SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_J_CHDJ103

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.
1ag9 FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 LEU A  50
LEU A  52
LEU A  44
GLU A  75
LEU A  73
 None
 0.99A 4wg0J-1ag9A:
undetectable
4wg0K-1ag9A:
undetectable
4wg0L-1ag9A:
undetectable		 4wg0J-1ag9A:
6.57
4wg0K-1ag9A:
6.57
4wg0L-1ag9A:
6.57
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.
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 4wg0J-1cttA:
undetectable
4wg0K-1cttA:
undetectable
4wg0L-1cttA:
undetectable		 4wg0J-1cttA:
6.47
4wg0K-1cttA:
6.47
4wg0L-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.
1hw2 FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Escherichia
coli) 		PF00392
(GntR)
PF07840
(FadR_C) 		5 LEU A 152
GLU A 126
ALA A 129
LEU A 128
TYR A 193
 None
 0.94A 4wg0J-1hw2A:
undetectable
4wg0K-1hw2A:
undetectable
4wg0L-1hw2A:
undetectable		 4wg0J-1hw2A:
6.57
4wg0K-1hw2A:
6.57
4wg0L-1hw2A:
6.57
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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 ARG A 492
LEU A 493
LEU A 521
GLU A 448
ALA A 449
 None
 1.16A 4wg0J-1irxA:
undetectable
4wg0K-1irxA:
undetectable
4wg0L-1irxA:
undetectable		 4wg0J-1irxA:
4.17
4wg0K-1irxA:
4.17
4wg0L-1irxA:
4.17
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.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		5 LEU A 501
LEU A 489
GLU A 460
LEU A 462
LEU A 444
 None
 0.94A 4wg0J-1m9iA:
undetectable
4wg0K-1m9iA:
undetectable
4wg0L-1m9iA:
undetectable		 4wg0J-1m9iA:
1.98
4wg0K-1m9iA:
1.98
4wg0L-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
 0.78A 4wg0J-1m9sA:
undetectable
4wg0K-1m9sA:
undetectable
4wg0L-1m9sA:
undetectable		 4wg0J-1m9sA:
2.49
4wg0K-1m9sA:
2.49
4wg0L-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.
1ofu HYPOTHETICAL PROTEIN
PA3008

(Pseudomonas
aeruginosa) 		PF03846
(SulA) 		5 LEU X  78
ARG X 101
LEU X  80
ALA X  95
LEU X  92
 None
 1.18A 4wg0J-1ofuX:
undetectable
4wg0K-1ofuX:
undetectable
4wg0L-1ofuX:
undetectable		 4wg0J-1ofuX:
13.24
4wg0K-1ofuX:
13.24
4wg0L-1ofuX:
13.24
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		5 LEU A 103
LEU A 107
LEU A  68
GLU A  94
LEU A  92
 None
 1.15A 4wg0J-1p9bA:
undetectable
4wg0K-1p9bA:
undetectable
4wg0L-1p9bA:
undetectable		 4wg0J-1p9bA:
5.00
4wg0K-1p9bA:
5.00
4wg0L-1p9bA:
5.00
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 LEU A 400
LEU A 396
GLU A 505
LEU A 508
TYR A 369
 None
 1.12A 4wg0J-1rqgA:
undetectable
4wg0K-1rqgA:
undetectable
4wg0L-1rqgA:
undetectable		 4wg0J-1rqgA:
2.23
4wg0K-1rqgA:
2.23
4wg0L-1rqgA:
2.23
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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 LEU A  43
LEU A  67
GLU A  24
LEU A  26
LEU A  56
 None
 1.06A 4wg0J-1sifA:
undetectable
4wg0K-1sifA:
undetectable
4wg0L-1sifA:
undetectable		 4wg0J-1sifA:
12.24
4wg0K-1sifA:
12.24
4wg0L-1sifA:
12.24
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 233
LEU A 160
LEU A 226
LEU A 171
TYR A 168
 None
 0.94A 4wg0J-1tx4A:
undetectable
4wg0K-1tx4A:
undetectable
4wg0L-1tx4A:
undetectable		 4wg0J-1tx4A:
6.94
4wg0K-1tx4A:
6.94
4wg0L-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.
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
 1.08A 4wg0J-1u0nD:
undetectable
4wg0K-1u0nD:
undetectable
4wg0L-1u0nD:
undetectable		 4wg0J-1u0nD:
5.38
4wg0K-1u0nD:
5.38
4wg0L-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.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		5 LEU A 133
ARG A 135
LEU A 134
LYS A  99
LEU A 102
 None
 1.14A 4wg0J-1v84A:
undetectable
4wg0K-1v84A:
undetectable
4wg0L-1v84A:
undetectable		 4wg0J-1v84A:
5.22
4wg0K-1v84A:
5.22
4wg0L-1v84A:
5.22
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.
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
 1.10A 4wg0J-1w36C:
undetectable
4wg0K-1w36C:
undetectable
4wg0L-1w36C:
undetectable		 4wg0J-1w36C:
1.29
4wg0K-1w36C:
1.29
4wg0L-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
LEU A  43
TYR A  37
 None
 1.02A 4wg0J-1wy9A:
undetectable
4wg0K-1wy9A:
undetectable
4wg0L-1wy9A:
undetectable		 4wg0J-1wy9A:
6.09
4wg0K-1wy9A:
6.09
4wg0L-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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ASN A 355
LEU A 358
LEU A 313
GLU A 414
LEU A 192
 None
 1.15A 4wg0J-1yfmA:
undetectable
4wg0K-1yfmA:
undetectable
4wg0L-1yfmA:
undetectable		 4wg0J-1yfmA:
2.52
4wg0K-1yfmA:
2.52
4wg0L-1yfmA:
2.52
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.
1z63 HELICASE OF THE
SNF2/RAD54 FAMILY

