SIMILAR PATTERNS OF AMINO ACIDS FOR 3TM4_B_SAMB401_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1crl LIPASE

(Diutina rugosa)
PF00135
(COesterase)
5 ALA A 175
LEU A 164
GLY A 178
ALA A 210
PRO A 308
None
1.14A 3tm4B-1crlA:
undetectable
3tm4B-1crlA:
20.26
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE


(Thermus
thermophilus)
PF00115
(COX1)
5 ALA A 367
LEU A 371
GLY A 362
HIS A 384
LEU A 310
HAS  A 801 (-3.4A)
None
None
HAS  A 801 (-4.4A)
HAS  A 801 (-4.0A)
1.22A 3tm4B-1ehkA:
undetectable
3tm4B-1ehkA:
21.89
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.
1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE


(Escherichia
virus Lambda)
PF00149
(Metallophos)
5 ALA A 205
GLY A  23
HIS A  22
ASN A  27
LEU A  44
None
None
MN  A1006 (-3.4A)
None
None
1.17A 3tm4B-1g5bA:
undetectable
3tm4B-1g5bA:
20.05
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus)
PF01368
(DHH)
PF02272
(DHHA1)
5 ALA A 254
LEU A 250
GLY A 301
HIS A 304
ALA A 275
None
1.25A 3tm4B-1ir6A:
2.6
3tm4B-1ir6A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui)
PF00141
(peroxidase)
5 GLY A 583
TYR A 628
ALA A 469
ASN A 603
PRO A 579
CL  A2004 (-4.1A)
None
None
CL  A2004 (-4.1A)
None
1.07A 3tm4B-1itkA:
undetectable
3tm4B-1itkA:
19.51
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2


(Synechocystis
sp. PCC 6803)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
5 ALA A1122
LEU A1193
GLY A1198
HIS A1088
LEU A 846
None
1.31A 3tm4B-1ofeA:
5.0
3tm4B-1ofeA:
14.76
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)


(Aspergillus
niger)
PF00328
(His_Phos_2)
5 ALA A 250
LEU A 248
MET A 243
TYR A 111
LEU A  80
None
1.17A 3tm4B-1qfxA:
undetectable
3tm4B-1qfxA:
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN


(Escherichia
coli)
PF00398
(RrnaAD)
5 LEU A  20
GLY A  47
ALA A  92
ASN A 113
PRO A 115
None
0.90A 3tm4B-1qyrA:
14.2
3tm4B-1qyrA:
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.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
5 ALA A 236
LEU A 232
GLY A 133
ALA A 102
LEU A 156
None
1.32A 3tm4B-1r6mA:
undetectable
3tm4B-1r6mA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1scj SUBTILISIN E
SUBTILISIN E


(Bacillus
subtilis;
Bacillus
subtilis)
PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9)
5 ALA A 176
GLY A 154
ALA B 374
PRO A 168
LEU A 135
CA  A 382 (-3.8A)
None
None
None
None
1.32A 3tm4B-1scjA:
undetectable
3tm4B-1scjA:
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.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE


(Escherichia
coli)
PF00202
(Aminotran_3)
5 LEU A 403
GLY A  56
HIS A  57
ALA A 307
ASN A  54
None
None
EDO  A1223 (-3.9A)
None
None
1.01A 3tm4B-1szsA:
3.2
3tm4B-1szsA:
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens)
PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg)
5 ALA A  63
LEU A 263
GLY A 174
TYR A 270
LEU A 276
None
0.99A 3tm4B-1uwyA:
undetectable
3tm4B-1uwyA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331


(Bacillus
halodurans)
PF08241
(Methyltransf_11)
5 ALA A  59
HIS A  89
GLY A  54
HIS A  55
ALA A 117
None
1.24A 3tm4B-1vl5A:
11.1
3tm4B-1vl5A:
22.98
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.
1wyd HYPOTHETICAL
ASPARTYL-TRNA
SYNTHETASE


(Sulfurisphaera
tokodaii)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
5 LEU A 261
MET A 407
GLY A 410
PRO A 269
LEU A 316
None
0.93A 3tm4B-1wydA:
undetectable
3tm4B-1wydA:
23.84
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN


