SIMILAR PATTERNS OF AMINO ACIDS FOR 4WG0_K_CHDK103_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  33
LYS A  42
LEU A  41
LEU A  52
LEU A  56
 None
 1.03A 4wg0I-1cttA:
undetectable
4wg0J-1cttA:
undetectable
4wg0K-1cttA:
undetectable		 4wg0I-1cttA:
6.47
4wg0J-1cttA:
6.47
4wg0K-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 ALA A 111
LEU A 110
LEU A 137
LEU A  71
LEU A 103
 None
 0.98A 4wg0I-1f51A:
undetectable
4wg0J-1f51A:
undetectable
4wg0K-1f51A:
undetectable		 4wg0I-1f51A:
5.45
4wg0J-1f51A:
5.45
4wg0K-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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 LEU A 439
TYR A 476
LEU A 517
LEU A 404
LEU A 412
 None
 1.07A 4wg0I-1jy1A:
undetectable
4wg0J-1jy1A:
undetectable
4wg0K-1jy1A:
undetectable		 4wg0I-1jy1A:
2.94
4wg0J-1jy1A:
2.94
4wg0K-1jy1A:
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.
1luj CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 401
LEU A 370
LEU A 382
ARG A 386
LEU A 385
 None
 1.15A 4wg0I-1lujA:
undetectable
4wg0J-1lujA:
undetectable
4wg0K-1lujA:
undetectable		 4wg0I-1lujA:
2.51
4wg0J-1lujA:
2.51
4wg0K-1lujA:
2.51
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 LEU A 235
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.74A 4wg0I-1m9sA:
undetectable
4wg0J-1m9sA:
undetectable
4wg0K-1m9sA:
undetectable		 4wg0I-1m9sA:
2.49
4wg0J-1m9sA:
2.49
4wg0K-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 ALA X  95
LEU X  92
LEU X  80
LEU X  78
ARG X 101
 None
 1.12A 4wg0I-1ofuX:
undetectable
4wg0J-1ofuX:
undetectable
4wg0K-1ofuX:
undetectable		 4wg0I-1ofuX:
13.24
4wg0J-1ofuX:
13.24
4wg0K-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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 LEU A  56
GLU A  24
LEU A  26
LEU A  43
LEU A  67
 None
 1.07A 4wg0I-1sifA:
undetectable
4wg0J-1sifA:
undetectable
4wg0K-1sifA:
undetectable		 4wg0I-1sifA:
12.24
4wg0J-1sifA:
12.24
4wg0K-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.
1sif UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 LEU A  56
LYS A  27
LEU A  26
LEU A  43
LEU A  67
 None
 1.10A 4wg0I-1sifA:
undetectable
4wg0J-1sifA:
undetectable
4wg0K-1sifA:
undetectable		 4wg0I-1sifA:
12.24
4wg0J-1sifA:
12.24
4wg0K-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.
1t6t PUTATIVE PROTEIN

(Aquifex
aeolicus) 		PF01751
(Toprim) 		5 GLU 1 110
ALA 1  34
LEU 1  35
LEU 1  68
LEU 1  15
 None
 1.13A 4wg0I-1t6t1:
undetectable
4wg0J-1t6t1:
undetectable
4wg0K-1t6t1:
undetectable		 4wg0I-1t6t1:
10.17
4wg0J-1t6t1:
10.17
4wg0K-1t6t1:
10.17
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 ALA A 163
LEU A 164
LEU A 256
LEU A 314
LEU A 315
 None
 1.20A 4wg0I-1tt4A:
undetectable
4wg0J-1tt4A:
undetectable
4wg0K-1tt4A:
undetectable		 4wg0I-1tt4A:
3.40
4wg0J-1tt4A:
3.40
4wg0K-1tt4A:
3.40
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 171
TYR A 168
LEU A 226
LEU A 233
LEU A 160
 None
 0.95A 4wg0I-1tx4A:
undetectable
4wg0J-1tx4A:
undetectable
4wg0K-1tx4A:
undetectable		 4wg0I-1tx4A:
6.94
4wg0J-1tx4A:
6.94
4wg0K-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 ALA D  24
LEU D  25
LEU D  51
LEU D  60
LEU D  36
 None
 1.10A 4wg0I-1u0nD:
undetectable
4wg0J-1u0nD:
undetectable
4wg0K-1u0nD:
undetectable		 4wg0I-1u0nD:
5.38
4wg0J-1u0nD:
5.38
4wg0K-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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		5 GLU A  97
LEU A  39
LEU A  31
LEU A  65
ARG A 132
 None
 0.98A 4wg0I-1v4gA:
undetectable
4wg0J-1v4gA:
undetectable
4wg0K-1v4gA:
undetectable		 4wg0I-1v4gA:
3.18
4wg0J-1v4gA:
3.18
4wg0K-1v4gA:
3.18
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.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		5 LYS A  99
LEU A 102
LEU A 133
ARG A 135
LEU A 134
 None
 1.19A 4wg0I-1v84A:
undetectable
4wg0J-1v84A:
undetectable
4wg0K-1v84A:
undetectable		 4wg0I-1v84A:
5.22
4wg0J-1v84A:
5.22
4wg0K-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.
1vyt CALCIUM CHANNEL
BETA-3 SUBUNIT

