SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_H_CHDH103_0

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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 LEU A  52
LEU A  56
LYS A  42
LEU A  41
LEU A  33
 None
 1.01A 4wg0H-1cttA:
undetectable
4wg0I-1cttA:
undetectable
4wg0J-1cttA:
undetectable		 4wg0H-1cttA:
6.47
4wg0I-1cttA:
6.47
4wg0J-1cttA:
6.47
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.
1f51 SPORULATION
INITIATION
PHOSPHOTRANSFERASE B

(Bacillus
subtilis) 		PF14682
(SPOB_ab)
PF14689
(SPOB_a) 		5 LEU A  71
LEU A 103
LEU A 137
ALA A 111
LEU A 110
 None
 0.99A 4wg0H-1f51A:
undetectable
4wg0I-1f51A:
undetectable
4wg0J-1f51A:
undetectable		 4wg0H-1f51A:
5.45
4wg0I-1f51A:
5.45
4wg0J-1f51A:
5.45
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		5 LEU A 401
GLU A 409
LEU A 451
ALA A 414
LEU A 416
 None
 1.13A 4wg0H-1g59A:
undetectable
4wg0I-1g59A:
undetectable
4wg0J-1g59A:
undetectable		 4wg0H-1g59A:
2.18
4wg0I-1g59A:
2.18
4wg0J-1g59A:
2.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		5 LEU A 501
LEU A 489
GLU A 460
LEU A 462
LEU A 444
 None
 1.23A 4wg0H-1m9iA:
undetectable
4wg0I-1m9iA:
undetectable
4wg0J-1m9iA:
undetectable		 4wg0H-1m9iA:
1.98
4wg0I-1m9iA:
1.98
4wg0J-1m9iA:
1.98
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 ASN A 261
LEU A 223
LEU A 226
LEU A 237
LEU A 235
 None
 0.77A 4wg0H-1m9sA:
undetectable
4wg0I-1m9sA:
undetectable
4wg0J-1m9sA:
undetectable		 4wg0H-1m9sA:
2.49
4wg0I-1m9sA:
2.49
4wg0J-1m9sA:
2.49
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.
1mbx ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLP A

(Escherichia
coli) 		PF02861
(Clp_N) 		5 LEU A  35
LEU A  31
GLU A  42
LEU A  44
LEU A 109
 None
None
YBT  A 211 (-2.4A)
None
None
 1.22A 4wg0H-1mbxA:
undetectable
4wg0I-1mbxA:
undetectable
4wg0J-1mbxA:
undetectable		 4wg0H-1mbxA:
8.21
4wg0I-1mbxA:
8.21
4wg0J-1mbxA:
8.21
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 LEU A 109
GLU A 233
LEU A 229
ALA A 246
LEU A 247
 None
 1.16A 4wg0H-1q5dA:
undetectable
4wg0I-1q5dA:
undetectable
4wg0J-1q5dA:
undetectable		 4wg0H-1q5dA:
2.86
4wg0I-1q5dA:
2.86
4wg0J-1q5dA:
2.86
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.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2) 		5 LEU A  82
GLU A 164
LEU A 168
ALA A 105
LEU A 108
 None
 1.01A 4wg0H-1r3fA:
undetectable
4wg0I-1r3fA:
undetectable
4wg0J-1r3fA:
undetectable		 4wg0H-1r3fA:
4.01
4wg0I-1r3fA:
4.01
4wg0J-1r3fA:
4.01
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 233
LEU A 160
LEU A 226
LEU A 171
TYR A 168
 None
 0.93A 4wg0H-1tx4A:
undetectable
4wg0I-1tx4A:
undetectable
4wg0J-1tx4A:
undetectable		 4wg0H-1tx4A:
6.94
4wg0I-1tx4A:
6.94
4wg0J-1tx4A:
6.94
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 284
LEU A 280
GLU A 252
LEU A 250
LEU A 246
 None
 1.07A 4wg0H-1u0mA:
undetectable
4wg0I-1u0mA:
undetectable
4wg0J-1u0mA:
undetectable		 4wg0H-1u0mA:
4.09
4wg0I-1u0mA:
4.09
4wg0J-1u0mA:
4.09
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.
1u0n PLATELET
GLYCOPROTEIN IB

(Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU D  60
LEU D  36
LEU D  51
ALA D  24
LEU D  25
 None
 1.11A 4wg0H-1u0nD:
undetectable
4wg0I-1u0nD:
undetectable
4wg0J-1u0nD:
undetectable		 4wg0H-1u0nD:
5.38
4wg0I-1u0nD:
5.38
4wg0J-1u0nD:
5.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 LEU A 197
LEU A 200
LEU A 157
ALA A 154
LEU A 155
 None
 1.02A 4wg0H-1v9cA:
undetectable
4wg0I-1v9cA:
undetectable
4wg0J-1v9cA:
undetectable		 4wg0H-1v9cA:
5.80
4wg0I-1v9cA:
5.80
4wg0J-1v9cA:
5.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		5 LEU C 460
LEU C 457
LEU C 571
ALA C 472
LEU C 473
 None
 1.12A 4wg0H-1w36C:
undetectable
4wg0I-1w36C:
undetectable
4wg0J-1w36C:
undetectable		 4wg0H-1w36C:
1.29
4wg0I-1w36C:
1.29
4wg0J-1w36C:
1.29
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.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 5 LEU A 107
ARG A 108
LEU A 111
GLU A  25
LEU A  47
 None
 1.18A 4wg0H-1wy9A:
undetectable
4wg0I-1wy9A:
undetectable
4wg0J-1wy9A:
undetectable		 4wg0H-1wy9A:
6.09
4wg0I-1wy9A:
6.09
4wg0J-1wy9A:
6.09
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.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 5 LEU A 107
ARG A 108
LEU A 111
GLU A  25
TYR A  37
 None
 0.97A 4wg0H-1wy9A:
undetectable
4wg0I-1wy9A:
undetectable
4wg0J-1wy9A:
undetectable		 4wg0H-1wy9A:
6.09
4wg0I-1wy9A:
6.09
4wg0J-1wy9A:
6.09
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.
1wy9 ALLOGRAFT
INFLAMMATORY FACTOR
1