(Sulfolobus
solfataricus) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 ASN A 596
LEU A 601
GLU A 636
ALA A 634
LEU A 638
 None
 1.10A 4wg0J-1z63A:
undetectable
4wg0K-1z63A:
undetectable
4wg0L-1z63A:
undetectable		 4wg0J-1z63A:
2.75
4wg0K-1z63A:
2.75
4wg0L-1z63A:
2.75
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.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ASN A   7
LEU A  10
GLU A 199
LYS A 200
LEU A 203
 None
 0.78A 4wg0J-2c1uA:
undetectable
4wg0K-2c1uA:
undetectable
4wg0L-2c1uA:
undetectable		 4wg0J-2c1uA:
3.59
4wg0K-2c1uA:
3.59
4wg0L-2c1uA:
3.59
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.
2daz INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  38
LEU A  40
LEU A 105
GLU A  78
LEU A  76
 None
 1.17A 4wg0J-2dazA:
undetectable
4wg0K-2dazA:
undetectable
4wg0L-2dazA:
undetectable		 4wg0J-2dazA:
14.58
4wg0K-2dazA:
14.58
4wg0L-2dazA:
14.58
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 LEU A 241
LEU A 349
GLU A 343
LEU A 337
TYR A 333
 None
 1.05A 4wg0J-2efjA:
undetectable
4wg0K-2efjA:
undetectable
4wg0L-2efjA:
undetectable		 4wg0J-2efjA:
3.12
4wg0K-2efjA:
3.12
4wg0L-2efjA:
3.12
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.
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 4wg0J-2fylA:
undetectable
4wg0K-2fylA:
undetectable
4wg0L-2fylA:
undetectable		 4wg0J-2fylA:
12.50
4wg0K-2fylA:
12.50
4wg0L-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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		6 LEU A 199
ARG A 200
LEU A 203
LEU A 178
LEU A   8
TYR A  33
 None
 1.19A 4wg0J-2in3A:
undetectable
4wg0K-2in3A:
undetectable
4wg0L-2in3A:
undetectable		 4wg0J-2in3A:
4.78
4wg0K-2in3A:
4.78
4wg0L-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.
2jzk CYANOVIRIN-N HOMOLOG

(Tuber borchii) 		PF08881
(CVNH) 		5 LEU A  37
LEU A  71
GLU A  34
LEU A  19
LEU A  12
 None
 1.01A 4wg0J-2jzkA:
undetectable
4wg0K-2jzkA:
undetectable
4wg0L-2jzkA:
undetectable		 4wg0J-2jzkA:
19.05
4wg0K-2jzkA:
19.05
4wg0L-2jzkA:
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.
2ka0 UNCHARACTERIZED
PROTEIN TM1367