(Rattus
norvegicus) 		PF00625
(Guanylate_kin)
PF12052
(VGCC_beta4Aa_N) 		5 GLU A 347
ALA A 350
LEU A 349
TYR A 352
LEU A 337
 None
 1.19A 4wg0I-1vytA:
undetectable
4wg0J-1vytA:
undetectable
4wg0K-1vytA:
undetectable		 4wg0I-1vytA:
3.49
4wg0J-1vytA:
3.49
4wg0K-1vytA:
3.49
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.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		5 ALA C 472
LEU C 473
LEU C 571
LEU C 460
LEU C 457
 None
 1.10A 4wg0I-1w36C:
undetectable
4wg0J-1w36C:
undetectable
4wg0K-1w36C:
undetectable		 4wg0I-1w36C:
1.29
4wg0J-1w36C:
1.29
4wg0K-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  43
TYR A  37
LEU A 107
ARG A 108
LEU A 111
 None
 0.90A 4wg0I-1wy9A:
undetectable
4wg0J-1wy9A:
undetectable
4wg0K-1wy9A:
undetectable		 4wg0I-1wy9A:
6.09
4wg0J-1wy9A:
6.09
4wg0K-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.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLU A 199
LYS A 200
LEU A 203
ASN A   7
LEU A  10
 None
 0.82A 4wg0I-2c1uA:
undetectable
4wg0J-2c1uA:
undetectable
4wg0K-2c1uA:
undetectable		 4wg0I-2c1uA:
3.59
4wg0J-2c1uA:
3.59
4wg0K-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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 ALA A 311
LEU A 310
TYR A 309
LEU A 250
LEU A 268
 None
 1.20A 4wg0I-2chqA:
undetectable
4wg0J-2chqA:
undetectable
4wg0K-2chqA:
undetectable		 4wg0I-2chqA:
4.64
4wg0J-2chqA:
4.64
4wg0K-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.
2cw5 BACTERIAL
FLUORINATING ENZYME
HOMOLOG

(Thermus
thermophilus) 		PF01887
(SAM_adeno_trans) 		5 ALA A  99
LEU A  98
LEU A 170
LEU A 230
LEU A 179
 None
 1.16A 4wg0I-2cw5A:
undetectable
4wg0J-2cw5A:
undetectable
4wg0K-2cw5A:
undetectable		 4wg0I-2cw5A:
8.76
4wg0J-2cw5A:
8.76
4wg0K-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.
2fyl ALPHA-2-MACROGLOBULI
N
RECEPTOR-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF06400
(Alpha-2-MRAP_N) 		5 LEU A  90
TYR A  88
LEU A  28
LEU A  49
LEU A  45
 None
 1.13A 4wg0I-2fylA:
undetectable
4wg0J-2fylA:
undetectable
4wg0K-2fylA:
undetectable		 4wg0I-2fylA:
12.50
4wg0J-2fylA:
12.50
4wg0K-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 ALA A  23
LEU A  26
LEU A   8
LEU A 172
LEU A 169
 None
 1.22A 4wg0I-2gd2A:
undetectable
4wg0J-2gd2A:
undetectable
4wg0K-2gd2A:
undetectable		 4wg0I-2gd2A:
3.06
4wg0J-2gd2A:
3.06
4wg0K-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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ALA A 246
LEU A 249
LEU A 259
LEU A 271
LEU A 275
 None
 1.00A 4wg0I-2gd2A:
undetectable
4wg0J-2gd2A:
undetectable
4wg0K-2gd2A:
undetectable		 4wg0I-2gd2A:
3.06
4wg0J-2gd2A:
3.06
4wg0K-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 ALA A 314
LEU A 313
LEU A 247
LEU A 100
LEU A  99
 None
 1.17A 4wg0I-2h8oA:
undetectable
4wg0J-2h8oA:
undetectable
4wg0K-2h8oA:
undetectable		 4wg0I-2h8oA:
3.90
4wg0J-2h8oA:
3.90
4wg0K-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) 		6 LEU A   8
TYR A  33
LEU A 178
LEU A 199
ARG A 200
LEU A 203
 None
 1.24A 4wg0I-2in3A:
undetectable
4wg0J-2in3A:
undetectable
4wg0K-2in3A:
undetectable		 4wg0I-2in3A:
4.78
4wg0J-2in3A:
4.78
4wg0K-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  12
GLU A  34
LEU A  19
LEU A  37
LEU A  71
 None
 1.02A 4wg0I-2jzkA:
undetectable
4wg0J-2jzkA:
undetectable
4wg0K-2jzkA:
undetectable		 4wg0I-2jzkA:
19.05
4wg0J-2jzkA:
19.05
4wg0K-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.
2k8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 GLU A 135
ALA A  12
LEU A  11
LEU A  49
LEU A  41
 None
 1.19A 4wg0I-2k8iA:
undetectable
4wg0J-2k8iA:
undetectable
4wg0K-2k8iA:
undetectable		 4wg0I-2k8iA:
15.00
4wg0J-2k8iA:
15.00
4wg0K-2k8iA:
15.00
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.
2k8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 GLU A 135
LEU A  11
LEU A  49
LEU A  45
LEU A  41
 None
 1.17A 4wg0I-2k8iA:
undetectable
4wg0J-2k8iA:
undetectable
4wg0K-2k8iA:
undetectable		 4wg0I-2k8iA:
15.00
4wg0J-2k8iA:
15.00
4wg0K-2k8iA:
15.00
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.
2ka0 UNCHARACTERIZED
PROTEIN TM1367

