SIMILAR PATTERNS OF AMINO ACIDS FOR 4J24_D_ESTD600

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.
1dl2 CLASS I
ALPHA-1,2-MANNOSIDAS
E

(Saccharomyces
cerevisiae) 		PF01532
(Glyco_hydro_47) 		5 MET A 301
MET A 304
LEU A 308
ILE A 381
LEU A 345
 None
 1.19A 4j24D-1dl2A:
undetectable		 4j24D-1dl2A:
18.59
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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF00124
(Photo_RC) 		5 LEU L 246
ALA L 245
ILE L 237
HIS L 198
LEU L 195
 None
BPH  L 606 ( 4.9A)
None
None
None
 1.23A 4j24D-1eysL:
undetectable		 4j24D-1eysL:
17.42
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 LEU A 359
GLU A 271
LEU A 269
LEU A 263
LEU A  94
 None
 1.21A 4j24D-1gz5A:
undetectable		 4j24D-1gz5A:
21.67
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.
1i51 CASPASE-7 SUBUNIT
P20

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 MET A 119
LEU A 123
ILE A 150
LEU A 162
LEU A 142
 None
 1.18A 4j24D-1i51A:
undetectable		 4j24D-1i51A:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 MET A 342
LEU A 349
GLU A 353
LEU A 391
ARG A 394
LEU A 428
 None
EST  A   1 ( 4.8A)
EST  A   1 (-2.8A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
None
 1.22A 4j24D-1pcgA:
33.1		 4j24D-1pcgA:
59.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 MET A 343
LEU A 349
ALA A 350
GLU A 353
MET A 388
LEU A 391
ARG A 394
ILE A 424
LEU A 428
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
None
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.37A 4j24D-1pcgA:
33.1		 4j24D-1pcgA:
59.18
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.
1qc7 PROTEIN (FLIG)

(Thermotoga
maritima) 		PF01706
(FliG_C) 		5 ALA A 268
LEU A 261
ILE A 249
LEU A 253
LEU A 242
 None
 1.15A 4j24D-1qc7A:
undetectable		 4j24D-1qc7A:
16.67
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.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 ALA A  39
LEU A 138
ILE A  58
LEU A  76
LEU A  55
 None
 1.15A 4j24D-1qr7A:
undetectable		 4j24D-1qr7A:
24.06
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.
1r4t EXOENZYME S

(Pseudomonas
aeruginosa) 		PF03545
(YopE) 		5 ALA A 151
LEU A 123
ILE A 176
LEU A 210
LEU A 172
 None
 1.19A 4j24D-1r4tA:
undetectable		 4j24D-1r4tA:
23.69
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.
1rmv RIBGRASS MOSAIC
VIRUS COAT PROTEIN

(Ribgrass mosaic
virus) 		PF00721
(TMV_coat) 		5 LEU A  31
ALA A  30
MET A  23
LEU A  24
ILE A  76
 None
 1.22A 4j24D-1rmvA:
undetectable		 4j24D-1rmvA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 327
GLU A 331
MET A 362
ARG A 372
LEU A 405
HIS A 494
 None
 0.60A 4j24D-1xb7A:
28.1		 4j24D-1xb7A:
34.51
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.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00342
(PGI) 		5 LEU A 287
ALA A 286
LEU A 257
LEU A 377
LEU A 310
 None
 1.17A 4j24D-1zzgA:
undetectable		 4j24D-1zzgA:
21.52
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 ALA A  34
GLU A  35
LEU A  44
LEU A  53
LEU A  64
 None
 1.17A 4j24D-2cuyA:
undetectable		 4j24D-2cuyA:
21.90
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 LEU A  64
LEU A 110
ILE A 244
LEU A 205
HIS A 194
 None
 1.21A 4j24D-2cuyA:
undetectable		 4j24D-2cuyA:
21.90
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		5 LEU A 193
ALA A 196
LEU A 140
ILE A 126
LEU A 129
 None
 1.23A 4j24D-2dh3A:
undetectable		 4j24D-2dh3A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dx0 PHOSPHOLIPASE C,
GAMMA 2

