SIMILAR PATTERNS OF AMINO ACIDS FOR 1I2W_A_CFXA1300_2

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.
1aei ANNEXIN XII

(Hydra vulgaris)
PF00191
(Annexin)
4 TYR A 248
LEU A 279
THR A 266
ARG A 269
None
1.19A 1i2wA-1aeiA:
undetectable
1i2wA-1aeiA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aol GP70

(Murine leukemia
virus)
PF00429
(TLV_coat)
4 TYR A 206
LEU A  41
THR A 202
ARG A 227
None
1.28A 1i2wA-1aolA:
undetectable
1i2wA-1aolA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bk6 KARYOPHERIN ALPHA

(Saccharomyces
cerevisiae)
PF00514
(Arm)
PF16186
(Arm_3)
4 TYR A 283
PRO A 250
LEU A 212
THR A 236
None
1.27A 1i2wA-1bk6A:
undetectable
1i2wA-1bk6A:
23.19
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)


(Paracoccus
denitrificans)
PF01012
(ETF)
4 PRO B 175
LEU B 116
THR B 145
ARG B 161
None
1.21A 1i2wA-1efpB:
undetectable
1i2wA-1efpB:
23.38
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.
1fbv SIGNAL TRANSDUCTION
PROTEIN CBL


(Homo sapiens)
PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3)
PF14447
(Prok-RING_4)
4 TYR A  83
PRO A  89
THR A 152
ARG A 148
None
1.15A 1i2wA-1fbvA:
undetectable
1i2wA-1fbvA:
21.76
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.
1fn4 MONOCLONAL ANTIBODY
AGAINST
ACETYLCHOLINE
RECEPTOR


(Rattus
norvegicus)
PF07654
(C1-set)
PF07686
(V-set)
4 PRO A  80
LEU A 106
THR A  74
ARG A  18
None
1.27A 1i2wA-1fn4A:
undetectable
1i2wA-1fn4A:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa)
PF13354
(Beta-lactamase2)
4 TYR A 105
PRO A 167
LEU A 169
ARG A 244
None
None
None
SO4  A 400 ( 4.6A)
0.62A 1i2wA-1g68A:
38.2
1i2wA-1g68A:
32.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris)
PF13354
(Beta-lactamase2)
4 TYR A 105
PRO A 167
LEU A 169
THR A 235
MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
0.57A 1i2wA-1hzoA:
41.6
1i2wA-1hzoA:
43.71
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.
1ic8 HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA


(Homo sapiens)
PF00046
(Homeobox)
PF04814
(HNF-1_N)
4 PRO A 129
LEU A 123
THR A 164
ARG A 168
None
1.39A 1i2wA-1ic8A:
undetectable
1i2wA-1ic8A:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae)
PF13354
(Beta-lactamase2)
4 TYR A 105
LEU A 169
THR A 235
ARG A 244
EPE  A 400 (-3.6A)
None
EPE  A 400 (-3.8A)
MA4  A 310 ( 3.8A)
0.39A 1i2wA-1n9bA:
34.6
1i2wA-1n9bA:
36.39
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E


(Escherichia
coli)
PF00328
(His_Phos_2)
4 TYR A 218
PRO A  23
LEU A  24
THR A 314
None
1.35A 1i2wA-1nt4A:
undetectable
1i2wA-1nt4A:
21.38
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.
1pd2 HEMATOPOIETIC
PROSTAGLANDIN D
SYNTHASE


(Rattus
norvegicus)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 PRO 1 125
LEU 1 127
THR 1 158
ARG 1 178
None
1.23A 1i2wA-1pd21:
undetectable
1i2wA-1pd21:
23.00
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.
1pq4 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER


(Synechocystis
sp. PCC 6803)
PF01297
(ZnuA)
4 TYR A  85
PRO A 111
LEU A 113
THR A  52
None
1.25A 1i2wA-1pq4A:
undetectable
1i2wA-1pq4A:
23.40
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))