(Thermotoga
maritima) 		PF04126
(Cyclophil_like) 		5 ALA A  74
LEU A  75
GLU A  42
LEU A  77
LEU A   5
 None
 1.01A 4wg0I-2ka0A:
undetectable
4wg0J-2ka0A:
undetectable
4wg0K-2ka0A:
undetectable		 4wg0I-2ka0A:
8.77
4wg0J-2ka0A:
8.77
4wg0K-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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 ALA A 625
LEU A 626
TYR A 623
LEU A 637
LEU A 130
 None
 1.18A 4wg0I-2pggA:
undetectable
4wg0J-2pggA:
undetectable
4wg0K-2pggA:
undetectable		 4wg0I-2pggA:
2.57
4wg0J-2pggA:
2.57
4wg0K-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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 GLU A 597
LYS A 598
LEU A 601
LEU A 585
LEU A 581
 None
 0.90A 4wg0I-2qxlA:
undetectable
4wg0J-2qxlA:
undetectable
4wg0K-2qxlA:
undetectable		 4wg0I-2qxlA:
2.26
4wg0J-2qxlA:
2.26
4wg0K-2qxlA:
2.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 LEU A 424
GLU A 418
LEU A 420
LEU A 366
LEU A 390
 None
 1.13A 4wg0I-2vf8A:
undetectable
4wg0J-2vf8A:
undetectable
4wg0K-2vf8A:
undetectable		 4wg0I-2vf8A:
2.38
4wg0J-2vf8A:
2.38
4wg0K-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 TYR A  98
GLU A  27
LEU A 143
LEU A  30
LEU A  59
 None
 1.16A 4wg0I-2wcuA:
undetectable
4wg0J-2wcuA:
undetectable
4wg0K-2wcuA:
undetectable		 4wg0I-2wcuA:
8.41
4wg0J-2wcuA:
8.41
4wg0K-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 ALA A  97
LEU A 126
LEU A 173
LEU A 166
LEU A 162
 None
 1.16A 4wg0I-2wpgA:
undetectable
4wg0J-2wpgA:
undetectable
4wg0K-2wpgA:
undetectable		 4wg0I-2wpgA:
1.96
4wg0J-2wpgA:
1.96
4wg0K-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 LEU A 235
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.81A 4wg0I-2wqwA:
undetectable
4wg0J-2wqwA:
undetectable
4wg0K-2wqwA:
undetectable		 4wg0I-2wqwA:
9.00
4wg0J-2wqwA:
9.00
4wg0K-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 LEU A 235
LEU A 237
ASN A 261
LEU A 223
LEU A 226
 None
 0.86A 4wg0I-2y5qA:
undetectable
4wg0J-2y5qA:
undetectable
4wg0K-2y5qA:
undetectable		 4wg0I-2y5qA:
8.57
4wg0J-2y5qA:
8.57
4wg0K-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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 401
LEU A 370
LEU A 382
ARG A 386
LEU A 385
 None
 1.13A 4wg0I-2z6hA:
undetectable
4wg0J-2z6hA:
undetectable
4wg0K-2z6hA:
undetectable		 4wg0I-2z6hA:
2.52
4wg0J-2z6hA:
2.52
4wg0K-2z6hA:
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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ALA A 153
LEU A 154
LEU A 188
LEU A 168
LEU A 166
 None
 1.07A 4wg0I-2zyjA:
undetectable
4wg0J-2zyjA:
undetectable
4wg0K-2zyjA:
undetectable		 4wg0I-2zyjA:
3.19
4wg0J-2zyjA:
3.19
4wg0K-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.
3c6v PROBABLE
TAUTOMERASE/DEHALOGE
NASE AU4130