(Thermotoga
maritima) 		PF04126
(Cyclophil_like) 		5 LEU A   5
GLU A  42
LEU A  77
ALA A  74
LEU A  75
 None
 1.04A 4wg0J-2ka0A:
undetectable
4wg0K-2ka0A:
undetectable
4wg0L-2ka0A:
undetectable		 4wg0J-2ka0A:
8.77
4wg0K-2ka0A:
8.77
4wg0L-2ka0A:
8.77
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 LEU A  59
ARG A  60
LEU A  16
GLU A  25
ALA A  28
 None
 1.05A 4wg0J-2og7A:
undetectable
4wg0K-2og7A:
undetectable
4wg0L-2og7A:
undetectable		 4wg0J-2og7A:
4.20
4wg0K-2og7A:
4.20
4wg0L-2og7A:
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.
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
 0.90A 4wg0J-2omvA:
undetectable
4wg0K-2omvA:
undetectable
4wg0L-2omvA:
undetectable		 4wg0J-2omvA:
4.76
4wg0K-2omvA:
4.76
4wg0L-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.
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
 1.15A 4wg0J-2pggA:
undetectable
4wg0K-2pggA:
undetectable
4wg0L-2pggA:
undetectable		 4wg0J-2pggA:
2.57
4wg0K-2pggA:
2.57
4wg0L-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.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		5 LEU A 526
LEU A 508
GLU A 514
ALA A 515
LEU A 512
 None
 1.10A 4wg0J-2qptA:
undetectable
4wg0K-2qptA:
undetectable
4wg0L-2qptA:
undetectable		 4wg0J-2qptA:
2.84
4wg0K-2qptA:
2.84
4wg0L-2qptA:
2.84
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.
2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 280
LEU A 236
GLU A 230
ALA A 229
LEU A 232
 LEU  A 280 ( 0.6A)
LEU  A 236 ( 0.6A)
GLU  A 230 ( 0.6A)
ALA  A 229 ( 0.0A)
LEU  A 232 ( 0.6A)
 0.75A 4wg0J-2qv2A:
undetectable
4wg0K-2qv2A:
undetectable
4wg0L-2qv2A:
undetectable		 4wg0J-2qv2A:
3.69
4wg0K-2qv2A:
3.69
4wg0L-2qv2A:
3.69
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 LEU A 366
LEU A 390
GLU A 418
LEU A 420
LEU A 424
 None
 1.14A 4wg0J-2vf8A:
undetectable
4wg0K-2vf8A:
undetectable
4wg0L-2vf8A:
undetectable		 4wg0J-2vf8A:
2.38
4wg0K-2vf8A:
2.38
4wg0L-2vf8A:
2.38
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.
2wcu PROTEIN FUCU HOMOLOG

(Mus musculus) 		PF05025
(RbsD_FucU) 		5 LEU A  30
LEU A  59
GLU A  27
LEU A 143
TYR A  98
 None
 1.16A 4wg0J-2wcuA:
undetectable
4wg0K-2wcuA:
undetectable
4wg0L-2wcuA:
undetectable		 4wg0J-2wcuA:
8.41
4wg0K-2wcuA:
8.41
4wg0L-2wcuA:
8.41
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.
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
 1.17A 4wg0J-2wpgA:
undetectable
4wg0K-2wpgA:
undetectable
4wg0L-2wpgA:
undetectable		 4wg0J-2wpgA:
1.96
4wg0K-2wpgA:
1.96
4wg0L-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
 0.85A 4wg0J-2wqwA:
undetectable
4wg0K-2wqwA:
undetectable
4wg0L-2wqwA:
undetectable		 4wg0J-2wqwA:
9.00
4wg0K-2wqwA:
9.00
4wg0L-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.
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
 0.90A 4wg0J-2y5qA:
undetectable
4wg0K-2y5qA:
undetectable
4wg0L-2y5qA:
undetectable		 4wg0J-2y5qA:
8.57
4wg0K-2y5qA:
8.57
4wg0L-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.
2z84 UFM1-SPECIFIC
PROTEASE 1

(Mus musculus) 		PF07910
(Peptidase_C78) 		5 LEU A 121
LEU A 211
LEU A 127
GLU A 132
LEU A 134
 None
 1.15A 4wg0J-2z84A:
undetectable
4wg0K-2z84A:
undetectable
4wg0L-2z84A:
undetectable		 4wg0J-2z84A:
7.53
4wg0K-2z84A:
7.53
4wg0L-2z84A:
7.53
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.
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
 1.08A 4wg0J-2zyjA:
undetectable
4wg0K-2zyjA:
undetectable
4wg0L-2zyjA:
undetectable		 4wg0J-2zyjA:
3.19
4wg0K-2zyjA:
3.19
4wg0L-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.
3bhq TRANSCRIPTIONAL
REGULATOR

(Mesorhizobium
japonicum) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 LEU A 165
LEU A  91
GLU A 199
ALA A 203
LEU A 202
 None
 1.13A 4wg0J-3bhqA:
undetectable
4wg0K-3bhqA:
undetectable
4wg0L-3bhqA:
undetectable		 4wg0J-3bhqA:
5.08
4wg0K-3bhqA:
5.08
4wg0L-3bhqA:
5.08
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.
3bhq TRANSCRIPTIONAL
REGULATOR