(Mus musculus) 		no annotation 5 LEU A 107
ARG A 108
LEU A 111
LEU A  43
TYR A  37
 None
 1.09A 4wg0H-1wy9A:
undetectable
4wg0I-1wy9A:
undetectable
4wg0J-1wy9A:
undetectable		 4wg0H-1wy9A:
6.09
4wg0I-1wy9A:
6.09
4wg0J-1wy9A:
6.09
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.
2auj DNA-DIRECTED RNA
POLYMERASE BETA'
CHAIN

(Thermus
aquaticus) 		no annotation 5 LEU D 313
LEU D 242
GLU D 338
ALA D 221
LEU D 335
 None
 0.97A 4wg0H-2aujD:
undetectable
4wg0I-2aujD:
undetectable
4wg0J-2aujD:
undetectable		 4wg0H-2aujD:
6.03
4wg0I-2aujD:
6.03
4wg0J-2aujD:
6.03
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 LEU A 268
LEU A 250
ALA A 311
LEU A 310
TYR A 309
 None
 1.22A 4wg0H-2chqA:
undetectable
4wg0I-2chqA:
undetectable
4wg0J-2chqA:
undetectable		 4wg0H-2chqA:
4.64
4wg0I-2chqA:
4.64
4wg0J-2chqA:
4.64
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		5 LEU A  89
LEU A  90
LEU A 215
GLU A 223
LEU A 221
 None
 1.01A 4wg0H-2cu2A:
undetectable
4wg0I-2cu2A:
undetectable
4wg0J-2cu2A:
undetectable		 4wg0H-2cu2A:
3.42
4wg0I-2cu2A:
3.42
4wg0J-2cu2A:
3.42
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.
2cw5 BACTERIAL
FLUORINATING ENZYME
HOMOLOG

(Thermus
thermophilus) 		PF01887
(SAM_adeno_trans) 		5 LEU A 230
LEU A 179
LEU A 170
ALA A  99
LEU A  98
 None
 1.21A 4wg0H-2cw5A:
undetectable
4wg0I-2cw5A:
undetectable
4wg0J-2cw5A:
undetectable		 4wg0H-2cw5A:
8.76
4wg0I-2cw5A:
8.76
4wg0J-2cw5A:
8.76
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A 408
LEU A 428
LEU A 413
ALA A 374
LEU A 373
 None
 1.23A 4wg0H-2e9fA:
undetectable
4wg0I-2e9fA:
undetectable
4wg0J-2e9fA:
undetectable		 4wg0H-2e9fA:
2.94
4wg0I-2e9fA:
2.94
4wg0J-2e9fA:
2.94
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.
2een HYPOTHETICAL PROTEIN
PH1819

(Pyrococcus
horikoshii) 		PF01928
(CYTH) 		5 LEU A  96
GLU A  82
LEU A  64
ALA A  48
LEU A  49
 None
 1.00A 4wg0H-2eenA:
undetectable
4wg0I-2eenA:
undetectable
4wg0J-2eenA:
undetectable		 4wg0H-2eenA:
7.59
4wg0I-2eenA:
7.59
4wg0J-2eenA:
7.59
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.
2es6 VTS1P