(Aspergillus
fumigatus) 		PF14832
(Tautomerase_3) 		5 GLU A 102
ALA A  63
LEU A  64
LEU A  90
LEU A  21
 None
 1.18A 4wg0I-3c6vA:
undetectable
4wg0J-3c6vA:
undetectable
4wg0K-3c6vA:
undetectable		 4wg0I-3c6vA:
9.17
4wg0J-3c6vA:
9.17
4wg0K-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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		5 LEU A 452
ASN A 434
LEU A 433
ARG A 460
LEU A 461
 None
 1.17A 4wg0I-3d3aA:
undetectable
4wg0J-3d3aA:
undetectable
4wg0K-3d3aA:
undetectable		 4wg0I-3d3aA:
2.49
4wg0J-3d3aA:
2.49
4wg0K-3d3aA:
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.
3fdw SYNAPTOTAGMIN-LIKE
PROTEIN 4

(Homo sapiens) 		PF00168
(C2) 		5 GLU A 367
LEU A 373
TYR A 430
LEU A 364
LEU A 442
 None
 0.95A 4wg0I-3fdwA:
undetectable
4wg0J-3fdwA:
undetectable
4wg0K-3fdwA:
undetectable		 4wg0I-3fdwA:
9.38
4wg0J-3fdwA:
9.38
4wg0K-3fdwA:
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.
3gf9 INTERSECTIN 2

(Homo sapiens) 		PF00621
(RhoGEF) 		5 LEU A1189
LEU A1263
ASN A1236
LEU A1239
LEU A1243
 None
 0.88A 4wg0I-3gf9A:
undetectable
4wg0J-3gf9A:
undetectable
4wg0K-3gf9A:
undetectable		 4wg0I-3gf9A:
3.73
4wg0J-3gf9A:
3.73
4wg0K-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 ALA A  32
LEU A 141
GLU A  10
LEU A  11
LEU A 130
 None
 1.01A 4wg0I-3gseA:
undetectable
4wg0J-3gseA:
undetectable
4wg0K-3gseA:
undetectable		 4wg0I-3gseA:
4.18
4wg0J-3gseA:
4.18
4wg0K-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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 LEU A 124
LEU A  31
ASN A  41
LEU A  44
LEU A  48
 None
 1.21A 4wg0I-3hinA:
undetectable
4wg0J-3hinA:
undetectable
4wg0K-3hinA:
undetectable		 4wg0I-3hinA:
4.42
4wg0J-3hinA:
4.42
4wg0K-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 ALA A 113
LEU A 117
LEU A  23
LEU A  36
LEU A  40
 CL  A 257 (-3.8A)
None
None
None
None
 1.14A 4wg0I-3isaA:
undetectable
4wg0J-3isaA:
undetectable
4wg0K-3isaA:
undetectable		 4wg0I-3isaA:
6.47
4wg0J-3isaA:
6.47
4wg0K-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.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 141
TYR A 134
LEU A  99
LEU A 206
LEU A 200
 None
 1.23A 4wg0I-3js4A:
undetectable
4wg0J-3js4A:
undetectable
4wg0K-3js4A:
undetectable		 4wg0I-3js4A:
5.09
4wg0J-3js4A:
5.09
4wg0K-3js4A:
5.09
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A3981
LEU A3982
LEU A4314
ASN A3960
LEU A3997
 None
 1.13A 4wg0I-3kciA:
undetectable
4wg0J-3kciA:
undetectable
4wg0K-3kciA:
undetectable		 4wg0I-3kciA:
3.86
4wg0J-3kciA:
3.86
4wg0K-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.
3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC

(Zea mays) 		PF03055
(RPE65) 		5 GLU A 477
ALA A 496
LEU A 495
LEU A 450
LEU A 468
 None
 1.14A 4wg0I-3npeA:
undetectable
4wg0J-3npeA:
undetectable
4wg0K-3npeA:
undetectable		 4wg0I-3npeA:
4.90
4wg0J-3npeA:
4.90
4wg0K-3npeA:
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.
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans) 		PF13673
(Acetyltransf_10) 		5 ALA A  52
LEU A  51
LEU A  43
LEU A  39
LEU A  23
 ALA  A  52 ( 0.0A)
LEU  A  51 ( 0.5A)
LEU  A  43 ( 0.6A)
LEU  A  39 ( 0.5A)
LEU  A  23 ( 0.6A)
 1.13A 4wg0I-3s6fA:
undetectable
4wg0J-3s6fA:
undetectable
4wg0K-3s6fA:
undetectable		 4wg0I-3s6fA:
8.62
4wg0J-3s6fA:
8.62
4wg0K-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 ALA A 132
LYS A 122
LEU A 123
LEU A  57
LEU A  60
 None
 1.13A 4wg0I-3s6kA:
undetectable
4wg0J-3s6kA:
undetectable
4wg0K-3s6kA:
undetectable		 4wg0I-3s6kA:
3.33
4wg0J-3s6kA:
3.33
4wg0K-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.
3s7i ALLERGEN ARA H 1,
CLONE P41B