(Mus musculus) 		PF00017
(SH2) 		5 GLU A 626
LEU A 601
ILE A 614
LEU A 613
LEU A 562
 None
 1.22A 4j24D-2dx0A:
undetectable		 4j24D-2dx0A:
20.58
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		6 LEU A  38
ALA A  39
GLU A  42
LEU A 114
HIS A  34
LEU A  75
 None
 1.25A 4j24D-2fe1A:
undetectable		 4j24D-2fe1A:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 271
ALA A 272
GLU A 275
MET A 306
ARG A 316
HIS A 434
 OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.44A 4j24D-2gpvA:
27.5		 4j24D-2gpvA:
37.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		5 MET A  22
LEU A 330
ALA A 327
LEU A  88
LEU A 142
 None
 1.17A 4j24D-2nrjA:
undetectable		 4j24D-2nrjA:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 342
LEU A 349
GLU A 353
LEU A 391
LEU A 428
 None
EST  A 596 ( 4.1A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.6A)
None
 1.13A 4j24D-2ocfA:
33.9		 4j24D-2ocfA:
57.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 MET A 343
LEU A 349
ALA A 350
GLU A 353
MET A 388
LEU A 391
ARG A 394
ILE A 424
LEU A 428
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
None
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.41A 4j24D-2ocfA:
33.9		 4j24D-2ocfA:
57.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p68 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 LEU A 232
ALA A 233
LEU A 226
ILE A  88
LEU A  27
 None
 1.14A 4j24D-2p68A:
undetectable		 4j24D-2p68A:
21.51
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  35
ALA A  36
MET A  70
LEU A  77
ARG A  80
 1CA  A 247 ( 4.4A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 0.26A 4j24D-2q3yA:
28.7		 4j24D-2q3yA:
29.21
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.
2ql7 CASPASE-7

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 MET A 119
LEU A 123
ILE A 150
LEU A 162
LEU A 142
 None
 1.20A 4j24D-2ql7A:
undetectable		 4j24D-2ql7A:
21.74
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 545
ILE A 509
LEU A 500
HIS A 510
LEU A 513
 None
 1.19A 4j24D-2qzaA:
undetectable		 4j24D-2qzaA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
halodurans) 		PF00268
(Ribonuc_red_sm) 		5 LEU A  30
MET A 111
LEU A 110
ILE A 229
LEU A 225
 None
 0.96A 4j24D-2rccA:
3.3		 4j24D-2rccA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 ALA A 417
LEU A 443
ILE A 601
LEU A 538
LEU A 585
 None
 1.15A 4j24D-3ai7A:
undetectable		 4j24D-3ai7A:
15.76
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.
3c3w TWO COMPONENT
TRANSCRIPTIONAL
REGULATORY PROTEIN
DEVR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 MET A 109
LEU A 147
ILE A  63
LEU A 158
LEU A  70
 None
 1.19A 4j24D-3c3wA:
undetectable		 4j24D-3c3wA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq0 PUTATIVE
TRANSALDOLASE
YGR043C

(Saccharomyces
cerevisiae) 		PF00923
(TAL_FSA) 		5 MET A 254
LEU A 260
ILE A 271
LEU A 264
LEU A 248
 None
 1.17A 4j24D-3cq0A:
undetectable		 4j24D-3cq0A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcy REGULATOR PROTEIN