(Saccharomyces
cerevisiae) 		PF07647
(SAM_2) 		5 LEU A 480
GLU A 489
LEU A 488
ALA A 471
LEU A 472
 None
 0.92A 4wg0H-2es6A:
undetectable
4wg0I-2es6A:
undetectable
4wg0J-2es6A:
undetectable		 4wg0H-2es6A:
11.11
4wg0I-2es6A:
11.11
4wg0J-2es6A:
11.11
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.
2fyl ALPHA-2-MACROGLOBULI
N
RECEPTOR-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF06400
(Alpha-2-MRAP_N) 		5 LEU A  49
LEU A  45
LEU A  28
LEU A  90
TYR A  88
 None
 1.14A 4wg0H-2fylA:
undetectable
4wg0I-2fylA:
undetectable
4wg0J-2fylA:
undetectable		 4wg0H-2fylA:
12.50
4wg0I-2fylA:
12.50
4wg0J-2fylA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 LEU A 271
LEU A 275
LEU A 259
ALA A 246
LEU A 249
 None
 1.01A 4wg0H-2gd2A:
undetectable
4wg0I-2gd2A:
undetectable
4wg0J-2gd2A:
undetectable		 4wg0H-2gd2A:
3.06
4wg0I-2gd2A:
3.06
4wg0J-2gd2A:
3.06
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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 LEU A 100
LEU A  99
LEU A 247
ALA A 314
LEU A 313
 None
 1.15A 4wg0H-2h8oA:
undetectable
4wg0I-2h8oA:
undetectable
4wg0J-2h8oA:
undetectable		 4wg0H-2h8oA:
3.90
4wg0I-2h8oA:
3.90
4wg0J-2h8oA:
3.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		5 ARG A 200
LEU A 203
LEU A 178
LEU A   8
TYR A  33
 None
 1.22A 4wg0H-2in3A:
undetectable
4wg0I-2in3A:
undetectable
4wg0J-2in3A:
undetectable		 4wg0H-2in3A:
4.78
4wg0I-2in3A:
4.78
4wg0J-2in3A:
4.78
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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		5 LEU A 199
LEU A 203
LEU A 178
LEU A   8
TYR A  33
 None
 1.18A 4wg0H-2in3A:
undetectable
4wg0I-2in3A:
undetectable
4wg0J-2in3A:
undetectable		 4wg0H-2in3A:
4.78
4wg0I-2in3A:
4.78
4wg0J-2in3A:
4.78
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.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 436
LEU A 398
LEU A 401
LEU A 412
LEU A 410
 None
 0.91A 4wg0H-2omvA:
undetectable
4wg0I-2omvA:
undetectable
4wg0J-2omvA:
undetectable		 4wg0H-2omvA:
4.76
4wg0I-2omvA:
4.76
4wg0J-2omvA:
4.76
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		5 LEU B 333
LEU B 310
GLU B 342
LEU B 319
LEU B 316
 None
 1.16A 4wg0H-2p1nB:
undetectable
4wg0I-2p1nB:
undetectable
4wg0J-2p1nB:
undetectable		 4wg0H-2p1nB:
3.82
4wg0I-2p1nB:
3.82
4wg0J-2p1nB:
3.82
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 LEU A 130
LEU A 637
ALA A 625
LEU A 626
TYR A 623
 None
 1.16A 4wg0H-2pggA:
undetectable
4wg0I-2pggA:
undetectable
4wg0J-2pggA:
undetectable		 4wg0H-2pggA:
2.57
4wg0I-2pggA:
2.57
4wg0J-2pggA:
2.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqq PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00027
(cNMP_binding) 		5 GLU A  52
LEU A 101
GLU A  98
ALA A  32
LEU A  31
 None
 1.14A 4wg0H-2pqqA:
undetectable
4wg0I-2pqqA:
undetectable
4wg0J-2pqqA:
undetectable		 4wg0H-2pqqA:
7.19
4wg0I-2pqqA:
7.19
4wg0J-2pqqA:
7.19
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 LEU A 166
LEU A 162
LEU A 173
ALA A  97
LEU A 126
 None
 1.18A 4wg0H-2wpgA:
undetectable
4wg0I-2wpgA:
undetectable
4wg0J-2wpgA:
undetectable		 4wg0H-2wpgA:
1.96
4wg0I-2wpgA:
1.96
4wg0J-2wpgA:
1.96
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.
2wqw INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 261
LEU A 223
LEU A 226
LEU A 237
LEU A 235
 None
 0.86A 4wg0H-2wqwA:
undetectable
4wg0I-2wqwA:
undetectable
4wg0J-2wqwA:
undetectable		 4wg0H-2wqwA:
9.00
4wg0I-2wqwA:
9.00
4wg0J-2wqwA:
9.00
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 LEU A 566
GLU A 131
LEU A 129
ALA A 112
LEU A 115
 None
 1.04A 4wg0H-2x3kA:
undetectable
4wg0I-2x3kA:
undetectable
4wg0J-2x3kA:
undetectable		 4wg0H-2x3kA:
2.54
4wg0I-2x3kA:
2.54
4wg0J-2x3kA:
2.54
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.
2y5q INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 261
LEU A 223
LEU A 226
LEU A 237
LEU A 235
 None
 0.88A 4wg0H-2y5qA:
undetectable
4wg0I-2y5qA:
undetectable
4wg0J-2y5qA:
undetectable		 4wg0H-2y5qA:
8.57
4wg0I-2y5qA:
8.57
4wg0J-2y5qA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A 131
LEU A 133
GLU A  66
LEU A  65
LEU A  96
 None
 1.23A 4wg0H-2zxoA:
undetectable
4wg0I-2zxoA:
undetectable
4wg0J-2zxoA:
undetectable		 4wg0H-2zxoA:
2.62
4wg0I-2zxoA:
2.62
4wg0J-2zxoA:
2.62
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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 LEU A 168
LEU A 166
LEU A 188
ALA A 153
LEU A 154
 None
 1.12A 4wg0H-2zyjA:
undetectable
4wg0I-2zyjA:
undetectable
4wg0J-2zyjA:
undetectable		 4wg0H-2zyjA:
3.19
4wg0I-2zyjA:
3.19
4wg0J-2zyjA:
3.19
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.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		5 LEU A 263
LEU A 258
GLU A 200
LEU A 198
LEU A 144
 None
 0.97A 4wg0H-3bjdA:
undetectable
4wg0I-3bjdA:
undetectable
4wg0J-3bjdA:
undetectable		 4wg0H-3bjdA:
2.71
4wg0I-3bjdA:
2.71
4wg0J-3bjdA:
2.71
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.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		5 ARG A 122
LEU A 113
GLU A 205
ALA A 194
LEU A 196
 None
None
None
AMP  A3001 (-3.7A)
None
 1.11A 4wg0H-3fiuA:
undetectable
4wg0I-3fiuA:
undetectable
4wg0J-3fiuA:
undetectable		 4wg0H-3fiuA:
6.40
4wg0I-3fiuA:
6.40
4wg0J-3fiuA:
6.40
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.
3gei TRNA MODIFICATION
GTPASE MNME