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 GLU A 466
ALA A 519
LEU A 504
LEU A 526
LEU A 528
 None
 0.83A 4wg0I-3s7iA:
undetectable
4wg0J-3s7iA:
undetectable
4wg0K-3s7iA:
undetectable		 4wg0I-3s7iA:
3.41
4wg0J-3s7iA:
3.41
4wg0K-3s7iA:
3.41
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ALA A 295
LEU A 296
LEU A 304
LEU A 308
LEU A 281
 None
 0.97A 4wg0I-3tmaA:
undetectable
4wg0J-3tmaA:
undetectable
4wg0K-3tmaA:
undetectable		 4wg0I-3tmaA:
4.20
4wg0J-3tmaA:
4.20
4wg0K-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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 GLU A  29
LEU A  23
LEU A 197
ARG A 199
LEU A 200
 None
 1.10A 4wg0I-3uxmA:
undetectable
4wg0J-3uxmA:
undetectable
4wg0K-3uxmA:
undetectable		 4wg0I-3uxmA:
6.06
4wg0J-3uxmA:
6.06
4wg0K-3uxmA:
6.06
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLU A 632
LEU A 630
LEU A 626
LEU A 566
LEU A 687
 None
 1.06A 4wg0I-3viuA:
undetectable
4wg0J-3viuA:
undetectable
4wg0K-3viuA:
undetectable		 4wg0I-3viuA:
1.79
4wg0J-3viuA:
1.79
4wg0K-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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 193
LEU A 197
ASN A  55
LEU A  52
LEU A  48
 None
 1.18A 4wg0I-3wxyA:
undetectable
4wg0J-3wxyA:
undetectable
4wg0K-3wxyA:
undetectable		 4wg0I-3wxyA:
3.08
4wg0J-3wxyA:
3.08
4wg0K-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.
3x1l CMR6

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 GLU H 259
LEU H 289
LEU H  71
LEU H  32
LEU H  36
 None
 1.18A 4wg0I-3x1lH:
undetectable
4wg0J-3x1lH:
undetectable
4wg0K-3x1lH:
undetectable		 4wg0I-3x1lH:
3.92
4wg0J-3x1lH:
3.92
4wg0K-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 GLU A 117
LEU A 154
LYS A 159
LEU A 158
LEU A 196
 None
 0.90A 4wg0I-4axnA:
undetectable
4wg0J-4axnA:
undetectable
4wg0K-4axnA:
undetectable		 4wg0I-4axnA:
3.92
4wg0J-4axnA:
3.92
4wg0K-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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A  66
LEU A  67
LEU A  92
LEU A  10
LEU A  14
 None
 1.21A 4wg0I-4cvmA:
undetectable
4wg0J-4cvmA:
undetectable
4wg0K-4cvmA:
undetectable		 4wg0I-4cvmA:
2.81
4wg0J-4cvmA:
2.81
4wg0K-4cvmA:
2.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g2a HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF13308
(YARHG)
PF14415
(DUF4424) 		5 GLU A 292
LEU A 296
LYS A 284
LEU A 285
LEU A 341
 None
None
SO4  A 413 (-4.1A)
None
None
 1.14A 4wg0I-4g2aA:
undetectable
4wg0J-4g2aA:
undetectable
4wg0K-4g2aA:
undetectable		 4wg0I-4g2aA:
3.50
4wg0J-4g2aA:
3.50
4wg0K-4g2aA:
3.50
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 ALA A 102
LEU A 103
TYR A 100
LEU A 140
LEU A 273
 None
 1.15A 4wg0I-4gr4A:
undetectable
4wg0J-4gr4A:
undetectable
4wg0K-4gr4A:
undetectable		 4wg0I-4gr4A:
2.24
4wg0J-4gr4A:
2.24
4wg0K-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 ALA A 102
LEU A 103
TYR A 100
LEU A 140
LEU A 273
 None
 1.12A 4wg0I-4gr5A:
undetectable
4wg0J-4gr5A:
undetectable
4wg0K-4gr5A:
undetectable		 4wg0I-4gr5A:
2.24
4wg0J-4gr5A:
2.24
4wg0K-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  34
TYR A  31
LEU A  71
LEU A   9
LEU A 219
 None
MLY  A  18 ( 4.7A)
None
None
None
 1.19A 4wg0I-4gxrA:
undetectable
4wg0J-4gxrA:
undetectable
4wg0K-4gxrA:
undetectable		 4wg0I-4gxrA:
2.49
4wg0J-4gxrA:
2.49
4wg0K-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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 ALA B  45
LEU B  44
LEU B  56
ASN B 322
LEU B 318
 None
 1.16A 4wg0I-4hdsB:
undetectable
4wg0J-4hdsB:
undetectable
4wg0K-4hdsB:
undetectable		 4wg0I-4hdsB:
2.59
4wg0J-4hdsB:
2.59
4wg0K-4hdsB:
2.59
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 GLU A 824
LEU A 823
LEU A 819
LEU A 814
LEU A 667
 None
 0.97A 4wg0I-4k0eA:
undetectable
4wg0J-4k0eA:
undetectable
4wg0K-4k0eA:
undetectable		 4wg0I-4k0eA:
2.06
4wg0J-4k0eA:
2.06
4wg0K-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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 ALA A 230
LEU A 234
LEU A 238
LEU A  80
LEU A 101
 None
 1.19A 4wg0I-4l4xA:
undetectable
4wg0J-4l4xA:
undetectable
4wg0K-4l4xA:
undetectable		 4wg0I-4l4xA:
2.14
4wg0J-4l4xA:
2.14
4wg0K-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 ALA A  63
LEU A  64
LEU A   9
LEU A  48
LEU A  45
 None
 1.20A 4wg0I-4ndwA:
undetectable
4wg0J-4ndwA:
undetectable
4wg0K-4ndwA:
undetectable		 4wg0I-4ndwA:
5.88
4wg0J-4ndwA:
5.88
4wg0K-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.
4nfa PROTEIN CASC5