(Thermus
thermophilus)
PF00291
(PALP)
5 ALA A 378
HIS A 377
GLY A 278
ALA A 267
ASN A 258
None
1.28A 3tm4B-1x1qA:
undetectable
3tm4B-1x1qA:
24.21
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ALA A 256
LEU A 261
GLY A 254
ALA A  81
ASN A 262
None
1.32A 3tm4B-1yfmA:
undetectable
3tm4B-1yfmA:
22.62
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.
1zel HYPOTHETICAL PROTEIN
RV2827C


(Mycobacterium
tuberculosis)
PF09407
(AbiEi_1)
PF13338
(AbiEi_4)
5 ALA A 106
HIS A 109
GLY A 111
ALA A 209
PRO A 180
None
None
None
NA  A 401 ( 4.2A)
None
1.25A 3tm4B-1zelA:
undetectable
3tm4B-1zelA:
21.78
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Desulfovibrio
africanus)
PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II)
5 ALA A1106
MET A1030
GLY A1033
TYR A1036
ALA A1026
None
1.19A 3tm4B-2c3oA:
3.0
3tm4B-2c3oA:
15.92
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1


(Homo sapiens)
PF02902
(Peptidase_C48)
5 MET A 475
HIS A 491
ASN A 472
PRO A 527
LEU A 536
None
1.23A 3tm4B-2ckhA:
undetectable
3tm4B-2ckhA:
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.
2d3i OVOTRANSFERRIN

(Gallus gallus)
PF00405
(Transferrin)
5 ALA A 538
HIS A 455
GLY A 526
ALA A 555
LEU A 561
None
1.22A 3tm4B-2d3iA:
2.5
3tm4B-2d3iA:
19.69
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.
2d3t 3-KETOACYL-COA
THIOLASE


(Pseudomonas
fragi)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 ALA C 277
GLY C 381
ALA C 314
PRO C 288
LEU C 311
None
None
ACO  C1003 (-3.4A)
None
None
1.30A 3tm4B-2d3tC:
undetectable
3tm4B-2d3tC:
23.04
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.
2dqw DIHYDROPTEROATE
SYNTHASE


(Thermus
thermophilus)
PF00809
(Pterin_bind)
5 ALA A 124
LEU A  19
HIS A 145
ALA A 186
LEU A 133
None
1.09A 3tm4B-2dqwA:
undetectable
3tm4B-2dqwA:
23.04
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.
2dqw DIHYDROPTEROATE
SYNTHASE


(Thermus
thermophilus)
PF00809
(Pterin_bind)
5 LEU A  19
GLY A 146
HIS A 145
ALA A 186
LEU A 133
None
1.14A 3tm4B-2dqwA:
undetectable
3tm4B-2dqwA:
23.04
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.
2f1k PREPHENATE
DEHYDROGENASE


(Synechocystis
sp. PCC 6803)
PF02153
(PDH)
5 LEU A 164
GLY A 111
HIS A 112
ALA A 101
PRO A 167
None
None
OMT  A 114 ( 3.9A)
None
None
1.32A 3tm4B-2f1kA:
6.7
3tm4B-2f1kA:
23.47
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.
2hwt PUTATIVE
REPLICASE-ASSOCIATED
PROTEIN


(Faba bean
necrotic
yellows virus)
PF02407
(Viral_Rep)
5 ALA A  64
HIS A  65
TYR A  30
ASN A  13
PRO A  15
None
0.94A 3tm4B-2hwtA:
2.5
3tm4B-2hwtA:
14.50
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.
2jjp CYTOCHROME P450
113A1


(Saccharopolyspora
erythraea)
PF00067
(p450)
5 ALA A 149
LEU A 151
GLY A 242
HIS A 243
LEU A 125
None
1.12A 3tm4B-2jjpA:
undetectable
3tm4B-2jjpA:
25.22
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY


(Enterococcus
faecalis)
PF04198
(Sugar-bind)
5 HIS A 170
MET A 195
GLY A 201
ALA A 158
LEU A 131
None
1.31A 3tm4B-2o0mA:
undetectable
3tm4B-2o0mA:
24.62
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.
2odp COMPLEMENT C2

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
5 ALA A 475
HIS A 461
MET A 553
LYS A 550
PRO A 559
None
1.26A 3tm4B-2odpA:
undetectable
3tm4B-2odpA:
23.17
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE


(Escherichia
coli)
PF01979
(Amidohydro_1)
5 ALA A 178
GLY A 210
ALA A 214
PRO A 173
LEU A 231
None
1.17A 3tm4B-2p50A:
undetectable
3tm4B-2p50A:
24.11
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides)
PF02614
(UxaC)
5 LEU A 319
GLY A 327
TYR A  66
ASN A 313
LEU A 360
None
1.20A 3tm4B-2q01A:
undetectable
3tm4B-2q01A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Arabidopsis
thaliana)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
5 HIS A  41
MET A 343
GLY A 345
ALA A 155
ASN A 341
None
1.17A 3tm4B-2q49A:
3.1
3tm4B-2q49A:
23.20
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.
2qdd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Roseovarius
nubinhibens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 309
HIS A 306
LEU A 307
GLY A 126
PRO A 312
None
1.25A 3tm4B-2qddA:
2.2
3tm4B-2qddA:
21.98
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans)
PF14498
(Glyco_hyd_65N_2)
5 ALA A 674
HIS A 675
GLY A 682
TYR A 335
LEU A 328
None
1.30A 3tm4B-2rdyA:
undetectable
3tm4B-2rdyA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rkq PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-SD


(Drosophila
melanogaster)
PF01510
(Amidase_2)
5 ALA A  41
HIS A  42
LEU A 163
GLY A 149
LEU A 141
None
1.24A 3tm4B-2rkqA:
undetectable
3tm4B-2rkqA:
16.80
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.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei)
PF00303
(Thymidylat_synt)
5 ALA A 258
HIS A 259
LEU A 260
GLY A  17
HIS A  18
None
UFP  A 529 (-4.1A)
None
None
None
1.29A 3tm4B-2tddA:
undetectable
3tm4B-2tddA:
24.80
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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus)
PF05711
(TylF)
5 HIS A 144
LEU A 143
GLY A 126
ALA A 121
LEU A 182
SO4  A 401 (-4.0A)
None
SAH  A 301 (-3.0A)
None
None
1.14A 3tm4B-2wk1A:
12.0
3tm4B-2wk1A:
22.81
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME


(Rattus
norvegicus)
PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
5 LEU A 508
TYR A 581
HIS A 589
ALA A 524
LEU A 526
None
1.29A 3tm4B-2x58A:
4.3
3tm4B-2x58A:
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE


(Escherichia
coli;
[Clostridium]
symbiosum)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
5 ALA A 343
LEU A 425
GLY A 368
ALA A 377
LEU A 401
None
1.20A 3tm4B-2yfhA:
4.8
3tm4B-2yfhA:
23.89
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
5 GLY A 209
HIS A 206
ASN A 214
PRO A 239
LEU A 163
None
1.30A 3tm4B-2z8zA:
undetectable
3tm4B-2z8zA:
20.78
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.
3gju PUTATIVE
AMINOTRANSFERASE


(Mesorhizobium
japonicum)
PF00202
(Aminotran_3)
5 ALA A  57
LEU A 434
GLY A  65
ALA A 336
ASN A  63
None
1.30A 3tm4B-3gjuA:
2.2
3tm4B-3gjuA:
21.64
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.
3gry DIMETHYLADENOSINE
TRANSFERASE


(Methanocaldococcus
jannaschii)
PF00398
(RrnaAD)
5 LEU A  13
GLY A  40
ALA A  85
ASN A 101
PRO A 103
SAM  A 300 (-4.0A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
1.15A 3tm4B-3gryA:
15.7
3tm4B-3gryA:
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.
3iha SALT-TOLERANT
GLUTAMINASE