(Mesorhizobium
japonicum) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 LEU A 165
LEU A  91
GLU A 199
ALA A 203
TYR A 205
 None
 1.01A 4wg0J-3bhqA:
undetectable
4wg0K-3bhqA:
undetectable
4wg0L-3bhqA:
undetectable		 4wg0J-3bhqA:
5.08
4wg0K-3bhqA:
5.08
4wg0L-3bhqA:
5.08
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.
3c6v PROBABLE
TAUTOMERASE/DEHALOGE
NASE AU4130

(Aspergillus
fumigatus) 		PF14832
(Tautomerase_3) 		5 LEU A  21
LEU A  90
GLU A 102
ALA A  63
LEU A  64
 None
 1.07A 4wg0J-3c6vA:
undetectable
4wg0K-3c6vA:
undetectable
4wg0L-3c6vA:
undetectable		 4wg0J-3c6vA:
9.17
4wg0K-3c6vA:
9.17
4wg0L-3c6vA:
9.17
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.
3d8n UROPORPHYRINOGEN-III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		5 ARG A  89
LEU A  56
GLU A 144
LEU A 142
LEU A 119
 None
 1.18A 4wg0J-3d8nA:
undetectable
4wg0K-3d8nA:
undetectable
4wg0L-3d8nA:
undetectable		 4wg0J-3d8nA:
4.78
4wg0K-3d8nA:
4.78
4wg0L-3d8nA:
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.
3gf9 INTERSECTIN 2

(Homo sapiens) 		PF00621
(RhoGEF) 		5 ASN A1236
LEU A1239
LEU A1243
LEU A1263
LEU A1189
 None
 0.88A 4wg0J-3gf9A:
undetectable
4wg0K-3gf9A:
undetectable
4wg0L-3gf9A:
undetectable		 4wg0J-3gf9A:
3.73
4wg0K-3gf9A:
3.73
4wg0L-3gf9A:
3.73
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.
3gse MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Yersinia pestis) 		PF00425
(Chorismate_bind) 		5 LEU A 130
GLU A  10
LEU A  11
ALA A  32
LEU A 141
 None
 1.02A 4wg0J-3gseA:
undetectable
4wg0K-3gseA:
undetectable
4wg0L-3gseA:
undetectable		 4wg0J-3gseA:
4.18
4wg0K-3gseA:
4.18
4wg0L-3gseA:
4.18
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ARG A 282
LEU A 283
GLU A 324
ALA A 320
LEU A 323
 None
 1.18A 4wg0J-3gxoA:
undetectable
4wg0K-3gxoA:
undetectable
4wg0L-3gxoA:
undetectable		 4wg0J-3gxoA:
4.24
4wg0K-3gxoA:
4.24
4wg0L-3gxoA:
4.24
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.
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
 1.16A 4wg0J-3isaA:
undetectable
4wg0K-3isaA:
undetectable
4wg0L-3isaA:
undetectable		 4wg0J-3isaA:
6.47
4wg0K-3isaA:
6.47
4wg0L-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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 LEU A 535
LEU A 507
GLU A 560
ALA A 563
LEU A 562
 None
 1.04A 4wg0J-3k5zA:
undetectable
4wg0K-3k5zA:
undetectable
4wg0L-3k5zA:
undetectable		 4wg0J-3k5zA:
3.37
4wg0K-3k5zA:
3.37
4wg0L-3k5zA:
3.37
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ASN A3960
LEU A3997
LEU A4314
ALA A3981
LEU A3982
 None
 1.14A 4wg0J-3kciA:
undetectable
4wg0K-3kciA:
undetectable
4wg0L-3kciA:
undetectable		 4wg0J-3kciA:
3.86
4wg0K-3kciA:
3.86
4wg0L-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.
3rrv ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 LEU A 114
LEU A 118
LEU A  38
GLU A   7
LEU A  21
 None
None
None
CA  A 256 (-2.8A)
None
 1.17A 4wg0J-3rrvA:
undetectable
4wg0K-3rrvA:
undetectable
4wg0L-3rrvA:
undetectable		 4wg0J-3rrvA:
4.36
4wg0K-3rrvA:
4.36
4wg0L-3rrvA:
4.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.11A 4wg0J-3s6fA:
undetectable
4wg0K-3s6fA:
undetectable
4wg0L-3s6fA:
undetectable		 4wg0J-3s6fA:
8.62
4wg0K-3s6fA:
8.62
4wg0L-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.
3s6k ACETYLGLUTAMATE
KINASE