(Homo sapiens) 		no annotation 5 GLU A2215
LEU A2213
LEU A2297
LEU A2239
LEU A2258
 None
 1.13A 4wg0I-4nfaA:
undetectable
4wg0J-4nfaA:
undetectable
4wg0K-4nfaA:
undetectable		 4wg0I-4nfaA:
4.41
4wg0J-4nfaA:
4.41
4wg0K-4nfaA:
4.41
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.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 5 ALA A 147
LEU A 146
LEU A 109
ARG A 274
LEU A 275
 None
 1.16A 4wg0I-4nuzA:
undetectable
4wg0J-4nuzA:
undetectable
4wg0K-4nuzA:
undetectable		 4wg0I-4nuzA:
1.46
4wg0J-4nuzA:
1.46
4wg0K-4nuzA:
1.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		5 ALA A 411
LEU A 415
LEU A 450
LEU A 377
LEU A 380
 None
 1.00A 4wg0I-4oahA:
undetectable
4wg0J-4oahA:
undetectable
4wg0K-4oahA:
undetectable		 4wg0I-4oahA:
6.74
4wg0J-4oahA:
6.74
4wg0K-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.
4q5h PROTEIN KINASE OSPG

(Shigella sonnei) 		no annotation 5 LEU A 125
TYR A 122
GLU A 131
LEU A 129
LEU A 139
 None
 0.83A 4wg0I-4q5hA:
undetectable
4wg0J-4q5hA:
undetectable
4wg0K-4q5hA:
undetectable		 4wg0I-4q5hA:
7.88
4wg0J-4q5hA:
7.88
4wg0K-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.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 ALA A2195
LEU A2196
LEU A2212
LEU A2251
LEU A2252
 None
 0.95A 4wg0I-4rlvA:
undetectable
4wg0J-4rlvA:
undetectable
4wg0K-4rlvA:
undetectable		 4wg0I-4rlvA:
1.21
4wg0J-4rlvA:
1.21
4wg0K-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 ALA A2195
LEU A2196
LEU A2212
LEU A2251
LEU A2252
 None
None
None
SO4  A2406 (-4.2A)
None
 1.01A 4wg0I-4rlyA:
undetectable
4wg0J-4rlyA:
undetectable
4wg0K-4rlyA:
undetectable		 4wg0I-4rlyA:
6.31
4wg0J-4rlyA:
6.31
4wg0K-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 ALA A  23
LEU A  24
LEU A  18
LEU A  66
LEU A 172
 None
 1.14A 4wg0I-4u63A:
undetectable
4wg0J-4u63A:
undetectable
4wg0K-4u63A:
undetectable		 4wg0I-4u63A:
4.66
4wg0J-4u63A:
4.66
4wg0K-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.
4w66 GLUTATHIONE
S-TRANSFERASE DOMAIN
PROTEIN

(Haliangium
ochraceum) 		PF14497
(GST_C_3) 		5 GLU A 165
LEU A 170
LEU A 182
ARG A 183
LEU A 186
 None
None
GSH  A 301 ( 4.2A)
GSH  A 301 (-4.2A)
None
 1.23A 4wg0I-4w66A:
undetectable
4wg0J-4w66A:
undetectable
4wg0K-4w66A:
undetectable		 4wg0I-4w66A:
4.50
4wg0J-4w66A:
4.50
4wg0K-4w66A:
4.50
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.
4x3x ACTIVITY-REGULATED
CYTOSKELETON-ASSOCIA
TED PROTEIN

