SIMILAR PATTERNS OF AMINO ACIDS FOR 4XI3_D_29SD601_1

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.
1ao5 GLANDULAR
KALLIKREIN-13

(Mus musculus) 		PF00089
(Trypsin) 		5 THR A 161
ALA A 183
LEU A 181
LEU A 199
PRO A 130
 None
 1.09A 4xi3D-1ao5A:
undetectable		 4xi3D-1ao5A:
21.15
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 THR A 179
ALA A 567
LEU A 565
TRP A 595
LEU A 574
 None
 0.99A 4xi3D-1g8kA:
undetectable		 4xi3D-1g8kA:
16.12
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.
1kny KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		PF07827
(KNTase_C) 		5 ALA A 172
LEU A 176
LEU A 143
LEU A 208
PRO A 202
 None
 1.13A 4xi3D-1knyA:
undetectable		 4xi3D-1knyA:
17.75
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) 		10 THR A 347
ALA A 350
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
MET A 421
HIS A 524
LEU A 525
 None
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.79A 4xi3D-1pcgA:
32.0		 4xi3D-1pcgA:
97.93
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.
1qh4 CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 THR A 282
ALA A  76
LEU A  88
HIS A  97
LEU A 287
 None
 1.11A 4xi3D-1qh4A:
undetectable		 4xi3D-1qh4A:
20.61
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 THR A 119
ALA A 116
LEU A 128
LEU A 125
PRO A  57
 None
 1.24A 4xi3D-1qvrA:
undetectable		 4xi3D-1qvrA:
15.90
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.
1rii 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		5 THR A  58
ALA A 182
LEU A 187
LEU A 190
LEU A 179
 None
 1.29A 4xi3D-1riiA:
undetectable		 4xi3D-1riiA:
22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
TRP A 376
LEU A 380
ARG A 387
LEU A 507
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 (-4.6A)
 0.84A 4xi3D-1uhlA:
22.8		 4xi3D-1uhlA:
30.92
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.
1vrp CREATINE KINASE, M
CHAIN

(Tetronarce
californica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 THR A 282
ALA A  76
LEU A  88
HIS A  97
LEU A 287
 None
 1.14A 4xi3D-1vrpA:
undetectable		 4xi3D-1vrpA:
22.14
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) 		5 GLU A 331
TRP A 361
LEU A 365
ARG A 372
HIS A 494
 None
 0.79A 4xi3D-1xb7A:
25.4		 4xi3D-1xb7A:
32.55
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
TRP A 279
LEU A 283
ARG A 290
LEU A 410
 9CR  A 201 (-3.6A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 ( 4.8A)
 0.97A 4xi3D-1xiuA:
22.6		 4xi3D-1xiuA:
29.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.7A)
 0.91A 4xi3D-1xlsA:
22.4		 4xi3D-1xlsA:
31.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2arz HYPOTHETICAL PROTEIN
PA4388

(Pseudomonas
aeruginosa) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		5 ALA A  89
GLU A  90
LEU A  88
HIS A  57
LEU A  21
 None
 1.21A 4xi3D-2arzA:
undetectable		 4xi3D-2arzA:
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.
2chp METALLOREGULATION
DNA-BINDING STRESS
PROTEIN