(Xanthomonas
campestris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 LEU A  57
LEU A  60
LYS A 122
LEU A 123
ALA A 132
 None
 1.14A 4wg0J-3s6kA:
undetectable
4wg0K-3s6kA:
undetectable
4wg0L-3s6kA:
undetectable		 4wg0J-3s6kA:
3.33
4wg0K-3s6kA:
3.33
4wg0L-3s6kA:
3.33
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.
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
 1.01A 4wg0J-3thzA:
undetectable
4wg0K-3thzA:
undetectable
4wg0L-3thzA:
undetectable		 4wg0J-3thzA:
1.82
4wg0K-3thzA:
1.82
4wg0L-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
 0.95A 4wg0J-3tmaA:
undetectable
4wg0K-3tmaA:
undetectable
4wg0L-3tmaA:
undetectable		 4wg0J-3tmaA:
4.20
4wg0K-3tmaA:
4.20
4wg0L-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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 LEU A 882
LEU A 849
LEU A 651
GLU A 611
LEU A 610
 None
 1.03A 4wg0J-3ux8A:
undetectable
4wg0K-3ux8A:
undetectable
4wg0L-3ux8A:
undetectable		 4wg0J-3ux8A:
3.23
4wg0K-3ux8A:
3.23
4wg0L-3ux8A:
3.23
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 566
LEU A 687
LEU A 626
GLU A 632
LEU A 630
 None
 1.05A 4wg0J-3viuA:
undetectable
4wg0K-3viuA:
undetectable
4wg0L-3viuA:
undetectable		 4wg0J-3viuA:
1.79
4wg0K-3viuA:
1.79
4wg0L-3viuA:
1.79
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.
3x1l CMR6

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 LEU H  32
LEU H  36
LEU H  71
GLU H 259
LEU H 289
 None
 0.78A 4wg0J-3x1lH:
undetectable
4wg0K-3x1lH:
undetectable
4wg0L-3x1lH:
undetectable		 4wg0J-3x1lH:
3.92
4wg0K-3x1lH:
3.92
4wg0L-3x1lH:
3.92
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 196
LYS A 159
LEU A 158
GLU A 117
LEU A 154
 None
 0.98A 4wg0J-4axnA:
undetectable
4wg0K-4axnA:
undetectable
4wg0L-4axnA:
undetectable		 4wg0J-4axnA:
3.92
4wg0K-4axnA:
3.92
4wg0L-4axnA:
3.92
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.
4bwe GLYPICAN-1

(Homo sapiens) 		PF01153
(Glypican) 		5 LEU A 321
LEU A 144
GLU A 165
ALA A 164
LEU A 163
 None
 1.09A 4wg0J-4bweA:
undetectable
4wg0K-4bweA:
undetectable
4wg0L-4bweA:
undetectable		 4wg0J-4bweA:
2.10
4wg0K-4bweA:
2.10
4wg0L-4bweA:
2.10
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.
4cdp PUTATIVE
HEME/HEMOGLOBIN
TRANSPORT PROTEIN

(Escherichia
coli) 		PF05171
(HemS) 		5 LEU A 301
LEU A 314
LEU A 226
GLU A 231
LEU A 230
 None
 1.17A 4wg0J-4cdpA:
undetectable
4wg0K-4cdpA:
undetectable
4wg0L-4cdpA:
undetectable		 4wg0J-4cdpA:
5.24
4wg0K-4cdpA:
5.24
4wg0L-4cdpA:
5.24
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 LEU A 277
LEU A 269
GLU A 310
ALA A 311
LEU A 312
 None
 1.17A 4wg0J-4cnkA:
undetectable
4wg0K-4cnkA:
undetectable
4wg0L-4cnkA:
undetectable		 4wg0J-4cnkA:
3.28
4wg0K-4cnkA:
3.28
4wg0L-4cnkA:
3.28
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.
4etz PELD