(Rattus
norvegicus) 		no annotation 5 LEU A 329
LEU A 337
LEU A 348
ARG A 306
LEU A 302
 None
 1.16A 4wg0I-4x3xA:
undetectable
4wg0J-4x3xA:
undetectable
4wg0K-4x3xA:
undetectable		 4wg0I-4x3xA:
9.30
4wg0J-4x3xA:
9.30
4wg0K-4x3xA:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 242
LEU A 243
LEU A 284
LEU A 260
LEU A 257
 None
 1.20A 4wg0I-4xkjA:
undetectable
4wg0J-4xkjA:
undetectable
4wg0K-4xkjA:
undetectable		 4wg0I-4xkjA:
3.49
4wg0J-4xkjA:
3.49
4wg0K-4xkjA:
3.49
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 ALA A 412
LEU A 413
LEU A 360
LEU A 352
LEU A 441
 None
 1.14A 4wg0I-5b5rA:
undetectable
4wg0J-5b5rA:
undetectable
4wg0K-5b5rA:
undetectable		 4wg0I-5b5rA:
3.51
4wg0J-5b5rA:
3.51
4wg0K-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 ALA A 132
LEU A 133
LEU A 120
LEU A 100
ARG A 102
 None
 1.19A 4wg0I-5cm9A:
undetectable
4wg0J-5cm9A:
undetectable
4wg0K-5cm9A:
undetectable		 4wg0I-5cm9A:
3.19
4wg0J-5cm9A:
3.19
4wg0K-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 ALA A 105
LEU A 104
LEU A  24
LEU A  75
LEU A  78
 None
 1.06A 4wg0I-5dtpA:
undetectable
4wg0J-5dtpA:
undetectable
4wg0K-5dtpA:
undetectable		 4wg0I-5dtpA:
4.90
4wg0J-5dtpA:
4.90
4wg0K-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 GLU A 649
ALA A 701
LEU A 686
LEU A 710
LEU A 712
 None
None
None
None
MPD  A 802 ( 4.5A)
 0.85A 4wg0I-5e1rA:
undetectable
4wg0J-5e1rA:
undetectable
4wg0K-5e1rA:
undetectable		 4wg0I-5e1rA:
2.12
4wg0J-5e1rA:
2.12
4wg0K-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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 ALA A 926
LEU A 927
LEU A 914
LEU A 912
LEU A 940
 None
 1.23A 4wg0I-5irmA:
undetectable
4wg0J-5irmA:
undetectable
4wg0K-5irmA:
undetectable		 4wg0I-5irmA:
1.82
4wg0J-5irmA:
1.82
4wg0K-5irmA:
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.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		5 ALA A  39
LEU A  43
LEU A 168
ARG A 108
LEU A 170
 None
None
None
TRS  A 501 ( 4.7A)
None
 1.24A 4wg0I-5jxmA:
undetectable
4wg0J-5jxmA:
undetectable
4wg0K-5jxmA:
undetectable		 4wg0I-5jxmA:
4.86
4wg0J-5jxmA:
4.86
4wg0K-5jxmA:
4.86
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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 5 TYR A 214
LEU A 192
LEU A 169
ARG A 170
LEU A 173
 None
 0.99A 4wg0I-5loxA:
undetectable
4wg0J-5loxA:
undetectable
4wg0K-5loxA:
undetectable		 4wg0I-5loxA:
3.93
4wg0J-5loxA:
3.93
4wg0K-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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLU A1081
ALA A1125
LEU A1126
LEU A1086
LEU A1111
 None
 1.06A 4wg0I-5m59A:
undetectable
4wg0J-5m59A:
undetectable
4wg0K-5m59A:
undetectable		 4wg0I-5m59A:
2.23
4wg0J-5m59A:
2.23
4wg0K-5m59A:
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 GLU A  81
LEU A  79
LEU A  75
LEU A 160
LEU A 139
 None
 1.22A 4wg0I-5n81A:
undetectable
4wg0J-5n81A:
undetectable
4wg0K-5n81A:
undetectable		 4wg0I-5n81A:
undetectable
4wg0J-5n81A:
undetectable
4wg0K-5n81A:
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		5 GLU F 179
LEU F 176
LEU F 184
LEU F 346
LEU F  94
 None
 1.22A 4wg0I-5odrF:
undetectable
4wg0J-5odrF:
undetectable
4wg0K-5odrF:
undetectable		 4wg0I-5odrF:
4.64
4wg0J-5odrF:
4.64
4wg0K-5odrF:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 ALA T3166
LEU T3167
LEU T3156
LEU T3140
LEU T3141
 None
 0.86A 4wg0I-5ojsT:
undetectable
4wg0J-5ojsT:
undetectable
4wg0K-5ojsT:
undetectable		 4wg0I-5ojsT:
0.35
4wg0J-5ojsT:
0.35
4wg0K-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 ALA B 202
LEU B 203
LEU B 185
LEU B 169
LEU B 164
 None
 0.96A 4wg0I-5op0B:
undetectable
4wg0J-5op0B:
undetectable
4wg0K-5op0B:
undetectable		 4wg0I-5op0B:
6.91
4wg0J-5op0B:
6.91
4wg0K-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 ALA A  59
LEU A  58
TYR A  61
LEU A  88
LEU A  84
 None
 0.94A 4wg0I-5ovtA:
undetectable
4wg0J-5ovtA:
undetectable
4wg0K-5ovtA:
undetectable		 4wg0I-5ovtA:
undetectable
4wg0J-5ovtA:
undetectable
4wg0K-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 ALA A 627
LEU A 584
TYR A 631
LEU A 525
LEU A 648
 None
 1.15A 4wg0I-5tubA:
undetectable
4wg0J-5tubA:
undetectable
4wg0K-5tubA:
undetectable		 4wg0I-5tubA:
3.17
4wg0J-5tubA:
3.17
4wg0K-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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 GLU A 104
LEU A 102
TYR A 137
LEU A  98
LEU A 129
 None
 1.22A 4wg0I-5vatA:
undetectable
4wg0J-5vatA:
undetectable
4wg0K-5vatA:
undetectable		 4wg0I-5vatA:
2.96
4wg0J-5vatA:
2.96
4wg0K-5vatA:
2.96
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.
5was HOMOSERINE KINASE
HOMOSERINE KINASE
HOMOSERINE KINASE