(Bacillus
subtilis) 		PF00210
(Ferritin) 		5 THR A  60
ALA A  57
LEU A  53
LEU A  27
LEU A  26
 None
 1.27A 4xi3D-2chpA:
undetectable		 4xi3D-2chpA:
20.75
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		5 ALA A 376
GLU A 285
LEU A 375
LEU A 287
LEU A  42
 None
 1.27A 4xi3D-2efjA:
undetectable		 4xi3D-2efjA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 THR A 367
ALA A 356
GLU A 357
LEU A 358
PRO A 469
 None
 1.14A 4xi3D-2gahA:
undetectable		 4xi3D-2gahA:
13.58
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 ALA A 272
GLU A 275
TRP A 305
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
None
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.71A 4xi3D-2gpvA:
26.0		 4xi3D-2gpvA:
36.65
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) 		5 GLU A 275
LEU A 276
TRP A 305
ARG A 316
HIS A 434
 OHT  A 500 (-2.6A)
OHT  A 500 (-4.9A)
None
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 1.04A 4xi3D-2gpvA:
26.0		 4xi3D-2gpvA:
36.65
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		5 THR A 151
ALA A 154
MET A  93
HIS A 120
LEU A 118
 None
 1.27A 4xi3D-2irwA:
undetectable		 4xi3D-2irwA:
24.83
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) 		9 THR A 347
ALA A 350
GLU A 353
TRP A 383
LEU A 387
ARG A 394
MET A 421
HIS A 524
LEU A 525
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.98A 4xi3D-2ocfA:
31.4		 4xi3D-2ocfA:
98.77
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) 		9 THR A 347
ALA A 350
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
MET A 421
HIS A 524
 None
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 (-4.2A)
 0.84A 4xi3D-2ocfA:
31.4		 4xi3D-2ocfA:
98.77
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ALA A 164
GLU A 554
LEU A  49
ARG A  47
LEU A   7
 None
 1.21A 4xi3D-2qxlA:
undetectable		 4xi3D-2qxlA:
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 ALA G 192
GLU G 193
LEU G 195
LEU G 173
PRO G 239
 None
 1.30A 4xi3D-2uv8G:
undetectable		 4xi3D-2uv8G:
7.75
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 307
LEU A 281
LEU A 280
MET A 243
LEU A 220
 None
 1.23A 4xi3D-2vbiA:
undetectable		 4xi3D-2vbiA:
18.23
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR A 415
ALA A 416
GLU A 419
ARG A 451
PRO A 176
 None
 1.31A 4xi3D-2vpwA:
undetectable		 4xi3D-2vpwA:
13.76
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 ALA A 283
LEU A 279
LEU A 261
LEU A 259
LEU A  33
 None
 1.27A 4xi3D-2wyxA:
undetectable		 4xi3D-2wyxA:
21.75
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 THR A 364
ALA A 367
GLU A 370
MET A 276
PRO A 487
 None
 1.17A 4xi3D-3ciaA:
undetectable		 4xi3D-3ciaA:
17.57
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A7223 (-4.2A)
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
 0.85A 4xi3D-3dzuA:
22.9		 4xi3D-3dzuA:
19.29
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.
3ez0 UNCHARACTERIZED
PROTEIN WITH
FERRITIN-LIKE FOLD

(Arthrobacter
sp. FB24) 		PF13794
(MiaE_2) 		5 ALA A  23
GLU A  26
LEU A  27
LEU A  62
MET A  70
 None
UNL  A 500 (-3.5A)
None
None
None
 1.19A 4xi3D-3ez0A:
undetectable		 4xi3D-3ez0A:
20.97
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.
3f7c PROTEIN OF UNKNOWN
FUNCTION (DUF416)

(Marinobacter
hydrocarbonoclasticus) 		PF04222
(DUF416) 		5 ALA A  26
GLU A  27
LEU A  23
LEU A  52
LEU A  75
 None
 1.17A 4xi3D-3f7cA:
undetectable		 4xi3D-3f7cA:
20.16
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 THR A 157
ALA A 155
GLU A 154
LEU A 247
ARG A 101
 None
 1.22A 4xi3D-3fd5A:
undetectable		 4xi3D-3fd5A:
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 ALA A 238
LEU A 237
MET A 308
LEU A 191
PRO A 234
 None
 0.97A 4xi3D-3fjyA:
undetectable		 4xi3D-3fjyA:
21.08
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 483
TRP A 268
LEU A 341
LEU A 342
MET A 288
 None
 1.10A 4xi3D-3g4gA:
undetectable		 4xi3D-3g4gA:
20.47
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.
3g5b NETRIN RECEPTOR
UNC5B

(Rattus
norvegicus) 		PF00531
(Death)
PF00791
(ZU5)
PF17217
(UPA) 		5 ALA A 691
TRP A 783
LEU A 746
HIS A 624
LEU A 601
 None
 1.31A 4xi3D-3g5bA:
undetectable		 4xi3D-3g5bA:
21.62
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.
3gcg L0028 (MITOCHONDRIA
ASSOCIATED PROTEIN)

