA:
undetectable		 3qelA-4z3yA:
18.35
3qelB-4z3yA:
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.
5crc SDEA

(Legionella
pneumophila) 		PF12252
(SidE) 		5 TYR A  76
THR A 103
LEU A  78
ALA A  96
THR A  54
 TYR  A  76 ( 1.3A)
THR  A 103 ( 0.8A)
LEU  A  78 ( 0.6A)
ALA  A  96 ( 0.0A)
THR  A  54 ( 0.8A)
 1.25A 3qelA-5crcA:
undetectable
3qelB-5crcA:
undetectable		 3qelA-5crcA:
21.09
3qelB-5crcA:
23.28
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.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		5 ALA A 411
ILE A 414
THR A 225
PRO A 227
GLU A 229
 None
 1.37A 3qelA-5i6zA:
undetectable
3qelB-5i6zA:
undetectable		 3qelA-5i6zA:
21.02
3qelB-5i6zA:
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 THR A 300
LEU A 179
ALA A 159
ILE A 298
THR A 249
 None
 1.26A 3qelA-5iaiA:
undetectable
3qelB-5iaiA:
undetectable		 3qelA-5iaiA:
19.32
3qelB-5iaiA:
20.75
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		5 THR A 153
ALA A  45
ILE A  49
THR A  12
GLU A  33
 None
LLP  A  42 ( 4.1A)
None
None
None
 1.22A 3qelA-5jjcA:
3.4
3qelB-5jjcA:
undetectable		 3qelA-5jjcA:
23.96
3qelB-5jjcA:
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.
5ods CLATHRIN HEAVY CHAIN
1

(Mus musculus) 		no annotation 5 THR A 312
ALA A 307
GLN A 265
ILE A 316
THR A 158
 None
 1.35A 3qelA-5odsA:
undetectable
3qelB-5odsA:
undetectable		 3qelA-5odsA:
13.19
3qelB-5odsA:
11.68
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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 5 TYR A  43
THR A  37
ALA A 104
ILE A 108
GLU A  47
 None
 1.14A 3qelA-5olcA:
2.2
3qelB-5olcA:
2.2		 3qelA-5olcA:
13.07
3qelB-5olcA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ARG A 180
ALA A 131
ILE A 128
PHE A 125
GLU A 136
 None
 1.38A 3qelA-5thkA:
4.4
3qelB-5thkA:
3.3		 3qelA-5thkA:
22.11
3qelB-5thkA:
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.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		6 ALA D 107
GLN D 110
PHE D 114
THR D 174
PRO D 177
GLU D 236
 None
 0.46A 3qelA-5tpzD:
28.6
3qelB-5tpzD:
51.9		 3qelA-5tpzD:
25.36
3qelB-5tpzD:
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ARG A 468
ALA A 304
ILE A  55
PRO A 350
GLU A 517
 None
 1.22A 3qelA-5u3cA:
4.4
3qelB-5u3cA:
3.6		 3qelA-5u3cA:
22.32
3qelB-5u3cA:
23.33
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.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA B 100
ILE B 104
PHE B 107
PRO B 170
GLU B 227
 None
 0.79A 3qelA-5up2B:
25.3
3qelB-5up2B:
37.2		 3qelA-5up2B:
19.26
3qelB-5up2B:
49.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Escherichia
virus T4;
Mycobacterium
kansasii) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		5 TYR A 189
THR A 190
LEU A 223
ALA A 168
GLU A 201
 None
 1.34A 3qelA-5vbaA:
undetectable
3qelB-5vbaA:
undetectable		 3qelA-5vbaA:
21.71
3qelB-5vbaA:
20.73
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 THR A 440
ALA A 458
ILE A 420
THR A 497
PRO A  44
 None
 1.42A 3qelA-5vniA:
undetectable
3qelB-5vniA:
undetectable		 3qelA-5vniA:
19.92
3qelB-5vniA:
18.78
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.
5wkh D30 TCR BETA CHAIN
T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968)
no annotation 		5 THR E 120
ALA D  49
ILE D  51
PHE D  52
PRO E  50
 None
 1.31A 3qelA-5wkhE:
undetectable
3qelB-5wkhE:
undetectable		 3qelA-5wkhE:
20.26
3qelB-5wkhE:
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 TYR A  88
LEU A  90
ALA A  49
THR A  71
PRO A 141
 None
 1.44A 3qelA-5xa2A:
2.4
3qelB-5xa2A:
undetectable		 3qelA-5xa2A:
20.37
3qelB-5xa2A:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 THR A 516
ARG A 552
LEU A 554
ALA A 605
THR A 601
 None
NAG  A 815 ( 4.0A)
None
NAG  A 815 (-3.4A)
None
 1.29A 3qelA-6fhwA:
undetectable
3qelB-6fhwA:
undetectable		 3qelA-6fhwA:
13.16
3qelB-6fhwA:
11.08