(Chlorobaculum
tepidum) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 LEU A 113
LEU A 109
GLU A 121
LEU A 119
GLU A 124
 None
 1.15A 4wg0H-3geiA:
undetectable
4wg0I-3geiA:
undetectable
4wg0J-3geiA:
undetectable		 4wg0H-3geiA:
2.34
4wg0I-3geiA:
2.34
4wg0J-3geiA:
2.34
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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 ASN A  41
LEU A  44
LEU A  48
LEU A  31
LEU A 124
 None
 1.23A 4wg0H-3hinA:
undetectable
4wg0I-3hinA:
undetectable
4wg0J-3hinA:
undetectable		 4wg0H-3hinA:
4.42
4wg0I-3hinA:
4.42
4wg0J-3hinA:
4.42
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 LEU A  36
LEU A  40
LEU A  23
ALA A 113
LEU A 117
 None
None
None
CL  A 257 (-3.8A)
None
 1.13A 4wg0H-3isaA:
undetectable
4wg0I-3isaA:
undetectable
4wg0J-3isaA:
undetectable		 4wg0H-3isaA:
6.47
4wg0I-3isaA:
6.47
4wg0J-3isaA:
6.47
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ASN A3960
LEU A3997
LEU A4314
ALA A3981
LEU A3982
 None
 1.15A 4wg0H-3kciA:
undetectable
4wg0I-3kciA:
undetectable
4wg0J-3kciA:
undetectable		 4wg0H-3kciA:
3.86
4wg0I-3kciA:
3.86
4wg0J-3kciA:
3.86
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.
3lg0 ORNITHINE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00202
(Aminotran_3) 		5 ASN A  59
LEU A 310
LEU A 307
LEU A 245
GLU A 234
 None
 1.11A 4wg0H-3lg0A:
undetectable
4wg0I-3lg0A:
undetectable
4wg0J-3lg0A:
undetectable		 4wg0H-3lg0A:
2.43
4wg0I-3lg0A:
2.43
4wg0J-3lg0A:
2.43
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.
3lra DISKS LARGE HOMOLOG
1, MAGUK P55
SUBFAMILY MEMBER 7,
PROTEIN LIN-7
HOMOLOG C

(Homo sapiens) 		PF02828
(L27)
PF09058
(L27_1) 		5 LEU A 160
LEU A 164
GLU A 213
ALA A 228
LEU A 229
 None
 1.11A 4wg0H-3lraA:
undetectable
4wg0I-3lraA:
undetectable
4wg0J-3lraA:
undetectable		 4wg0H-3lraA:
4.35
4wg0I-3lraA:
4.35
4wg0J-3lraA:
4.35
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		5 LEU A 245
LEU A 246
LEU A 164
ALA A 290
LEU A 289
 None
 1.03A 4wg0H-3pkoA:
undetectable
4wg0I-3pkoA:
undetectable
4wg0J-3pkoA:
undetectable		 4wg0H-3pkoA:
2.99
4wg0I-3pkoA:
2.99
4wg0J-3pkoA:
2.99
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.
3po0 SMALL ARCHAEAL
MODIFIER PROTEIN 1

(Haloferax
volcanii) 		PF02597
(ThiS) 		5 LEU A   9
LEU A   5
GLU A  43
LEU A  42
LEU A  35
 None
None
MG  A  92 (-2.2A)
None
None
 1.16A 4wg0H-3po0A:
undetectable
4wg0I-3po0A:
undetectable
4wg0J-3po0A:
undetectable		 4wg0H-3po0A:
25.00
4wg0I-3po0A:
25.00
4wg0J-3po0A:
25.00
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		5 LEU A 139
LEU A 135
GLU A  22
LEU A  24
LEU A  28
 None
 0.97A 4wg0H-3q63A:
undetectable
4wg0I-3q63A:
undetectable
4wg0J-3q63A:
undetectable		 4wg0H-3q63A:
7.64
4wg0I-3q63A:
7.64
4wg0J-3q63A:
7.64
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.
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans) 		PF13673
(Acetyltransf_10) 		5 LEU A  39
LEU A  23
LEU A  43
ALA A  52
LEU A  51
 LEU  A  39 ( 0.5A)
LEU  A  23 ( 0.6A)
LEU  A  43 ( 0.6A)
ALA  A  52 ( 0.0A)
LEU  A  51 ( 0.5A)
 1.13A 4wg0H-3s6fA:
undetectable
4wg0I-3s6fA:
undetectable
4wg0J-3s6fA:
undetectable		 4wg0H-3s6fA:
8.62
4wg0I-3s6fA:
8.62
4wg0J-3s6fA:
8.62
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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU A 244
LEU A 173
GLU A 278
LEU A 279
ALA A 272
 None
 1.21A 4wg0H-3thzA:
undetectable
4wg0I-3thzA:
undetectable
4wg0J-3thzA:
undetectable		 4wg0H-3thzA:
1.82
4wg0I-3thzA:
1.82
4wg0J-3thzA:
1.82
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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU A 372
ARG A 373
LEU A 376
LEU A 421
LEU A 602
 None
 1.12A 4wg0H-3thzA:
undetectable
4wg0I-3thzA:
undetectable
4wg0J-3thzA:
undetectable		 4wg0H-3thzA:
1.82
4wg0I-3thzA:
1.82
4wg0J-3thzA:
1.82
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 308
LEU A 281
LEU A 304
ALA A 295
LEU A 296
 None
 0.96A 4wg0H-3tmaA:
undetectable
4wg0I-3tmaA:
undetectable
4wg0J-3tmaA:
undetectable		 4wg0H-3tmaA:
4.20
4wg0I-3tmaA:
4.20
4wg0J-3tmaA:
4.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uit INAD-LIKE PROTEIN,
MAGUK P55 SUBFAMILY
MEMBER 5, PROTEIN
LIN-7 HOMOLOG B