(Homo sapiens)
PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer)
4 TYR P 166
PRO P 234
LEU P  45
THR P 127
None
1.36A 1i2wA-1svcP:
undetectable
1i2wA-1svcP:
20.80
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.
1thg LIPASE 2

(Galactomyces
candidus)
PF00135
(COesterase)
4 TYR A 273
PRO A 168
LEU A 172
THR A 278
None
1.25A 1i2wA-1thgA:
undetectable
1i2wA-1thgA:
18.73
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE


(Thermus
thermophilus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 TYR A 169
PRO A 205
LEU A 209
ARG A 162
None
1.39A 1i2wA-1uekA:
undetectable
1i2wA-1uekA:
22.57
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.
1vav ALGINATE LYASE
PA1167


(Pseudomonas
aeruginosa)
PF08787
(Alginate_lyase2)
4 TYR A 193
LEU A 218
THR A  10
ARG A  59
None
1.40A 1i2wA-1vavA:
undetectable
1i2wA-1vavA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w45 ANNEXIN A8

(Homo sapiens)
PF00191
(Annexin)
4 TYR A 257
LEU A 288
THR A 275
ARG A 278
None
1.21A 1i2wA-1w45A:
undetectable
1i2wA-1w45A:
24.59
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.
1wa5 IMPORTIN ALPHA
SUBUNIT


(Saccharomyces
cerevisiae)
PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3)
4 TYR B 283
PRO B 250
LEU B 212
THR B 236
None
1.33A 1i2wA-1wa5B:
undetectable
1i2wA-1wa5B:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yii ANNEXIN A5

(Gallus gallus)
PF00191
(Annexin)
4 TYR A 250
LEU A 281
THR A 268
ARG A 271
None
1.15A 1i2wA-1yiiA:
undetectable
1i2wA-1yiiA:
23.96
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.
1yzw GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN


(Heteractis
crispa)
PF01353
(GFP)
4 PRO A 150
LEU A 155
THR A 145
ARG A 219
None
0.98A 1i2wA-1yzwA:
undetectable
1i2wA-1yzwA:
22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli)
PF13354
(Beta-lactamase2)
4 TYR A 105
PRO A 167
LEU A 169
ARG A 244
None
0.53A 1i2wA-1zg4A:
37.5
1i2wA-1zg4A:
37.46
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE


(Archaeoglobus
fulgidus)
PF01238
(PMI_typeI)
4 TYR A 257
LEU A 251
THR A 265
ARG A 261
None
1.27A 1i2wA-1zx5A:
undetectable
1i2wA-1zx5A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abk ENDONUCLEASE III

(Escherichia
coli)
PF00633
(HHH)
PF00730
(HhH-GPD)
PF10576
(EndIII_4Fe-2S)
4 PRO A  29
LEU A  32
THR A 134
ARG A 108
None
1.25A 1i2wA-2abkA:
undetectable
1i2wA-2abkA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis)
PF00291
(PALP)
4 TYR A 204
PRO A 188
LEU A 184
THR A  39
None
1.34A 1i2wA-2d1fA:
undetectable
1i2wA-2d1fA:
22.83
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium)
PF00232
(Glyco_hydro_1)
4 TYR A 301
LEU A 350
THR A 227
ARG A  77
None
1.39A 1i2wA-2e3zA:
undetectable
1i2wA-2e3zA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR


(Mycobacterium
tuberculosis)
PF02515
(CoA_transf_3)
4 TYR A 224
PRO A 222
LEU A 275
THR A 299
None
1.11A 1i2wA-2gd2A:
undetectable
1i2wA-2gd2A:
22.16
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.
2h8q RED FLUORESCENT
PROTEIN DRFP583


(Discosoma sp.)
PF01353
(GFP)
4 PRO A 152
LEU A 157
THR A 147
ARG A 220
None
0.90A 1i2wA-2h8qA:
undetectable
1i2wA-2h8qA:
21.99
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780