(Escherichia
coli) 		PF03278
(IpaB_EvcA) 		5 THR B 190
ALA B 193
GLU B 196
LEU B 195
LEU B  91
 None
 1.22A 4xi3D-3gcgB:
undetectable		 4xi3D-3gcgB:
20.16
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.
3i0y PUTATIVE POLYKETIDE
CYCLASE

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		5 THR A 122
ALA A  33
GLU A  34
LEU A  29
LEU A  12
 None
 1.02A 4xi3D-3i0yA:
undetectable		 4xi3D-3i0yA:
20.16
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.
3lnt 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Burkholderia
pseudomallei) 		PF00300
(His_Phos_1) 		5 THR A  55
ALA A 181
LEU A 186
LEU A 189
LEU A 178
 None
 1.26A 4xi3D-3lntA:
undetectable		 4xi3D-3lntA:
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.
3mkr COATOMER SUBUNIT
ALPHA
COATOMER SUBUNIT
EPSILON

(Bos taurus) 		PF04733
(Coatomer_E)
PF06957
(COPI_C) 		5 THR A 152
GLU A 147
TRP A 188
LEU B 973
ARG A  58
 None
 1.15A 4xi3D-3mkrA:
undetectable		 4xi3D-3mkrA:
22.65
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.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		5 ALA A  20
TRP A 153
LEU A  49
LEU A  48
LEU A  56
 None
 0.93A 4xi3D-3nrhA:
undetectable		 4xi3D-3nrhA:
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.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		5 GLU B  41
LEU B 281
ARG B 171
MET B  98
LEU B 121
 None
 1.24A 4xi3D-3o3mB:
undetectable		 4xi3D-3o3mB:
20.81
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 391
TRP A 176
LEU A 249
LEU A 250
MET A 196
 None
 1.11A 4xi3D-3o57A:
undetectable		 4xi3D-3o57A:
20.92
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.
3o5a DIHEME CYTOCHROME C
NAPB
PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF03892
(NapB)
PF04879
(Molybdop_Fe4S4) 		5 THR B  10
LEU A 491
ARG A  76
MET A 465
LEU A 774
 None
FMT  B 139 (-4.5A)
None
None
CL  A 816 (-4.0A)
 1.26A 4xi3D-3o5aB:
undetectable		 4xi3D-3o5aB:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 THR L 247
ALA L 251
LEU L 252
LEU L 344
HIS L 453
 None
 1.26A 4xi3D-3rkoL:
undetectable		 4xi3D-3rkoL:
18.30
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 THR A 393
ALA A 396
GLU A 399
LEU A 284
PRO A 408
 None
 1.27A 4xi3D-3s29A:
undetectable		 4xi3D-3s29A:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 317
TRP A 102
LEU A 175
LEU A 176
MET A 122
 ALA  A 317 ( 0.0A)
TRP  A 102 ( 0.5A)
LEU  A 175 ( 0.6A)
LEU  A 176 ( 0.6A)
MET  A 122 ( 0.0A)
 1.15A 4xi3D-3sl5A:
undetectable		 4xi3D-3sl5A:
20.92
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.
3v71 PUF (PUMILIO/FBF)
DOMAIN-CONTAINING
PROTEIN 7, CONFIRMED
BY TRANSCRIPT
EVIDENCE

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 THR A 154
ALA A 153
LEU A 149
LEU A 161
LEU A 162
 None
 1.27A 4xi3D-3v71A:
undetectable		 4xi3D-3v71A:
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.
3wjp HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Thermococcus
kodakarensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 THR A  62
GLU A 141
LEU A  66
HIS A 176
LEU A  76
 QCS  A 338 ( 3.6A)
GOL  A 415 ( 4.5A)
None
None
None
 1.29A 4xi3D-3wjpA:
undetectable		 4xi3D-3wjpA:
23.05
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 5 LEU B 567
LEU B 484
HIS B 468
LEU B 465
PRO B 566
 None
 1.29A 4xi3D-3x17B:
undetectable		 4xi3D-3x17B:
18.20
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 406
ALA A 479
TRP A 463
LEU A 425
PRO A 359
 EDO  A1522 ( 4.1A)
None
None
None
None
 1.10A 4xi3D-4akoA:
undetectable		 4xi3D-4akoA:
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.
4akx EXOU