(Pseudomonas
aeruginosa) 		PF13492
(GAF_3)
PF16963
(PelD_GGDEF) 		5 LEU A 332
LEU A 328
LEU A 438
GLU A 428
LEU A 344
 None
 1.17A 4wg0J-4etzA:
undetectable
4wg0K-4etzA:
undetectable
4wg0L-4etzA:
undetectable		 4wg0J-4etzA:
5.52
4wg0K-4etzA:
5.52
4wg0L-4etzA:
5.52
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.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		5 LEU A  26
LEU A 331
GLU A 346
LEU A 347
LEU A 303
 None
 1.07A 4wg0J-4exqA:
undetectable
4wg0K-4exqA:
undetectable
4wg0L-4exqA:
undetectable		 4wg0J-4exqA:
9.65
4wg0K-4exqA:
9.65
4wg0L-4exqA:
9.65
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
 1.15A 4wg0J-4gr4A:
undetectable
4wg0K-4gr4A:
undetectable
4wg0L-4gr4A:
undetectable		 4wg0J-4gr4A:
2.24
4wg0K-4gr4A:
2.24
4wg0L-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
 1.11A 4wg0J-4gr5A:
undetectable
4wg0K-4gr5A:
undetectable
4wg0L-4gr5A:
undetectable		 4wg0J-4gr5A:
2.24
4wg0K-4gr5A:
2.24
4wg0L-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)
 1.17A 4wg0J-4gxrA:
undetectable
4wg0K-4gxrA:
undetectable
4wg0L-4gxrA:
undetectable		 4wg0J-4gxrA:
2.49
4wg0K-4gxrA:
2.49
4wg0L-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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 LEU N 365
LEU N 361
GLU N 351
LEU N 271
TYR N 268
 None
 1.07A 4wg0J-4heaN:
undetectable
4wg0K-4heaN:
undetectable
4wg0L-4heaN:
undetectable		 4wg0J-4heaN:
3.75
4wg0K-4heaN:
3.75
4wg0L-4heaN:
3.75
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.
4hq6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 554
ARG A 553
GLU A 567
LEU A 581
GLU A 502
 None
 1.13A 4wg0J-4hq6A:
undetectable
4wg0K-4hq6A:
undetectable
4wg0L-4hq6A:
undetectable		 4wg0J-4hq6A:
2.32
4wg0K-4hq6A:
2.32
4wg0L-4hq6A:
2.32
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 LEU A 814
LEU A 667
LEU A 819
GLU A 824
LEU A 823
 None
 0.86A 4wg0J-4k0eA:
undetectable
4wg0K-4k0eA:
undetectable
4wg0L-4k0eA:
undetectable		 4wg0J-4k0eA:
2.06
4wg0K-4k0eA:
2.06
4wg0L-4k0eA:
2.06
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A  78
LEU A  24
LEU A  99
GLU A 101
LEU A 103
 None
 1.07A 4wg0J-4kcaA:
undetectable
4wg0K-4kcaA:
undetectable
4wg0L-4kcaA:
undetectable		 4wg0J-4kcaA:
2.10
4wg0K-4kcaA:
2.10
4wg0L-4kcaA:
2.10
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 LEU A  80
LEU A 101
LEU A 238
ALA A 230
LEU A 234
 None
 1.14A 4wg0J-4l4xA:
undetectable
4wg0K-4l4xA:
undetectable
4wg0L-4l4xA:
undetectable		 4wg0J-4l4xA:
2.14
4wg0K-4l4xA:
2.14
4wg0L-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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 LEU A 277
ARG A 278
LEU A  47
ALA A 207
LEU A 208
 None
 0.94A 4wg0J-4llsA:
undetectable
4wg0K-4llsA:
undetectable
4wg0L-4llsA:
undetectable		 4wg0J-4llsA:
4.65
4wg0K-4llsA:
4.65
4wg0L-4llsA:
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.
4m7c TELOMERIC
REPEAT-BINDING
FACTOR 2

(Homo sapiens) 		PF08558
(TRF) 		5 LEU A  91
ARG A  54
LEU A  57
LEU A  87
LEU A 101
 None
 1.05A 4wg0J-4m7cA:
undetectable
4wg0K-4m7cA:
undetectable
4wg0L-4m7cA:
undetectable		 4wg0J-4m7cA:
5.00
4wg0K-4m7cA:
5.00
4wg0L-4m7cA:
5.00
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.
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 4wg0J-4oahA:
undetectable
4wg0K-4oahA:
undetectable
4wg0L-4oahA:
undetectable		 4wg0J-4oahA:
6.74
4wg0K-4oahA:
6.74
4wg0L-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.
4p8s RETICULON-4
RECEPTOR-LIKE 2

(Rattus
norvegicus) 		PF13855
(LRR_8) 		5 LEU A 232
LEU A 256
GLU A 245
ALA A 248
LEU A 247
 None
 0.95A 4wg0J-4p8sA:
undetectable
4wg0K-4p8sA:
undetectable
4wg0L-4p8sA:
undetectable		 4wg0J-4p8sA:
3.23
4wg0K-4p8sA:
3.23
4wg0L-4p8sA:
3.23
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.
4q5h PROTEIN KINASE OSPG

(Shigella sonnei) 		no annotation 5 LEU A 139
GLU A 131
LEU A 129
LEU A 125
TYR A 122
 None
 0.84A 4wg0J-4q5hA:
undetectable
4wg0K-4q5hA:
undetectable
4wg0L-4q5hA:
undetectable		 4wg0J-4q5hA:
7.88
4wg0K-4q5hA:
7.88
4wg0L-4q5hA:
7.88
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.
4qs9 HEXOKINASE-1