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF02828
(L27)
PF09045
(L27_2)
PF09060
(L27_N) 		5 LEU A 166
LEU A 170
GLU A 221
ALA A 236
LEU A 237
 None
 1.19A 4wg0H-3uitA:
undetectable
4wg0I-3uitA:
undetectable
4wg0J-3uitA:
undetectable		 4wg0H-3uitA:
4.25
4wg0I-3uitA:
4.25
4wg0J-3uitA:
4.25
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ASN A  55
LEU A  52
LEU A  48
ALA A 193
LEU A 197
 None
 1.22A 4wg0H-3wxyA:
undetectable
4wg0I-3wxyA:
undetectable
4wg0J-3wxyA:
undetectable		 4wg0H-3wxyA:
3.08
4wg0I-3wxyA:
3.08
4wg0J-3wxyA:
3.08
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 LEU A  60
LEU A  40
LEU A  68
GLU A  73
ALA A  74
 None
 1.18A 4wg0H-4avyA:
undetectable
4wg0I-4avyA:
undetectable
4wg0J-4avyA:
undetectable		 4wg0H-4avyA:
5.49
4wg0I-4avyA:
5.49
4wg0J-4avyA:
5.49
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.
4ecd CHORISMATE SYNTHASE

(Bifidobacterium
longum) 		PF01264
(Chorismate_synt) 		5 LEU A 244
GLU A 356
ALA A 364
LEU A 363
TYR A 366
 None
 1.11A 4wg0H-4ecdA:
undetectable
4wg0I-4ecdA:
undetectable
4wg0J-4ecdA:
undetectable		 4wg0H-4ecdA:
2.37
4wg0I-4ecdA:
2.37
4wg0J-4ecdA:
2.37
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 LEU A  31
LEU A  34
LEU A  26
GLU A 109
LEU A 110
 None
None
None
GOL  A 301 (-3.8A)
None
 1.05A 4wg0H-4fzwA:
undetectable
4wg0I-4fzwA:
undetectable
4wg0J-4fzwA:
undetectable		 4wg0H-4fzwA:
4.65
4wg0I-4fzwA:
4.65
4wg0J-4fzwA:
4.65
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A 273
LEU A 140
ALA A 102
LEU A 103
TYR A 100
 None
 1.17A 4wg0H-4gr4A:
undetectable
4wg0I-4gr4A:
undetectable
4wg0J-4gr4A:
undetectable		 4wg0H-4gr4A:
2.24
4wg0I-4gr4A:
2.24
4wg0J-4gr4A:
2.24
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.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A 273
LEU A 140
ALA A 102
LEU A 103
TYR A 100
 None
 1.14A 4wg0H-4gr5A:
undetectable
4wg0I-4gr5A:
undetectable
4wg0J-4gr5A:
undetectable		 4wg0H-4gr5A:
2.24
4wg0I-4gr5A:
2.24
4wg0J-4gr5A:
2.24
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Rhodopseudomonas
palustris;
Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A   9
LEU A 219
LEU A  71
LEU A  34
TYR A  31
 None
None
None
None
MLY  A  18 ( 4.7A)
 1.19A 4wg0H-4gxrA:
undetectable
4wg0I-4gxrA:
undetectable
4wg0J-4gxrA:
undetectable		 4wg0H-4gxrA:
2.49
4wg0I-4gxrA:
2.49
4wg0J-4gxrA:
2.49
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.
4jcs ENOYL-COA
HYDRATASE/ISOMERASE

(Cupriavidus
metallidurans) 		PF00378
(ECH_1) 		5 LEU A 168
LEU A 178
LEU A 161
ALA A 145
LEU A 149
 None
 1.21A 4wg0H-4jcsA:
undetectable
4wg0I-4jcsA:
undetectable
4wg0J-4jcsA:
undetectable		 4wg0H-4jcsA:
4.92
4wg0I-4jcsA:
4.92
4wg0J-4jcsA:
4.92
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 LEU A  80
LEU A 101
LEU A 238
ALA A 230
LEU A 234
 None
 1.16A 4wg0H-4l4xA:
undetectable
4wg0I-4l4xA:
undetectable
4wg0J-4l4xA:
undetectable		 4wg0H-4l4xA:
2.14
4wg0I-4l4xA:
2.14
4wg0J-4l4xA:
2.14
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.
4ndw NUCLEOID-ASSOCIATED
PROTEIN ESPR