(Corynebacterium
glutamicum;
Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		no annotation
no annotation
no annotation 		5 ALA C 260
LEU C 273
LEU B 220
LEU A  29
LEU A  31
 None
 1.20A 4wg0I-5wasC:
undetectable
4wg0J-5wasC:
undetectable
4wg0K-5wasC:
undetectable		 4wg0I-5wasC:
undetectable
4wg0J-5wasC:
undetectable
4wg0K-5wasC:
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.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		5 GLU A 197
LEU A 199
LEU A 246
LEU A 221
LEU A 217
 None
 1.08A 4wg0I-5xgcA:
undetectable
4wg0J-5xgcA:
undetectable
4wg0K-5xgcA:
undetectable		 4wg0I-5xgcA:
2.91
4wg0J-5xgcA:
2.91
4wg0K-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 ALA A  80
LEU A  79
LEU A  31
LEU A 110
LEU A  40
 None
 1.03A 4wg0I-5xohA:
undetectable
4wg0J-5xohA:
undetectable
4wg0K-5xohA:
undetectable		 4wg0I-5xohA:
undetectable
4wg0J-5xohA:
undetectable
4wg0K-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 ALA O 117
LEU O 121
LEU a  53
ASN a  43
LEU a  64
 None
 1.12A 4wg0I-5xxuO:
undetectable
4wg0J-5xxuO:
undetectable
4wg0K-5xxuO:
undetectable		 4wg0I-5xxuO:
6.00
4wg0J-5xxuO:
6.00
4wg0K-5xxuO:
6.00
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A2195
LEU A2196
LEU A2212
LEU A2251
LEU A2252
 None
 0.92A 4wg0I-5y4dA:
undetectable
4wg0J-5y4dA:
undetectable
4wg0K-5y4dA:
undetectable		 4wg0I-5y4dA:
1.38
4wg0J-5y4dA:
1.38
4wg0K-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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A 316
LEU A 303
ASN A 298
LEU A 299
LEU A 272
 None
 1.17A 4wg0I-6c7sA:
undetectable
4wg0J-6c7sA:
undetectable
4wg0K-6c7sA:
undetectable		 4wg0I-6c7sA:
undetectable
4wg0J-6c7sA:
undetectable
4wg0K-6c7sA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 GLU A 471
LEU A 390
LEU A 394
LEU A 401
ARG A 268
 None
 1.06A 4wg0I-6cczA:
undetectable
4wg0J-6cczA:
undetectable
4wg0K-6cczA:
undetectable		 4wg0I-6cczA:
undetectable
4wg0J-6cczA:
undetectable
4wg0K-6cczA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A 452
ASN A 434
LEU A 433
ARG A 460
LEU A 461
 None
 1.14A 4wg0I-6eonA:
undetectable
4wg0J-6eonA:
undetectable
4wg0K-6eonA:
undetectable		 4wg0I-6eonA:
2.40
4wg0J-6eonA:
2.40
4wg0K-6eonA:
2.40
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 ALA A 693
LEU A 695
LEU A 881
LEU A  65
LEU A  64
 None
 1.14A 4wg0I-6eotA:
undetectable
4wg0J-6eotA:
undetectable
4wg0K-6eotA:
undetectable		 4wg0I-6eotA:
undetectable
4wg0J-6eotA:
undetectable
4wg0K-6eotA:
undetectable