(Homo sapiens) 		PF00300
(His_Phos_1) 		5 LEU A   6
ALA A   5
LEU A 194
LEU A  46
LEU A 172
 None
 1.24A 4j24D-3dcyA:
undetectable		 4j24D-3dcyA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		5 MET A 305
LEU A 247
ALA A 246
ILE A 176
LEU A 183
 None
 1.19A 4j24D-3f6tA:
undetectable		 4j24D-3f6tA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gw4 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		PF13424
(TPR_12) 		5 ALA A 167
GLU A 166
LEU A 157
ARG A 128
LEU A 119
 None
 1.18A 4j24D-3gw4A:
undetectable		 4j24D-3gw4A:
22.31
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.
3gym PROSTASIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 126
LEU A 123
ILE A 103
LEU A  53
HIS A  91
 None
 1.24A 4j24D-3gymA:
undetectable		 4j24D-3gymA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		5 GLU A 464
LEU A 241
ARG A 244
ILE A 154
LEU A 198
 None
 1.08A 4j24D-3gzsA:
undetectable		 4j24D-3gzsA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 LEU A  75
ALA A  97
GLU A  96
MET A 125
ILE A 101
 None
 0.88A 4j24D-3higA:
undetectable		 4j24D-3higA:
15.57
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		5 MET A2011
LEU A2186
ILE A2156
LEU A2172
LEU A2138
 None
 1.12A 4j24D-3jbzA:
undetectable		 4j24D-3jbzA:
13.36
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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 ALA A  71
GLU A  72
MET A  77
ILE A  15
HIS A  93
 EDO  A 400 (-3.6A)
None
None
None
None
 1.05A 4j24D-3k31A:
undetectable		 4j24D-3k31A:
24.76
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 LEU A 598
ALA A 652
ILE A 628
LEU A 625
HIS A 645
 None
 0.90A 4j24D-3k7dA:
undetectable		 4j24D-3k7dA:
22.18
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.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 420
ALA A  79
GLU A 202
LEU A 428
ILE A  12
 None
 0.98A 4j24D-3krtA:
undetectable		 4j24D-3krtA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		5 ALA A 296
ILE A  88
LEU A  91
HIS A 143
LEU A 147
 None
 1.24A 4j24D-3ksxA:
undetectable		 4j24D-3ksxA:
24.42
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 LEU A 193
ALA A 171
GLU A 175
ILE A 202
HIS A 164
 None
None
MG  A 700 ( 3.9A)
None
SO4  A 705 (-3.9A)
 1.23A 4j24D-3lg5A:
undetectable		 4j24D-3lg5A:
21.59
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.
3lp5 PUTATIVE CELL
SURFACE HYDROLASE

(Lactobacillus
plantarum) 		PF06028
(DUF915) 		5 LEU A  83
ALA A  80
LEU A 115
ILE A 193
LEU A 161
 None
 1.15A 4j24D-3lp5A:
undetectable		 4j24D-3lp5A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 LEU A 193
ALA A 196
GLU A 192
ILE A 146
LEU A 174
 None
 1.12A 4j24D-3mc1A:
undetectable		 4j24D-3mc1A:
22.35
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 302
ALA A 299
LEU A 291
LEU A   8
LEU A 262
 None
 1.22A 4j24D-3nksA:
undetectable		 4j24D-3nksA:
21.82
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.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 MET A 104
LEU A 105
ILE A  71
LEU A 101
HIS A  70
 None
 1.23A 4j24D-3ntxA:
undetectable		 4j24D-3ntxA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p01 TWO-COMPONENT
RESPONSE REGULATOR

(Nostoc sp. PCC
7120) 		PF13185
(GAF_2) 		5 LEU A 279
LEU A 308
ILE A 209
LEU A 176
LEU A 206
 None
 1.22A 4j24D-3p01A:
undetectable		 4j24D-3p01A:
21.29
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.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 ALA A 232
LEU A 227
ILE A  91
LEU A 219
LEU A  99
 None
 1.15A 4j24D-3qj3A:
undetectable		 4j24D-3qj3A:
19.42
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.
3rhc GLUTAREDOXIN-C5,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00462
(Glutaredoxin) 		5 GLU A 105
MET A 102
LEU A 103
ILE A  84
LEU A  99
 None
 1.19A 4j24D-3rhcA:
undetectable		 4j24D-3rhcA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmv GLYCOGENIN-1

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		5 LEU A 152
ALA A 153
LEU A 167
HIS A  88
LEU A  84
 None
 1.19A 4j24D-3rmvA:
undetectable		 4j24D-3rmvA:
23.21
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.
3skd PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB187

(Thermus
thermophilus) 		no annotation 5 LEU A 176
ALA A  64
MET A  25
LEU A  26
LEU A  22
 None
 1.10A 4j24D-3skdA:
undetectable		 4j24D-3skdA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3skd PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB187