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  48
LEU A  45
LEU A   9
ALA A  63
LEU A  64
 None
 1.21A 4wg0H-4ndwA:
undetectable
4wg0I-4ndwA:
undetectable
4wg0J-4ndwA:
undetectable		 4wg0H-4ndwA:
5.88
4wg0I-4ndwA:
5.88
4wg0J-4ndwA:
5.88
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		5 LEU A 377
LEU A 380
LEU A 450
ALA A 411
LEU A 415
 None
 1.04A 4wg0H-4oahA:
undetectable
4wg0I-4oahA:
undetectable
4wg0J-4oahA:
undetectable		 4wg0H-4oahA:
6.74
4wg0I-4oahA:
6.74
4wg0J-4oahA:
6.74
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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 LEU B  75
LEU B  72
GLU B  55
LEU B  85
LEU B  87
 None
 1.03A 4wg0H-4peqB:
undetectable
4wg0I-4peqB:
undetectable
4wg0J-4peqB:
undetectable		 4wg0H-4peqB:
5.61
4wg0I-4peqB:
5.61
4wg0J-4peqB:
5.61
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.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 LEU A2251
LEU A2252
LEU A2212
ALA A2195
LEU A2196
 None
 0.98A 4wg0H-4rlvA:
undetectable
4wg0I-4rlvA:
undetectable
4wg0J-4rlvA:
undetectable		 4wg0H-4rlvA:
1.21
4wg0I-4rlvA:
1.21
4wg0J-4rlvA:
1.21
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.
4rly NAV1.2 - ANKB
CHIMERA

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A2116
GLU A2082
LEU A2084
ALA A2067
LEU A2068
 None
 1.16A 4wg0H-4rlyA:
undetectable
4wg0I-4rlyA:
undetectable
4wg0J-4rlyA:
undetectable		 4wg0H-4rlyA:
6.31
4wg0I-4rlyA:
6.31
4wg0J-4rlyA:
6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rly NAV1.2 - ANKB
CHIMERA

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A2251
LEU A2252
LEU A2212
ALA A2195
LEU A2196
 SO4  A2406 (-4.2A)
None
None
None
None
 1.04A 4wg0H-4rlyA:
undetectable
4wg0I-4rlyA:
undetectable
4wg0J-4rlyA:
undetectable		 4wg0H-4rlyA:
6.31
4wg0I-4rlyA:
6.31
4wg0J-4rlyA:
6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 LEU A  66
LEU A 172
LEU A  18
ALA A  23
LEU A  24
 None
 1.19A 4wg0H-4u63A:
undetectable
4wg0I-4u63A:
undetectable
4wg0J-4u63A:
undetectable		 4wg0H-4u63A:
4.66
4wg0I-4u63A:
4.66
4wg0J-4u63A:
4.66
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.
4wyu PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  24
LEU A  26
GLU A  94
LEU A  17
LEU A  97
 None
 1.20A 4wg0H-4wyuA:
undetectable
4wg0I-4wyuA:
undetectable
4wg0J-4wyuA:
undetectable		 4wg0H-4wyuA:
8.70
4wg0I-4wyuA:
8.70
4wg0J-4wyuA:
8.70
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.
4wzx SERINE/THREONINE-PRO
TEIN KINASE ULK3

(Homo sapiens) 		PF04212
(MIT) 		5 LEU A  65
LEU A  78
LEU A  28
ALA A  35
LEU A  32
 None
 1.23A 4wg0H-4wzxA:
undetectable
4wg0I-4wzxA:
undetectable
4wg0J-4wzxA:
undetectable		 4wg0H-4wzxA:
8.99
4wg0I-4wzxA:
8.99
4wg0J-4wzxA:
8.99
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli) 		PF05845
(PhnH) 		5 ASN B  74
LEU B  77
ARG B  78
LEU B  52
ALA B  92
 None
 1.05A 4wg0H-4xb6B:
undetectable
4wg0I-4xb6B:
undetectable
4wg0J-4xb6B:
undetectable		 4wg0H-4xb6B:
5.75
4wg0I-4xb6B:
5.75
4wg0J-4xb6B:
5.75
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 699
GLU A 655
ALA A 658
LEU A 657
TYR A 660
 None
 1.14A 4wg0H-4xmvA:
undetectable
4wg0I-4xmvA:
undetectable
4wg0J-4xmvA:
undetectable		 4wg0H-4xmvA:
1.38
4wg0I-4xmvA:
1.38
4wg0J-4xmvA:
1.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 699
LEU A 696
GLU A 647
LEU A 649
LEU A 595
 None
 1.18A 4wg0H-5a0zA:
undetectable
4wg0I-5a0zA:
undetectable
4wg0J-5a0zA:
undetectable		 4wg0H-5a0zA:
2.41
4wg0I-5a0zA:
2.41
4wg0J-5a0zA:
2.41
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 LEU A 352
LEU A 441
LEU A 360
ALA A 412
LEU A 413
 None
 1.15A 4wg0H-5b5rA:
undetectable
4wg0I-5b5rA:
undetectable
4wg0J-5b5rA:
undetectable		 4wg0H-5b5rA:
3.51
4wg0I-5b5rA:
3.51
4wg0J-5b5rA:
3.51
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.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 LEU A 100
ARG A 102
LEU A 120
ALA A 132
LEU A 133
 None
 1.20A 4wg0H-5cm9A:
undetectable
4wg0I-5cm9A:
undetectable
4wg0J-5cm9A:
undetectable		 4wg0H-5cm9A:
3.19
4wg0I-5cm9A:
3.19
4wg0J-5cm9A:
3.19
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.
5dtp PROBABLE ENOYL-COA
HYDRATASE ECHA6