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		5 THR B 231
ALA B 234
LEU B 236
MET B 138
LEU B 269
 None
 1.14A 4xi3D-4akxB:
undetectable		 4xi3D-4akxB:
16.69
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A  89
GLU A  88
LEU A 160
ARG A  44
LEU A 225
 None
 1.19A 4xi3D-4bubA:
undetectable		 4xi3D-4bubA:
18.96
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.
4dim PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Anaerococcus
prevotii) 		PF01071
(GARS_A) 		5 THR A  74
ALA A  73
LEU A   7
LEU A  69
MET A  52
 None
 1.17A 4xi3D-4dimA:
undetectable		 4xi3D-4dimA:
19.85
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.
4eze HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Salmonella
enterica) 		PF12710
(HAD) 		5 THR A  45
ALA A  40
LEU A  42
LEU A 295
LEU A 286
 None
 1.31A 4xi3D-4ezeA:
undetectable		 4xi3D-4ezeA:
20.25
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.
4fiu HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 THR A 369
ALA A 372
GLU A 375
LEU A 438
LEU A 319
 None
 1.16A 4xi3D-4fiuA:
undetectable		 4xi3D-4fiuA:
18.83
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 ALA A 106
GLU A 109
LEU A 104
LEU A 113
LEU A  17
 GOL  A 301 ( 4.7A)
GOL  A 301 (-3.8A)
None
None
None
 1.27A 4xi3D-4fzwA:
undetectable		 4xi3D-4fzwA:
24.29
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon) 		5 THR B  52
ALA B 166
GLU B 165
LEU B  48
LEU B  70
 None
 1.24A 4xi3D-4gnxB:
undetectable		 4xi3D-4gnxB:
18.82
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.
4h8n CONJUGATED
POLYKETONE REDUCTASE
C2

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 THR A 242
ALA A 236
GLU A 237
LEU A 235
LEU A 220
 None
None
None
None
NDP  A3001 ( 4.2A)
 1.09A 4xi3D-4h8nA:
undetectable		 4xi3D-4h8nA:
20.35
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		5 THR A 176
ALA A 188
LEU A 191
LEU A  89
PRO A 314
 None
 1.22A 4xi3D-4hn9A:
undetectable		 4xi3D-4hn9A:
21.01
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.
4hx6 OXIDOREDUCTASE

(Streptomyces
globisporus) 		PF01613
(Flavin_Reduct) 		5 ALA A  80
GLU A 131
LEU A 130
LEU A 122
LEU A 114
 None
 1.10A 4xi3D-4hx6A:
undetectable		 4xi3D-4hx6A:
20.61
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 THR A 207
ALA A 115
LEU A 116
LEU A  92
PRO A  17
 None
 1.24A 4xi3D-4injA:
undetectable		 4xi3D-4injA:
22.26
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
TRP D 305
LEU D 309
ARG D 316
LEU D 436
 None
 0.91A 4xi3D-4j5xD:
22.7		 4xi3D-4j5xD:
29.14
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  96
GLU A  28
LEU A 158
LEU A 110
PRO A 129
 None
 1.21A 4xi3D-4k9qA:
undetectable		 4xi3D-4k9qA:
20.08
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 THR A 306
ALA A 309
LEU A  67
LEU A  74
MET A 430
 THR  A 306 ( 0.8A)
ALA  A 309 ( 0.0A)
LEU  A  67 ( 0.5A)
LEU  A  74 ( 0.6A)
MET  A 430 ( 0.0A)
 1.28A 4xi3D-4mwtA:
undetectable		 4xi3D-4mwtA:
19.95
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 THR A  41
ALA A  40
TRP A 255
LEU A 210
LEU A 213
 None
 1.31A 4xi3D-4mwzA:
undetectable		 4xi3D-4mwzA:
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 LEU A 177
LEU A 245
LEU A 203
LEU A 236
PRO A 268
 None
 1.22A 4xi3D-4n03A:
undetectable		 4xi3D-4n03A:
21.63
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 ALA A 287
GLU A 290
LEU A 291
TRP A 320
LEU A 324
ARG A 331
 None
 0.71A 4xi3D-4n1yA:
26.7		 4xi3D-4n1yA:
38.40
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) 		5 ALA A 287
GLU A 290
LEU A 324
LEU A 325
LEU A 470
 None
 1.27A 4xi3D-4n1yA:
26.7		 4xi3D-4n1yA:
38.40
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.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		5 LEU A 186
TRP A 259
LEU A  13
MET A  89
LEU A  35
 None
 1.13A 4xi3D-4pfsA:
undetectable		 4xi3D-4pfsA:
23.29
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.
4phq HEMOLYSIN E,
CHROMOSOMAL