(Thermus
thermophilus) 		no annotation 5 LEU A 176
ALA A  64
MET A  25
LEU A  26
LEU A 169
 None
 1.09A 4j24D-3skdA:
undetectable		 4j24D-3skdA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tzt GLYCOSYL TRANSFERASE
FAMILY 8

(Anaerococcus
prevotii) 		PF01501
(Glyco_transf_8) 		5 LEU A   5
ALA A   4
LEU A 118
ILE A 122
LEU A 163
 None
EDO  A 302 (-4.5A)
EDO  A 302 (-4.3A)
None
None
 1.09A 4j24D-3tztA:
undetectable		 4j24D-3tztA:
23.78
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 MET A  76
LEU A  77
ILE A  88
LEU A  73
LEU A  96
 None
 1.18A 4j24D-4a2qA:
undetectable		 4j24D-4a2qA:
14.74
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.
4bjp PENICILLIN BINDING
PROTEIN
TRANSPEPTIDASE
DOMAIN PROTEIN

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A  82
ALA A  83
LEU A 178
LEU A 393
LEU A 200
 EDO  A 642 (-4.2A)
None
None
None
None
 1.14A 4j24D-4bjpA:
undetectable		 4j24D-4bjpA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cs6 AMINOGLYCOSIDE
ADENYLTRANSFERASE

(Salmonella
enterica) 		PF01909
(NTP_transf_2)
PF13427
(DUF4111) 		5 LEU A  92
LEU A  58
ILE A  20
LEU A  66
LEU A  51
 None
 1.18A 4j24D-4cs6A:
undetectable		 4j24D-4cs6A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkb DEOXYURIDINE
TRIPHOSPHATASE

(Trypanosoma
brucei) 		PF08761
(dUTPase_2) 		5 ALA A 194
LEU A  81
ILE A  13
LEU A  17
LEU A 247
 None
 1.06A 4j24D-4dkbA:
undetectable		 4j24D-4dkbA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fhr FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Thermotoga
maritima) 		PF01706
(FliG_C)
PF14841
(FliG_M) 		5 ALA B 268
LEU B 261
ILE B 249
LEU B 253
LEU B 242
 None
 1.12A 4j24D-4fhrB:
undetectable		 4j24D-4fhrB:
24.90
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.
4hk1 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Drosophila
melanogaster) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 MET A  68
LEU A  37
LEU A  16
ILE A 101
LEU A  79
 None
 1.05A 4j24D-4hk1A:
undetectable		 4j24D-4hk1A:
20.42
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
ARG D 316
ILE D 345
HIS D 435
LEU D 436
 None
 1.11A 4j24D-4j5xD:
24.1		 4j24D-4j5xD:
28.62
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.
4j8l UNCHARACTERIZED
PROTEIN YHFS

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 LEU A  70
ALA A 232
LEU A 239
LEU A  21
HIS A  28
 None
 1.18A 4j24D-4j8lA:
undetectable		 4j24D-4j8lA:
22.53
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 143
MET A 336
ILE A   4
LEU A 350
LEU A 162
 None
 1.20A 4j24D-4jatA:
undetectable		 4j24D-4jatA:
23.12
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.
4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomonospora
viridis) 		PF00171
(Aldedh) 		5 ALA A 123
LEU A 182
ILE A 166
LEU A 162
LEU A 139
 ALA  A 123 ( 0.0A)
LEU  A 182 ( 0.6A)
ILE  A 166 ( 0.7A)
LEU  A 162 ( 0.6A)
LEU  A 139 ( 0.6A)
 1.20A 4j24D-4jbeA:
undetectable		 4j24D-4jbeA:
21.81
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.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 ALA A 109
LEU A  27
ILE A  91
LEU A  87
LEU A 118
 None
 1.09A 4j24D-4jfcA:
undetectable		 4j24D-4jfcA:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 286
ALA A 287
GLU A 290
MET A 321
ARG A 331
ILE A 361
 None
 0.57A 4j24D-4n1yA:
30.9		 4j24D-4n1yA:
38.37
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		5 LEU A   3
ALA A   4
LEU A  42
ILE A  99
LEU A  95
 None
 1.06A 4j24D-4o6mA:
undetectable		 4j24D-4o6mA:
23.08
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.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 560
LEU A 566
MET A 601
LEU A 608
ARG A 611
 MOF  A 801 (-3.9A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
 0.81A 4j24D-4p6wA:
27.9		 4j24D-4p6wA:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 ALA A 446
GLU A 449
LEU A 189
LEU A 269
HIS A 136
 HEM  A 601 (-3.4A)
None
None
None
None
 1.11A 4j24D-4r20A:
undetectable		 4j24D-4r20A:
19.66
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		5 LEU A 354
ALA A 355
LEU A 236
ILE A  82
LEU A 235
 HEM  A 401 (-4.7A)
HEM  A 401 (-3.5A)
HEM  A 401 ( 4.1A)
HEM  A 401 (-4.0A)
HEM  A 401 ( 4.4A)
 1.15A 4j24D-4rm4A:
undetectable		 4j24D-4rm4A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 406
ALA A 407
GLU A 410
HIS A 449
LEU A 447
 None
 1.13A 4j24D-4u98A:
undetectable		 4j24D-4u98A:
17.86
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 772
ALA A 773
MET A 807
LEU A 814
ARG A 817
 CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.37A 4j24D-4udbA:
27.7		 4j24D-4udbA:
27.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wum CHALCONE SYNTHASE