(Arabidopsis
thaliana) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU A 172
LEU A 215
GLU A 149
ALA A 150
LEU A 151
 None
 1.05A 4wg0J-4qs9A:
undetectable
4wg0K-4qs9A:
undetectable
4wg0L-4qs9A:
undetectable		 4wg0J-4qs9A:
2.53
4wg0K-4qs9A:
2.53
4wg0L-4qs9A:
2.53
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.
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
 0.96A 4wg0J-4rlvA:
undetectable
4wg0K-4rlvA:
undetectable
4wg0L-4rlvA:
undetectable		 4wg0J-4rlvA:
1.21
4wg0K-4rlvA:
1.21
4wg0L-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 A2251
LEU A2252
LEU A2212
ALA A2195
LEU A2196
 SO4  A2406 (-4.2A)
None
None
None
None
 1.02A 4wg0J-4rlyA:
undetectable
4wg0K-4rlyA:
undetectable
4wg0L-4rlyA:
undetectable		 4wg0J-4rlyA:
6.31
4wg0K-4rlyA:
6.31
4wg0L-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
 1.17A 4wg0J-4u63A:
undetectable
4wg0K-4u63A:
undetectable
4wg0L-4u63A:
undetectable		 4wg0J-4u63A:
4.66
4wg0K-4u63A:
4.66
4wg0L-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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		5 LEU A  34
GLU A  73
ALA A  76
LEU A  75
TYR A  80
 None
 1.07A 4wg0J-4v1uA:
undetectable
4wg0K-4v1uA:
undetectable
4wg0L-4v1uA:
undetectable		 4wg0J-4v1uA:
1.99
4wg0K-4v1uA:
1.99
4wg0L-4v1uA:
1.99
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
 1.12A 4wg0J-4xb6B:
undetectable
4wg0K-4xb6B:
undetectable
4wg0L-4xb6B:
undetectable		 4wg0J-4xb6B:
5.75
4wg0K-4xb6B:
5.75
4wg0L-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.
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 4wg0J-5b5rA:
undetectable
4wg0K-5b5rA:
undetectable
4wg0L-5b5rA:
undetectable		 4wg0J-5b5rA:
3.51
4wg0K-5b5rA:
3.51
4wg0L-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.
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
 1.05A 4wg0J-5dtpA:
undetectable
4wg0K-5dtpA:
undetectable
4wg0L-5dtpA:
undetectable		 4wg0J-5dtpA:
4.90
4wg0K-5dtpA:
4.90
4wg0L-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.
5e1r 7S VICILIN

(Carya
illinoinensis) 		PF00190
(Cupin_1) 		5 LEU A 710
LEU A 712
LEU A 686
GLU A 649
ALA A 701
 None
MPD  A 802 ( 4.5A)
None
None
None
 0.85A 4wg0J-5e1rA:
undetectable
4wg0K-5e1rA:
undetectable
4wg0L-5e1rA:
undetectable		 4wg0J-5e1rA:
2.12
4wg0K-5e1rA:
2.12
4wg0L-5e1rA:
2.12
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.
5e3e CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		no annotation 5 LEU A  13
GLU A  31
ALA A  34
LEU A  33
TYR A  36
 None
 1.08A 4wg0J-5e3eA:
undetectable
4wg0K-5e3eA:
undetectable
4wg0L-5e3eA:
undetectable		 4wg0J-5e3eA:
14.67
4wg0K-5e3eA:
14.67
4wg0L-5e3eA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		5 LEU B 621
LEU B 613
LEU B 463
ALA B 635
LEU B 638
 None
 1.12A 4wg0J-5ej1B:
undetectable
4wg0K-5ej1B:
undetectable
4wg0L-5ej1B:
undetectable		 4wg0J-5ej1B:
3.52
4wg0K-5ej1B:
3.52
4wg0L-5ej1B:
3.52
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 LEU A 724
LEU A 720
LEU A 676
ALA A 614
LEU A 615
 None
 1.12A 4wg0J-5haxA:
undetectable
4wg0K-5haxA:
undetectable
4wg0L-5haxA:
undetectable		 4wg0J-5haxA:
1.82
4wg0K-5haxA:
1.82
4wg0L-5haxA:
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.
5ikn THIOREDOXIN-1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		5 LEU K 103
LEU K  24
LEU K  99
GLU K  44
LEU K  42
 None
 1.17A 4wg0J-5iknK:
undetectable
4wg0K-5iknK:
undetectable
4wg0L-5iknK:
undetectable		 4wg0J-5iknK:
7.62
4wg0K-5iknK:
7.62
4wg0L-5iknK:
7.62
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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 169
ARG A 170
LEU A 173
LEU A 192
TYR A 214
 None
 0.97A 4wg0J-5loxA:
undetectable
4wg0K-5loxA:
undetectable
4wg0L-5loxA:
undetectable		 4wg0J-5loxA:
3.93
4wg0K-5loxA:
3.93
4wg0L-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.
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 4wg0J-5ojsT:
undetectable
4wg0K-5ojsT:
undetectable
4wg0L-5ojsT:
undetectable		 4wg0J-5ojsT:
0.35
4wg0K-5ojsT:
0.35
4wg0L-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
 0.97A 4wg0J-5op0B:
undetectable
4wg0K-5op0B:
undetectable
4wg0L-5op0B:
undetectable		 4wg0J-5op0B:
6.91
4wg0K-5op0B:
6.91
4wg0L-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 4wg0J-5ovtA:
undetectable
4wg0K-5ovtA:
undetectable
4wg0L-5ovtA:
undetectable		 4wg0J-5ovtA:
undetectable
4wg0K-5ovtA:
undetectable
4wg0L-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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 LEU B  77
LEU B 152
GLU B 155
ALA B 163
LEU B 164
 None
 1.11A 4wg0J-5swiB:
undetectable
4wg0K-5swiB:
undetectable
4wg0L-5swiB:
undetectable		 4wg0J-5swiB:
1.85
4wg0K-5swiB:
1.85
4wg0L-5swiB:
1.85
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.
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
 1.17A 4wg0J-5tubA:
undetectable
4wg0K-5tubA:
undetectable
4wg0L-5tubA:
undetectable		 4wg0J-5tubA:
3.17
4wg0K-5tubA:
3.17
4wg0L-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.
5wfb AP-4 COMPLEX
ACCESSORY SUBUNIT
TEPSIN