(Pyrococcus
abyssi)
PF05958
(tRNA_U5-meth_tr)
4 TYR A 278
LEU A 404
THR A 371
ARG A 374
SAH  A1406 (-4.7A)
None
None
None
1.20A 1i2wA-2jjqA:
undetectable
1i2wA-2jjqA:
20.00
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.
2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)


(Thermus
aquaticus)
PF00476
(DNA_pol_A)
PF09281
(Taq-exonuc)
4 TYR A 671
LEU A 622
THR A 571
ARG A 728
DCT  A 113 (-4.7A)
None
None
None
1.31A 1i2wA-2ktqA:
undetectable
1i2wA-2ktqA:
20.22
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1


(Thermotoga
maritima)
PF00749
(tRNA-synt_1c)
4 TYR A 268
PRO A 270
LEU A  63
THR A 258
None
1.31A 1i2wA-2o5rA:
undetectable
1i2wA-2o5rA:
21.17
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.
2ogf HYPOTHETICAL PROTEIN
MJ0408


(Methanocaldococcus
jannaschii)
PF04038
(DHNA)
4 TYR A  45
PRO A  41
LEU A  81
ARG A  52
None
1.35A 1i2wA-2ogfA:
undetectable
1i2wA-2ogfA:
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.
2ov1 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER


(Synechocystis
sp. PCC 6803)
PF01297
(ZnuA)
4 TYR A  85
PRO A 111
LEU A 113
THR A  52
None
1.32A 1i2wA-2ov1A:
undetectable
1i2wA-2ov1A:
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE


(Porphyromonas
gingivalis)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 TYR A  20
LEU A  55
THR A  59
ARG A  62
None
None
None
EDO  A 323 (-3.9A)
1.33A 1i2wA-2qytA:
undetectable
1i2wA-2qytA:
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.
2ran ANNEXIN V

(Rattus
norvegicus)
PF00191
(Annexin)
4 TYR A 248
LEU A 279
THR A 266
ARG A 269
None
1.13A 1i2wA-2ranA:
undetectable
1i2wA-2ranA:
24.93
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.
2vad RED FLUORESCENT
PROTEIN


(Discosoma sp.)
PF01353
(GFP)
4 PRO A 152
LEU A 157
THR A 147
ARG A 220
None
CL  A1227 (-4.9A)
None
None
0.92A 1i2wA-2vadA:
undetectable
1i2wA-2vadA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli)
PF13354
(Beta-lactamase2)
4 TYR A 105
PRO A 167
LEU A 169
THR A 235
None
0.61A 1i2wA-2wyxA:
40.9
1i2wA-2wyxA:
41.30
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.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus)
PF00291
(PALP)
4 TYR A 197
PRO A 181
LEU A 177
THR A  31
None
1.34A 1i2wA-2zsjA:
undetectable
1i2wA-2zsjA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE


(Cellulomonas
gilvus)
PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36)
4 TYR A 103
PRO A 122
LEU A 123
THR A 316
None
1.15A 1i2wA-3actA:
undetectable
1i2wA-3actA:
16.73
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.
3bbj PUTATIVE
THIOESTERASE II


(Thermobifida
fusca)
PF13622
(4HBT_3)
4 PRO A  72
LEU A  25
THR A  99
ARG A  66
None
None
None
SO4  A 272 (-4.2A)
1.24A 1i2wA-3bbjA:
undetectable
1i2wA-3bbjA:
21.54
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.
3brn LIPOCALIN

(Argas
monolakensis)
PF02098
(His_binding)
4 TYR A 152
PRO A 155
LEU A 156
ARG A  30
None
1.30A 1i2wA-3brnA:
undetectable
1i2wA-3brnA:
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.
3bxa FAR-RED FLUORESCENT
PROTEIN MKATE


(Entacmaea
quadricolor)
PF01353
(GFP)
4 PRO A 149
LEU A 154
THR A 144
ARG A 220
None
1.07A 1i2wA-3bxaA:
undetectable
1i2wA-3bxaA:
21.94
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.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483