(Escherichia
coli) 		PF06109
(HlyE) 		5 THR A  19
ALA A  23
LEU A  24
TRP A  86
LEU A 127
 None
 1.27A 4xi3D-4phqA:
undetectable		 4xi3D-4phqA:
20.50
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 773
TRP A 806
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-3.5A)
None
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.62A 4xi3D-4udbA:
24.2		 4xi3D-4udbA:
28.03
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 563
TRP A 348
LEU A 421
LEU A 422
MET A 368
 None
 1.09A 4xi3D-4wziA:
undetectable		 4xi3D-4wziA:
17.74
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 5 ALA A 303
LEU A 300
LEU A 329
LEU A 328
PRO A 295
 None
 0.93A 4xi3D-4xj6A:
2.5		 4xi3D-4xj6A:
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		no annotation 5 THR G 846
ALA G 794
LEU G 805
LEU G 739
PRO G 619
 None
 1.24A 4xi3D-4xr7G:
undetectable		 4xi3D-4xr7G:
14.69
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU A 406
TRP A 434
LEU A 383
LEU A 417
PRO A 432
 None
 1.31A 4xi3D-4z64A:
undetectable		 4xi3D-4z64A:
16.99
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.
4znj PHAGE TERMINASE
LARGE SUBUNIT

(Thermus virus
P74-26) 		PF03237
(Terminase_6) 		5 ALA A  46
GLU A  50
LEU A 175
ARG A   5
LEU A  37
 None
 1.25A 4xi3D-4znjA:
undetectable		 4xi3D-4znjA:
19.86
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 ALA A 247
TRP A 384
LEU A 380
LEU A 280
PRO A 250
 None
 1.31A 4xi3D-5b2dA:
undetectable		 4xi3D-5b2dA:
18.69
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 THR A 279
ALA A 254
TRP A 384
LEU A 318
LEU A 380
 None
 1.28A 4xi3D-5b2dA:
undetectable		 4xi3D-5b2dA:
18.69
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 THR A 253
LEU A 258
ARG A 558
HIS A 313
LEU A 316
 None
 1.31A 4xi3D-5cj5A:
undetectable		 4xi3D-5cj5A:
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.
5eyt ADENYLOSUCCINATE
LYASE

(Schistosoma
mansoni) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 THR A 105
ALA A 104
LEU A 102
LEU A  40
LEU A  36
 None
 1.30A 4xi3D-5eytA:
undetectable		 4xi3D-5eytA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 THR A 360
ALA A 361
GLU A 506
LEU A 510
ARG A 368
 None
 1.27A 4xi3D-5ez3A:
undetectable		 4xi3D-5ez3A:
16.78
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.
5gkm AT5G51070/K3K7_27

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 THR A 223
ALA A 197
LEU A 115
ARG A  86
LEU A 212
 None
 1.13A 4xi3D-5gkmA:
undetectable		 4xi3D-5gkmA:
21.07
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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		5 THR A 250
ALA A 362
GLU A 363
LEU A 364
ARG A 355
 HEM  A 501 ( 4.8A)
HEM  A 501 (-3.4A)
None
None
None
 1.28A 4xi3D-5h1zA:
undetectable		 4xi3D-5h1zA:
21.24
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.
5hxd PROTEIN MPAA