(Homo sapiens) 		PF01417
(ENTH) 		5 LEU A  76
LEU A  79
LEU A  57
GLU A  55
LEU A  53
 None
 0.94A 4wg0J-5wfbA:
undetectable
4wg0K-5wfbA:
undetectable
4wg0L-5wfbA:
undetectable		 4wg0J-5wfbA:
7.14
4wg0K-5wfbA:
7.14
4wg0L-5wfbA:
7.14
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 LEU A1363
LEU A1364
GLU A1114
LEU A1115
LEU A1289
 None
 0.99A 4wg0J-5wlhA:
undetectable
4wg0K-5wlhA:
undetectable
4wg0L-5wlhA:
undetectable		 4wg0J-5wlhA:
1.09
4wg0K-5wlhA:
1.09
4wg0L-5wlhA:
1.09
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.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 221
LEU A 217
LEU A 246
GLU A 197
LEU A 199
 None
 1.08A 4wg0J-5xgcA:
undetectable
4wg0K-5xgcA:
undetectable
4wg0L-5xgcA:
undetectable		 4wg0J-5xgcA:
2.91
4wg0K-5xgcA:
2.91
4wg0L-5xgcA:
2.91
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.
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
 1.03A 4wg0J-5xohA:
undetectable
4wg0K-5xohA:
undetectable
4wg0L-5xohA:
undetectable		 4wg0J-5xohA:
undetectable
4wg0K-5xohA:
undetectable
4wg0L-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.
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
 1.09A 4wg0J-5xxua:
undetectable
4wg0K-5xxua:
undetectable
4wg0L-5xxua:
undetectable		 4wg0J-5xxua:
11.76
4wg0K-5xxua:
11.76
4wg0L-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
 0.93A 4wg0J-5y4dA:
undetectable
4wg0K-5y4dA:
undetectable
4wg0L-5y4dA:
undetectable		 4wg0J-5y4dA:
1.38
4wg0K-5y4dA:
1.38
4wg0L-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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 LEU A 164
ARG A 248
LEU A 321
GLU A 156
LEU A 317
 None
ACP  A 500 (-3.1A)
None
None
None
 1.15A 4wg0J-6ci7A:
undetectable
4wg0K-6ci7A:
undetectable
4wg0L-6ci7A:
undetectable		 4wg0J-6ci7A:
undetectable
4wg0K-6ci7A:
undetectable
4wg0L-6ci7A:
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.
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
 1.17A 4wg0J-6eotA:
undetectable
4wg0K-6eotA:
undetectable
4wg0L-6eotA:
undetectable		 4wg0J-6eotA:
undetectable
4wg0K-6eotA:
undetectable
4wg0L-6eotA:
undetectable