(Discosoma
striata)
PF01353
(GFP)
4 PRO A 152
LEU A 157
THR A 147
ARG A 221
None
0.97A 1i2wA-3cglA:
undetectable
1i2wA-3cglA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff4 UNCHARACTERIZED
PROTEIN


(Cytophaga
hutchinsonii)
PF13380
(CoA_binding_2)
4 TYR A  62
LEU A  94
THR A  58
ARG A  82
None
1.23A 1i2wA-3ff4A:
undetectable
1i2wA-3ff4A:
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.
3gxo MMCR

(Streptomyces
lavendulae)
PF00891
(Methyltransf_2)
4 PRO A  44
LEU A  47
THR A  55
ARG A  69
None
1.33A 1i2wA-3gxoA:
undetectable
1i2wA-3gxoA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE


(Aspergillus
fumigatus)
PF11991
(Trp_DMAT)
4 TYR A 310
PRO A 313
LEU A 315
THR A 347
None
None
GOL  A 462 ( 4.4A)
None
1.36A 1i2wA-3i4xA:
undetectable
1i2wA-3i4xA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis)
PF13354
(Beta-lactamase2)
4 TYR A 118
LEU A 182
THR A 248
ARG A 256
EPE  A 305 (-3.3A)
None
EPE  A 305 (-3.6A)
EPE  A 305 (-3.7A)
0.34A 1i2wA-3lezA:
44.1
1i2wA-3lezA:
55.67
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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron)
PF04616
(Glyco_hydro_43)
4 TYR A 404
PRO A 287
THR A 226
ARG A 443
None
1.26A 1i2wA-3nqhA:
undetectable
1i2wA-3nqhA:
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE


(Enterobacter
cloacae)
PF00328
(His_Phos_2)
4 TYR A 216
PRO A  21
LEU A  22
THR A 312
None
None
IHP  A 550 (-3.7A)
None
1.31A 1i2wA-3ntlA:
undetectable
1i2wA-3ntlA:
21.30
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.
3o6q STAGE II SPORULATION
PROTEIN SA


(Bacillus
subtilis)
PF14171
(SpoIISA_toxin)
4 TYR A 211
LEU A 186
THR A 165
ARG A 171
None
1.36A 1i2wA-3o6qA:
undetectable
1i2wA-3o6qA:
19.16
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 PRO A 231
LEU A 278
THR A 242
ARG A 246
None
0.90A 1i2wA-3popA:
undetectable
1i2wA-3popA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qdk RIBULOKINASE

(Bacillus
halodurans)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 TYR A 177
PRO A 101
LEU A 184
THR A 235
None
1.26A 1i2wA-3qdkA:
undetectable
1i2wA-3qdkA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwa FLUORESCENT PROTEIN
FP480


(Entacmaea
quadricolor)
PF01353
(GFP)
4 PRO A 219
LEU A 224
THR A 214
ARG A  53
None
1.29A 1i2wA-3rwaA:
undetectable
1i2wA-3rwaA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis)
PF00232
(Glyco_hydro_1)
4 TYR A 345
LEU A 400
THR A 271
ARG A 111
None
1.37A 1i2wA-3wq4A:
undetectable
1i2wA-3wq4A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct)
PF13354
(Beta-lactamase2)
4 TYR A 105
LEU A 169
THR A 235
ARG A 244
None
None
SO4  A1291 (-3.6A)
SO4  A1291 ( 3.6A)
0.38A 1i2wA-3zdjA:
38.1
1i2wA-3zdjA:
38.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae)
PF13354
(Beta-lactamase2)
4 TYR A 105
PRO A 167
LEU A 169
THR A 235
None
0.45A 1i2wA-3znyA:
41.6
1i2wA-3znyA:
41.22
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE


(Pseudomonas
aeruginosa)
PF00348
(polyprenyl_synt)
4 PRO A 201
LEU A 204
THR A 142
ARG A 146
None
1.23A 1i2wA-3zouA:
undetectable
1i2wA-3zouA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I


(Anas
platyrhynchos)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2)
4 TYR A 393
LEU A 363
THR A 370
ARG A 292
None
1.27A 1i2wA-4a2wA:
undetectable
1i2wA-4a2wA:
16.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct)
PF13354
(Beta-lactamase2)
5 TYR A 105
PRO A 167
LEU A 169
THR A 235
ARG A 244
None
None
None
SO4  A 291 (-3.8A)
SO4  A 291 (-4.1A)
0.75A 1i2wA-4c75A:
41.1
1i2wA-4c75A:
54.84
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A


(Cellvibrio
japonicus)
PF02449
(Glyco_hydro_42)
4 PRO A  72
LEU A  75
THR A 196
ARG A 119
None
1.34A 1i2wA-4d1iA:
undetectable
1i2wA-4d1iA:
22.44
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN


(Hahella
chejuensis)
PF02011
(Glyco_hydro_48)
4 TYR A  63
PRO A  74
LEU A 181
THR A 199
None
1.36A 1i2wA-4fusA:
undetectable
1i2wA-4fusA:
16.64
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.
4gbm CURM
SULFOTRANSFERASE


(Moorea
producens)
PF13469
(Sulfotransfer_3)
4 TYR A 248
LEU A 229
THR A  43
ARG A  46
None
None
A3P  A 406 ( 3.6A)
None
1.20A 1i2wA-4gbmA:
undetectable
1i2wA-4gbmA:
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.
4gjp HAX3

(Xanthomonas
campestris)
PF03377
(TAL_effector)
4 PRO A 563
LEU A 527
THR A 547
ARG A 550
None
1.40A 1i2wA-4gjpA:
undetectable
1i2wA-4gjpA:
21.17
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.
4gjp HAX3

(Xanthomonas
campestris)
PF03377
(TAL_effector)
4 PRO A 665
LEU A 629
THR A 649
ARG A 652
None
1.33A 1i2wA-4gjpA:
undetectable
1i2wA-4gjpA:
21.17
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.
4gox POLYKETIDE SYNTHASE

(Synechococcus
sp. PCC 7002)
PF13469
(Sulfotransfer_3)
4 TYR A 248
LEU A 229
THR A  43
ARG A  46
A3P  A 401 (-4.6A)
None
A3P  A 401 (-3.6A)
None
1.36A 1i2wA-4goxA:
undetectable
1i2wA-4goxA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gri GLUTAMATE--TRNA
LIGASE


(Borreliella
burgdorferi)
PF00749
(tRNA-synt_1c)
4 TYR A 270
PRO A 272
LEU A  65
THR A 260
None
1.09A 1i2wA-4griA:
undetectable
1i2wA-4griA:
21.44
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.
4hjj ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 TYR L 254
PRO L 128
LEU L 191
THR L 123
None
1.31A 1i2wA-4hjjL:
undetectable
1i2wA-4hjjL:
23.88
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.
4kf5 FLUORESCENT PROTEIN
SFCHERRY+GFP10-11


(synthetic
construct)
PF01353
(GFP)
4 PRO C 152
LEU C 157
THR C 147
ARG C 260
None
0.94A 1i2wA-4kf5C:
undetectable
1i2wA-4kf5C:
21.96
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.
4mrp ABC TRANSPORTER
RELATED PROTEIN


(Novosphingobium
aromaticivorans)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
4 TYR A  87
LEU A  54
THR A 309
ARG A 313
None
1.27A 1i2wA-4mrpA:
undetectable
1i2wA-4mrpA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oca UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE


(Salmonella
enterica)
PF01041
(DegT_DnrJ_EryC1)
4 TYR A 136
PRO A 140
LEU A 143
THR A  84
None
1.38A 1i2wA-4ocaA:
undetectable
1i2wA-4ocaA:
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.
4oer NIKA PROTEIN