(Escherichia
coli) 		PF00246
(Peptidase_M14) 		5 ALA A  62
LEU A 231
LEU A 230
LEU A  77
PRO A  14
 None
 1.16A 4xi3D-5hxdA:
undetectable		 4xi3D-5hxdA:
22.79
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A 211
ALA A 214
GLU A 217
ARG A  95
LEU A 195
 None
 0.74A 4xi3D-5iq0A:
undetectable		 4xi3D-5iq0A:
23.67
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 THR A  30
ALA A  53
LEU A 197
LEU A  46
LEU A  43
 None
 1.05A 4xi3D-5lgcA:
undetectable		 4xi3D-5lgcA:
22.76
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 THR A  54
ALA A  53
LEU A 197
LEU A  46
LEU A  43
 None
 1.19A 4xi3D-5lgcA:
undetectable		 4xi3D-5lgcA:
22.76
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.
5ltg AUTOPHAGY-RELATED
PROTEIN 18

(Ogataea angusta) 		no annotation 5 THR A 254
ALA A 253
LEU A 235
LEU A 230
LEU A 258
 None
 1.30A 4xi3D-5ltgA:
undetectable		 4xi3D-5ltgA:
19.85
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.
5mjv CAPSID SUBUNIT VP0
CAPSID SUBUNIT VP1

(Parechovirus A) 		PF00073
(Rhv)
no annotation 		5 THR C 205
GLU C 188
LEU A 210
LEU C 243
LEU A  42
 None
 1.25A 4xi3D-5mjvC:
undetectable		 4xi3D-5mjvC:
20.86
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.
5mlq CDPS

(Nocardia
brasiliensis) 		no annotation 5 GLU A 175
TRP A 184
ARG A  70
HIS A  40
LEU A  32
 None
 1.14A 4xi3D-5mlqA:
undetectable		 4xi3D-5mlqA:
16.18
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.
5nnz DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Homo sapiens) 		no annotation 5 THR B 320
ALA B 319
LEU B 317
LEU B 360
LEU B 361
 None
 1.24A 4xi3D-5nnzB:
undetectable		 4xi3D-5nnzB:
20.64
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 ALA A 563
TRP A 348
LEU A 421
LEU A 422
MET A 368
 None
 1.08A 4xi3D-5ohjA:
undetectable		 4xi3D-5ohjA:
17.70
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.
5tfy FLAGELLIN

(Methanospirillum
hungatei) 		no annotation 5 THR I 121
LEU I 102
TRP I  92
LEU I 138
PRO I 125
 None
 1.27A 4xi3D-5tfyI:
undetectable		 4xi3D-5tfyI:
20.78
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) 		9 THR A 299
ALA A 302
GLU A 305
TRP A 335
LEU A 339
LEU A 343
ARG A 346
HIS A 475
LEU A 476
 None
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.83A 4xi3D-5toaA:
30.0		 4xi3D-5toaA:
59.35
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.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 THR A 135
ALA A 363
LEU A 369
LEU A 296
PRO A  72
 None
 1.20A 4xi3D-5tvjA:
undetectable		 4xi3D-5tvjA:
20.09
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 THR A 367
ALA A 366
LEU A 406
LEU A 403
MET A 356
 None
 1.22A 4xi3D-5uldA:
undetectable		 4xi3D-5uldA:
19.41
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.
5wbf METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER (TLPC)

(Helicobacter
pylori) 		no annotation 5 ALA A 117
LEU A 102
LEU A  94
LEU A  95
LEU A  70
 None
 0.96A 4xi3D-5wbfA:
undetectable		 4xi3D-5wbfA:
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 ALA A 317
TRP A 102
LEU A 175
LEU A 176
MET A 122
 None
 1.12A 4xi3D-5wh6A:
undetectable		 4xi3D-5wh6A:
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.
5whz ANTI-HIV CODV-FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 THR H 214
ALA H 215
LEU H 217
LEU H 170
LEU H 140
 None
 1.25A 4xi3D-5whzH:
undetectable		 4xi3D-5whzH:
22.37
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 5 THR A 202
ALA A 263
LEU A 245
HIS A 224
LEU A 228
 None
 1.30A 4xi3D-6b2wA:
undetectable		 4xi3D-6b2wA:
18.75
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Deinococcus
radiodurans;
Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 427
LEU A 395
LEU A 392
ARG A 371
LEU A 408
 None
 1.30A 4xi3D-6fhtA:
undetectable		 4xi3D-6fhtA:
21.67