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 LEU A  75
LEU A  78
LEU A  24
ALA A 105
LEU A 104
 None
 1.08A 4wg0H-5dtpA:
undetectable
4wg0I-5dtpA:
undetectable
4wg0J-5dtpA:
undetectable		 4wg0H-5dtpA:
4.90
4wg0I-5dtpA:
4.90
4wg0J-5dtpA:
4.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f0l VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 26A

(Homo sapiens) 		PF03643
(Vps26) 		5 LEU B  18
GLU B 146
LEU B 132
LEU B 149
TYR B  40
 None
None
None
None
GOL  B 406 (-4.1A)
 0.85A 4wg0H-5f0lB:
undetectable
4wg0I-5f0lB:
undetectable
4wg0J-5f0lB:
undetectable		 4wg0H-5f0lB:
6.32
4wg0I-5f0lB:
6.32
4wg0J-5f0lB:
6.32
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 LEU A  51
LEU A  47
LEU A  70
ALA A  30
LEU A  34
 None
 1.03A 4wg0H-5h2vA:
undetectable
4wg0I-5h2vA:
undetectable
4wg0J-5h2vA:
undetectable		 4wg0H-5h2vA:
1.22
4wg0I-5h2vA:
1.22
4wg0J-5h2vA:
1.22
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC

(Escherichia
coli) 		PF09344
(Cas_CT1975) 		5 LEU D 175
GLU D 145
LYS D 144
LEU D 143
LEU D 139
 None
 1.12A 4wg0H-5h9fD:
undetectable
4wg0I-5h9fD:
undetectable
4wg0J-5h9fD:
undetectable		 4wg0H-5h9fD:
3.24
4wg0I-5h9fD:
3.24
4wg0J-5h9fD:
3.24
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 LEU A 401
LEU A 203
GLU A 396
LEU A 397
ALA A 426
 None
 1.21A 4wg0H-5habA:
undetectable
4wg0I-5habA:
undetectable
4wg0J-5habA:
undetectable		 4wg0H-5habA:
3.56
4wg0I-5habA:
3.56
4wg0J-5habA:
3.56
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.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		5 ARG A 382
LEU A 380
GLU A 653
LEU A 655
LEU A 618
 None
 1.13A 4wg0H-5iq6A:
undetectable
4wg0I-5iq6A:
undetectable
4wg0J-5iq6A:
undetectable		 4wg0H-5iq6A:
2.09
4wg0I-5iq6A:
2.09
4wg0J-5iq6A:
2.09
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.
5iy6 GENERAL
TRANSCRIPTION FACTOR
IIF SUBUNIT 2

(Homo sapiens) 		PF02270
(TFIIF_beta) 		5 LEU T 199
GLU T 219
LYS T 218
LEU T 217
LEU T 213
 None
 1.16A 4wg0H-5iy6T:
undetectable
4wg0I-5iy6T:
undetectable
4wg0J-5iy6T:
undetectable		 4wg0H-5iy6T:
5.78
4wg0I-5iy6T:
5.78
4wg0J-5iy6T:
5.78
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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 169
ARG A 170
LEU A 173
LEU A 192
TYR A 214
 None
 1.05A 4wg0H-5loxA:
undetectable
4wg0I-5loxA:
undetectable
4wg0J-5loxA:
undetectable		 4wg0H-5loxA:
3.93
4wg0I-5loxA:
3.93
4wg0J-5loxA:
3.93
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 LEU A 326
GLU A 101
LEU A 102
ALA A  71
LEU A  70
 None
 1.17A 4wg0H-5mswA:
undetectable
4wg0I-5mswA:
undetectable
4wg0J-5mswA:
undetectable		 4wg0H-5mswA:
1.10
4wg0I-5mswA:
1.10
4wg0J-5mswA:
1.10
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 LEU T3140
LEU T3141
LEU T3156
ALA T3166
LEU T3167
 None
 0.86A 4wg0H-5ojsT:
undetectable
4wg0I-5ojsT:
undetectable
4wg0J-5ojsT:
undetectable		 4wg0H-5ojsT:
0.35
4wg0I-5ojsT:
0.35
4wg0J-5ojsT:
0.35
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU B 169
LEU B 164
LEU B 185
ALA B 202
LEU B 203
 None
 1.00A 4wg0H-5op0B:
undetectable
4wg0I-5op0B:
undetectable
4wg0J-5op0B:
undetectable		 4wg0H-5op0B:
6.91
4wg0I-5op0B:
6.91
4wg0J-5op0B:
6.91
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.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 LEU A  88
LEU A  84
ALA A  59
LEU A  58
TYR A  61
 None
 0.92A 4wg0H-5ovtA:
undetectable
4wg0I-5ovtA:
undetectable
4wg0J-5ovtA:
undetectable		 4wg0H-5ovtA:
undetectable
4wg0I-5ovtA:
undetectable
4wg0J-5ovtA:
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.
5tub SHARK TBC1D15
GTPASE-ACTIVATING
PROTEIN