(Brucella suis)
PF00496
(SBP_bac_5)
4 TYR A  32
PRO A  34
LEU A  35
THR A  88
None
1.15A 1i2wA-4oerA:
undetectable
1i2wA-4oerA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pde PROTEIN FDHD

(Escherichia
coli)
PF02634
(FdhD-NarQ)
4 TYR A 269
PRO A 272
LEU A 275
ARG A 265
None
None
None
GDP  A 300 (-3.0A)
1.14A 1i2wA-4pdeA:
undetectable
1i2wA-4pdeA:
21.47
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.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)


(Agrobacterium
vitis)
PF01547
(SBP_bac_1)
4 TYR A 135
PRO A 133
LEU A 123
ARG A  65
MTL  A 501 (-4.5A)
None
None
MTL  A 501 (-3.1A)
1.36A 1i2wA-4ryaA:
undetectable
1i2wA-4ryaA:
21.58
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE


(Escherichia
coli)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 PRO A 136
LEU A 131
THR A 301
ARG A 304
None
1.23A 1i2wA-4uekA:
undetectable
1i2wA-4uekA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA


(Bacillus
subtilis)
PF06160
(EzrA)
4 TYR A 211
PRO A 216
LEU A 219
THR A 272
None
1.36A 1i2wA-4uxvA:
undetectable
1i2wA-4uxvA:
20.80
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.
4yeb FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3


(Mus musculus)
PF13855
(LRR_8)
4 TYR B  91
LEU B 102
THR B  62
ARG B  87
None
1.38A 1i2wA-4yebB:
undetectable
1i2wA-4yebB:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z81 EGF FAMILY
DOMAIN-CONTAINING
PROTEIN


(Toxoplasma
gondii)
PF02430
(AMA-1)
PF07974
(EGF_2)
4 TYR A 150
PRO A 401
LEU A 402
THR A 394
None
1.27A 1i2wA-4z81A:
undetectable
1i2wA-4z81A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE


(Streptococcus
pneumoniae)
PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C)
4 TYR A 393
PRO A 379
LEU A 397
THR A 424
None
1.38A 1i2wA-5a55A:
undetectable
1i2wA-5a55A:
13.90
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Burkholderia
vietnamiensis)
PF02350
(Epimerase_2)
4 PRO A 330
LEU A 332
THR A 311
ARG A 309
None
None
None
ACT  A 505 (-4.1A)
1.35A 1i2wA-5dldA:
undetectable
1i2wA-5dldA:
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5


(Homo sapiens)
PF00005
(ABC_tran)
PF01061
(ABC2_membrane)
4 TYR A 628
PRO A 632
LEU A 634
THR A 430
None
1.27A 1i2wA-5do7A:
undetectable
1i2wA-5do7A:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica)
PF13354
(Beta-lactamase2)
4 TYR A  82
PRO A 144
LEU A 146
THR A 212
None
0.58A 1i2wA-5e2eA:
41.6
1i2wA-5e2eA:
41.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica)
PF13354
(Beta-lactamase2)
4 TYR A  82
PRO A 144
THR A 212
ARG A 251
None
1.31A 1i2wA-5e2eA:
41.6
1i2wA-5e2eA:
41.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF13354
(Beta-lactamase2)
4 TYR A  97
PRO A 160
LEU A 162
THR A 228
CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
0.55A 1i2wA-5eoeA:
39.1
1i2wA-5eoeA:
37.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN


(Exiguobacterium
antarcticum)
PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4)
4 TYR A  71
LEU A 205
THR A 128
ARG A 130
None
1.27A 1i2wA-5h3hA:
undetectable
1i2wA-5h3hA:
22.57
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.
5i5d INNER MEMBRANE
PROTEIN YEJM