(Freesia hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A  17
LEU A 171
ILE A  22
LEU A 343
LEU A  20
 None
 1.22A 4j24D-4wumA:
undetectable		 4j24D-4wumA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xaa PUTATIVE OXYGENASE

(Streptomyces
viridochromogenes) 		PF05721
(PhyH) 		5 LEU A  42
ARG A  45
ILE A 210
LEU A 111
LEU A  86
 None
 1.15A 4j24D-4xaaA:
undetectable		 4j24D-4xaaA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y68 PUTATIVE
NISIN-RESISTANCE
PROTEIN

(Streptococcus
agalactiae) 		no annotation 5 LEU C 165
LEU C 180
ILE C 152
LEU C 153
LEU C 128
 None
 1.19A 4j24D-4y68C:
undetectable		 4j24D-4y68C:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zi5 P91

(metagenome) 		PF01738
(DLH) 		5 LEU A  60
ALA A  62
LEU A  98
ILE A 137
LEU A 134
 None
 1.17A 4j24D-4zi5A:
undetectable		 4j24D-4zi5A:
19.78
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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		5 LEU A1433
ALA A1434
LEU A1395
LEU A1344
LEU A1413
 None
 1.16A 4j24D-4ziuA:
undetectable		 4j24D-4ziuA:
18.14
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.
4zvs CASPASE-7

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 MET A 119
LEU A 123
ILE A 150
LEU A 162
LEU A 142
 None
 1.24A 4j24D-4zvsA:
undetectable		 4j24D-4zvsA:
19.92
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 LEU A 256
LEU A 311
ILE A 456
LEU A 454
LEU A 436
 None
 1.23A 4j24D-4zxiA:
undetectable		 4j24D-4zxiA:
11.05
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		5 MET A 862
LEU A 865
ARG A 868
ILE A 885
LEU A 881
 None
 1.23A 4j24D-5csaA:
undetectable		 4j24D-5csaA:
11.99
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.
5ddb MENIN

(Homo sapiens) 		PF05053
(Menin) 		5 LEU A  27
ALA A  24
LEU A 263
LEU A 259
LEU A  10
 None
 1.17A 4j24D-5ddbA:
undetectable		 4j24D-5ddbA:
18.98
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.
5e6g DE NOVO DESIGNED
PROTEIN CA01

(synthetic
construct) 		no annotation 5 ALA A  65
LEU A  46
ILE A  15
LEU A  16
LEU A 106
 None
 1.03A 4j24D-5e6gA:
undetectable		 4j24D-5e6gA:
19.17
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ALA B  94
MET B 169
LEU B 172
ILE B  69
LEU B 218
 None
 1.10A 4j24D-5g5gB:
undetectable		 4j24D-5g5gB:
22.82
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 MET B 165
LEU B 172
ALA B 174
LEU B  67
LEU B 113
 None
 1.24A 4j24D-5g5gB:
undetectable		 4j24D-5g5gB:
22.82
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 ALA A 198
MET A 578
LEU A 581
ILE A 726
LEU A 582
 None
 1.20A 4j24D-5gamA:
undetectable		 4j24D-5gamA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		5 LEU A 614
ILE A 642
LEU A 644
HIS A 557
LEU A 555
 None
 1.16A 4j24D-5gggA:
undetectable		 4j24D-5gggA:
17.21
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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG

(Escherichia
coli;
Serratia) 		PF13416
(SBP_bac_8) 		5 ALA A 435
MET A 443
LEU A 446
ARG A 449
LEU A 419
 None
 1.18A 4j24D-5gxvA:
undetectable		 4j24D-5gxvA:
19.57
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 521
ALA A 549
ILE A 596
LEU A 591
HIS A 575
 None
 1.17A 4j24D-5hdhA:
undetectable		 4j24D-5hdhA:
14.65
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.
5hxa ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 LEU A 369
GLU A 281
LEU A 279
LEU A 273
LEU A 103
 None
 1.21A 4j24D-5hxaA:
undetectable		 4j24D-5hxaA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jhq TANKYRASE-1

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3) 		5 MET A 584
ALA A 565
LEU A 526
LEU A 545
HIS A 578
 None
 1.12A 4j24D-5jhqA:
undetectable		 4j24D-5jhqA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 GLU A 274
LEU A 313
ARG A 260
ILE A 284
LEU A 311
 None
 1.17A 4j24D-5m11A:
undetectable		 4j24D-5m11A:
16.21
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 LEU A 670
LEU A 518
ILE A 908
HIS A 640
LEU A 638
 None
 1.11A 4j24D-5m5pA:
undetectable		 4j24D-5m5pA:
8.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU A 772
ALA A 773
MET A 807
LEU A 814
ARG A 817
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.8A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 0.31A 4j24D-5mwpA:
28.0		 4j24D-5mwpA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2u NUCLEOPROTEIN

(Influenza D
virus) 		no annotation 5 MET A 257
LEU A 193
ILE A 223
LEU A 219
LEU A 238
 None
 1.24A 4j24D-5n2uA:
undetectable		 4j24D-5n2uA:
17.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 MET A 294
LEU A 301
GLU A 305
MET A 340
LEU A 343
ARG A 346
LEU A 380
 None
EST  A 601 ( 4.3A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
 1.12A 4j24D-5toaA:
33.8		 4j24D-5toaA:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 295
LEU A 301
ALA A 302
GLU A 305
MET A 336
MET A 340
LEU A 343
ARG A 346
ILE A 376
LEU A 380
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 ( 3.7A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
None
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.32A 4j24D-5toaA:
33.8		 4j24D-5toaA:
99.58
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A  96
GLU A 168
ILE A  39
LEU A  41
LEU A  34
 None
 1.07A 4j24D-5u4hA:
undetectable		 4j24D-5u4hA:
22.84
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.
5uxb MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH

(Brachybacterium
faecium) 		PF01636
(APH) 		5 LEU A  67
GLU A  63
LEU A 213
ILE A 209
LEU A 130
 None
 1.21A 4j24D-5uxbA:
undetectable		 4j24D-5uxbA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		5 LEU A  94
ALA A  95
LEU A  83
HIS A 107
LEU A 104
 None
 1.23A 4j24D-5w15A:
undetectable		 4j24D-5w15A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 5 LEU D1063
ALA D1062
LEU D1048
ILE D1026
LEU D1044
 None
 1.08A 4j24D-5xbkD:
undetectable		 4j24D-5xbkD:
15.35
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.
5zb3 -

(-) 		no annotation 5 LEU A 328
ALA A 435
LEU A 279
ILE A 419
LEU A 416
 None
 1.17A 4j24D-5zb3A:
undetectable		 4j24D-5zb3A:
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 5 MET A 577
ALA A 558
LEU A 519
LEU A 538
HIS A 571
 None
 1.24A 4j24D-6cf6A:
undetectable		 4j24D-6cf6A:
17.65