(Squalimorphii) 		PF00566
(RabGAP-TBC) 		5 LEU A 648
LEU A 525
ALA A 627
LEU A 584
TYR A 631
 None
 1.16A 4wg0H-5tubA:
undetectable
4wg0I-5tubA:
undetectable
4wg0J-5tubA:
undetectable		 4wg0H-5tubA:
3.17
4wg0I-5tubA:
3.17
4wg0J-5tubA:
3.17
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.
5vwi PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		no annotation 5 LEU A  24
LEU A  26
GLU A  94
LEU A  17
LEU A  97
 None
 1.23A 4wg0H-5vwiA:
undetectable
4wg0I-5vwiA:
undetectable
4wg0J-5vwiA:
undetectable		 4wg0H-5vwiA:
9.38
4wg0I-5vwiA:
9.38
4wg0J-5vwiA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN

(Vibrio
vulnificus) 		no annotation 5 LEU A4048
LEU A3897
GLU A4011
LEU A4013
ALA A4005
 LEU  A4048 ( 0.6A)
LEU  A3897 ( 0.6A)
GLU  A4011 ( 0.6A)
LEU  A4013 ( 0.5A)
ALA  A4005 ( 0.0A)
 1.17A 4wg0H-5w6lA:
undetectable
4wg0I-5w6lA:
undetectable
4wg0J-5w6lA:
undetectable		 4wg0H-5w6lA:
undetectable
4wg0I-5w6lA:
undetectable
4wg0J-5w6lA:
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.
5wt7 PERIOSTIN

(Homo sapiens) 		no annotation 5 LEU A  21
LEU A  24
GLU A   9
LEU A  11
LEU A  33
 None
 1.11A 4wg0H-5wt7A:
undetectable
4wg0I-5wt7A:
undetectable
4wg0J-5wt7A:
undetectable		 4wg0H-5wt7A:
undetectable
4wg0I-5wt7A:
undetectable
4wg0J-5wt7A:
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 LEU A 291
GLU A 342
LEU A 340
GLU A 345
LEU A 351
 None
 1.14A 4wg0H-5x7sA:
undetectable
4wg0I-5x7sA:
undetectable
4wg0J-5x7sA:
undetectable		 4wg0H-5x7sA:
1.25
4wg0I-5x7sA:
1.25
4wg0J-5x7sA:
1.25
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.
5x9u THERMOSOME, ALPHA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		no annotation 5 LEU A 326
LEU A 221
LEU A 322
GLU A 262
LEU A 260
 None
 1.20A 4wg0H-5x9uA:
undetectable
4wg0I-5x9uA:
undetectable
4wg0J-5x9uA:
undetectable		 4wg0H-5x9uA:
3.48
4wg0I-5x9uA:
3.48
4wg0J-5x9uA:
3.48
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 LEU A 110
LEU A  40
LEU A  31
ALA A  80
LEU A  79
 None
 1.05A 4wg0H-5xohA:
undetectable
4wg0I-5xohA:
undetectable
4wg0J-5xohA:
undetectable		 4wg0H-5xohA:
undetectable
4wg0I-5xohA:
undetectable
4wg0J-5xohA:
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 LEU A 179
GLU A 212
LEU A 210
LEU A 206
TYR A 203
 None
 0.89A 4wg0H-5xwqA:
undetectable
4wg0I-5xwqA:
undetectable
4wg0J-5xwqA:
undetectable		 4wg0H-5xwqA:
undetectable
4wg0I-5xwqA:
undetectable
4wg0J-5xwqA:
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.
5xxu RIBOSOMAL PROTEIN
US11
RIBOSOMAL PROTEIN
ES26

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00411
(Ribosomal_S11)
PF00318
(Ribosomal_S2) 		5 ASN a  43
LEU a  64
LEU a  53
ALA O 117
LEU O 121
 None
 1.12A 4wg0H-5xxua:
undetectable
4wg0I-5xxua:
undetectable
4wg0J-5xxua:
undetectable		 4wg0H-5xxua:
11.76
4wg0I-5xxua:
11.76
4wg0J-5xxua:
11.76
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 LEU A2251
LEU A2252
LEU A2212
ALA A2195
LEU A2196
 None
 0.96A 4wg0H-5y4dA:
undetectable
4wg0I-5y4dA:
undetectable
4wg0J-5y4dA:
undetectable		 4wg0H-5y4dA:
1.38
4wg0I-5y4dA:
1.38
4wg0J-5y4dA:
1.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 LEU A  65
LEU A  64
LEU A 881
ALA A 693
LEU A 695
 None
 1.18A 4wg0H-6eotA:
undetectable
4wg0I-6eotA:
undetectable
4wg0J-6eotA:
undetectable		 4wg0H-6eotA:
undetectable
4wg0I-6eotA:
undetectable
4wg0J-6eotA:
undetectable