(Salmonella
enterica)
PF00884
(Sulfatase)
PF11893
(DUF3413)
4 PRO A 280
LEU A 282
THR A 293
ARG A 484
None
1.21A 1i2wA-5i5dA:
undetectable
1i2wA-5i5dA:
19.82
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.
5lk4 MSCARLET

(Discosoma sp.)
PF01353
(GFP)
4 PRO A 153
LEU A 158
THR A 148
ARG A 221
None
None
PGE  A 306 (-4.7A)
PO4  A 302 (-3.1A)
1.07A 1i2wA-5lk4A:
undetectable
1i2wA-5lk4A:
23.00
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.
5mjv CAPSID SUBUNIT VP0

(Parechovirus A)
PF00073
(Rhv)
4 TYR C 154
PRO C 115
LEU C 272
ARG C 278
None
1.20A 1i2wA-5mjvC:
undetectable
1i2wA-5mjvC:
20.00
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae)
PF13691
(Lactamase_B_4)
4 TYR A 347
PRO A 350
THR A 473
ARG A 482
None
1.30A 1i2wA-5mtzA:
undetectable
1i2wA-5mtzA:
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.
5oyp STRUCTURAL PROTEIN
VP2


(Sacbrood virus)
no annotation 4 TYR B  83
PRO B  85
LEU B 112
ARG B 152
None
1.22A 1i2wA-5oypB:
undetectable
1i2wA-5oypB:
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.
5vqi IMPORTIN SUBUNIT
ALPHA


(Neurospora
crassa)
no annotation 4 TYR B 277
PRO B 244
LEU B 205
THR B 230
None
1.33A 1i2wA-5vqiB:
undetectable
1i2wA-5vqiB:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wka BETA-GLUCOSIDASE

(metagenome)
no annotation 4 TYR A 292
LEU A 353
THR A 215
ARG A  73
GOL  A 501 (-4.3A)
None
None
None
1.22A 1i2wA-5wkaA:
undetectable
1i2wA-5wkaA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wka BETA-GLUCOSIDASE

(metagenome)
no annotation 4 TYR A 292
PRO A 294
LEU A 221
THR A 164
GOL  A 501 (-4.3A)
None
None
None
1.38A 1i2wA-5wkaA:
undetectable
1i2wA-5wkaA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1)
no annotation 4 TYR A 217
LEU A 285
THR A 301
ARG A 319
None
None
None
CA  A1006 (-4.0A)
1.30A 1i2wA-5wmmA:
undetectable
1i2wA-5wmmA:
14.18
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.
5wyb PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE


(Pseudomonas
aeruginosa)
no annotation 4 PRO B 162
LEU B 164
THR B 184
ARG B 187
None
1.10A 1i2wA-5wybB:
undetectable
1i2wA-5wybB:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xya -

(-)
no annotation 4 TYR A1106
LEU A1101
THR A1027
ARG A1034
None
1.16A 1i2wA-5xyaA:
undetectable
1i2wA-5xyaA:
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli)
no annotation 4 TYR A 105
PRO A 167
LEU A 169
THR A 235
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
None
3GK  A 301 (-3.7A)
0.39A 1i2wA-6bu3A:
41.6
1i2wA-6bu3A:
16.42
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)


(Escherichia
coli)
no annotation 4 PRO A 403
LEU A 513
THR A 441
ARG A 449
None
None
ATP  A 601 ( 4.1A)
ATP  A 601 (-3.1A)
1.31A 1i2wA-6d5iA:
undetectable
1i2wA-6d5iA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eh1 STRUCTURAL PROTEIN
VP2


(Sacbrood virus)
no annotation 4 TYR B  83
PRO B  85
LEU B 112
ARG B 152
None
1.23A 1i2wA-6eh1B:
undetectable
1i2wA-6eh1B:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum)
no annotation 4 PRO A 414
LEU A 418
THR A 317
ARG A 322
None
None
HEM  A 604 (-3.3A)
HEM  A 604 (-2.4A)
1.13A 1i2wA-6ercA:
undetectable
1i2wA-6ercA:
18.10