(Micrococcus
luteus)
PF04960
(Glutaminase)
5 ALA A  73
LEU A  75
ALA A 268
PRO A  68
LEU A 266
None
1.18A 3tm4B-3ihaA:
undetectable
3tm4B-3ihaA:
22.43
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile)
PF01170
(UPF0020)
PF02926
(THUMP)
5 ALA A 174
GLY A 202
ALA A 290
ASN A 305
LEU A 321
GTP  A 383 (-4.7A)
GTP  A 383 (-2.6A)
GTP  A 383 (-3.7A)
GTP  A 383 (-4.2A)
None
0.88A 3tm4B-3lduA:
33.3
3tm4B-3lduA:
28.71
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile)
PF01170
(UPF0020)
PF02926
(THUMP)
6 MET A 200
GLY A 202
ALA A 290
ASN A 305
PRO A 307
LEU A 321
GTP  A 383 (-4.5A)
GTP  A 383 (-2.6A)
GTP  A 383 (-3.7A)
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
None
0.62A 3tm4B-3lduA:
33.3
3tm4B-3lduA:
28.71
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.
3msy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(marine
actinobacterium
PHSC20C1)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 329
HIS A 326
LEU A 327
GLY A 146
PRO A 332
None
1.32A 3tm4B-3msyA:
undetectable
3tm4B-3msyA:
22.14
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
5 LEU A 686
GLY A 481
TYR A 483
ALA A 533
LEU A 559
None
None
ZPR  A 702 (-4.8A)
None
None
1.24A 3tm4B-3muoA:
undetectable
3tm4B-3muoA:
20.31
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.
3nf4 ACYL-COA
DEHYDROGENASE


(Mycolicibacterium
thermoresistibile)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 ALA A 210
HIS A 209
LEU A 208
ALA A  27
LEU A  52
None
1.07A 3tm4B-3nf4A:
undetectable
3tm4B-3nf4A:
23.35
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.
3ruy ORNITHINE
AMINOTRANSFERASE


(Bacillus
anthracis)
PF00202
(Aminotran_3)
5 HIS A 367
GLY A 197
ALA A 240
PRO A 204
LEU A 209
None
1.09A 3tm4B-3ruyA:
2.1
3tm4B-3ruyA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tm5 CRYSTAL STRUCTURE OF
TRM14


(Pyrococcus
furiosus)
PF01170
(UPF0020)
PF02926
(THUMP)
12 ALA A 200
HIS A 201
LEU A 202
MET A 225
GLY A 227
LYS A 249
TYR A 250
HIS A 253
ALA A 277
ASN A 293
PRO A 295
LEU A 309
SFG  A 401 (-3.9A)
None
SFG  A 401 (-4.5A)
SFG  A 401 (-3.9A)
SFG  A 401 ( 3.7A)
SFG  A 401 (-4.9A)
SFG  A 401 (-4.5A)
SFG  A 401 (-3.9A)
SFG  A 401 (-3.1A)
SFG  A 401 (-4.4A)
SFG  A 401 ( 4.4A)
None
0.24A 3tm4B-3tm5A:
55.1
3tm4B-3tm5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tma METHYLTRANSFERASE

(Thermus
thermophilus)
PF01170
(UPF0020)
PF02926
(THUMP)
5 LEU A 168
GLY A 194
ALA A 244
PRO A 262
LEU A 276
None
0.78A 3tm4B-3tmaA:
34.8
3tm4B-3tmaA:
30.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tma METHYLTRANSFERASE

(Thermus
thermophilus)
PF01170
(UPF0020)
PF02926
(THUMP)
5 LEU A 168
GLY A 194
ASN A 260
PRO A 262
LEU A 276
None
0.89A 3tm4B-3tmaA:
34.8
3tm4B-3tmaA:
30.97
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.
3u3z MICROCEPHALIN

(Homo sapiens)
PF00533
(BRCT)
PF16589
(BRCT_2)
5 LEU A 695
GLY A 700
TYR A 751
ALA A 736
LEU A 755
None
1.32A 3tm4B-3u3zA:
undetectable
3tm4B-3u3zA:
19.62
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L


(Escherichia
coli)
PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM)
5 MET A 197
GLY A 199
ASN A 309
PRO A 311
LEU A 325
SAM  A 801 (-4.5A)
SAM  A 801 (-3.2A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
SAM  A 801 ( 4.8A)
0.52A 3tm4B-3v8vA:
31.2
3tm4B-3v8vA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vss BETA-FRUCTOFURANOSID
ASE


(Microbacterium
saccharophilum)
PF02435
(Glyco_hydro_68)
5 HIS A 453
GLY A 430
ALA A 504
ASN A  85
PRO A  88
None
1.25A 3tm4B-3vssA:
undetectable
3tm4B-3vssA:
20.63
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE


(Acinetobacter
baumannii)
PF00132
(Hexapep)
PF13720
(Acetyltransf_11)
5 ALA A 186
GLY A 195
ALA A 217
PRO A 181
LEU A 253
None
1.03A 3tm4B-4e6uA:
undetectable
3tm4B-4e6uA:
20.37
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.
4exj UNCHARACTERIZED
PROTEIN


(Lodderomyces
elongisporus)
PF00043
(GST_C)
PF13417
(GST_N_3)
5 ALA A 165
LEU A 167
GLY A  10
PRO A  15
LEU A   4
None
None
SO4  A 302 (-3.7A)
None
None
1.06A 3tm4B-4exjA:
undetectable
3tm4B-4exjA:
23.92
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.
4fsf PENICILLIN-BINDING
PROTEIN 3


(Pseudomonas
aeruginosa)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
5 LEU A 405
GLY A 293
ALA A 508
PRO A 298
LEU A 461
None
0W0  A 601 ( 3.7A)
None
None
None
1.04A 3tm4B-4fsfA:
undetectable
3tm4B-4fsfA:
21.14
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL


(Mus musculus)
PF00398
(RrnaAD)
5 LEU A  38
GLY A  65
LYS A  86
ASN A 141
PRO A 143
None
None
None
None
ACT  A 402 ( 4.9A)
0.96A 3tm4B-4gc5A:
14.1
3tm4B-4gc5A:
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.
4hrw CYTIDINE AND
DEOXYCYTIDYLATE
DEAMINASE
ZINC-BINDING REGION


(Nitrosomonas
europaea)
PF00383
(dCMP_cyt_deam_1)
5 HIS A  77
ALA A 131
ASN A  40
PRO A  47
LEU A 174
ZN  A 201 (-3.2A)
None
None
None
None
1.30A 3tm4B-4hrwA:
undetectable
3tm4B-4hrwA:
20.60
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya)
PF03576
(Peptidase_S58)
5 ALA A 278
GLY A 192
HIS A 389
ALA A 375
ASN A 281
None
1.16A 3tm4B-4iheA:
undetectable
3tm4B-4iheA:
21.57
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.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)


(Pyrobaculum
aerophilum)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
6 ALA A 314
LEU A 318
GLY A  37
LYS A 140
TYR A  35
ALA A 300
None
1.39A 3tm4B-4jbhA:
8.9
3tm4B-4jbhA:
22.88
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.
4jyk HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RUTR


(Escherichia
coli)
PF00440
(TetR_N)
PF08362
(TetR_C_3)
5 ALA A 168
HIS A 172
MET A 119
ALA A 123
LEU A 130
None
1.27A 3tm4B-4jykA:
2.3
3tm4B-4jykA:
21.57
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism)
PF04616
(Glyco_hydro_43)
5 LEU A  71
GLY A  68
HIS A  67
PRO A  29
LEU A 303
None
1.13A 3tm4B-4mlgA:
undetectable
3tm4B-4mlgA:
19.74
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.
4nle ADENYLOSUCCINATE
LYASE


(Mycolicibacterium
smegmatis)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
5 ALA A 263
HIS A 265
LEU A 261
TYR A 139
LEU A 349
None
1.30A 3tm4B-4nleA:
undetectable
3tm4B-4nleA:
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.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE


(Homo sapiens)
PF01112
(Asparaginase_2)
5 LEU A 166
GLY A   9
HIS A   8
ALA A  54
ASN A  62
None
1.24A 3tm4B-4o0eA:
undetectable
3tm4B-4o0eA:
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE


(Campylobacter
jejuni)
PF01053
(Cys_Met_Meta_PP)
5 ALA A 159
GLY A 395
ALA A 379
ASN A 316
PRO A 156
None
1.27A 3tm4B-4oc9A:
3.3
3tm4B-4oc9A:
22.69
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.
4pl0 MICROCIN-J25 EXPORT
ATP-BINDING/PERMEASE
PROTEIN MCJD


(Escherichia
coli)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
5 GLY A 484
TYR A 481
ALA A 492
ASN A 515
LEU A 455
None
1.28A 3tm4B-4pl0A:
2.1
3tm4B-4pl0A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Ochrobactrum
anthropi)
PF01547
(SBP_bac_1)
5 ALA A 379
LEU A  95
GLY A 376
ALA A 368
ASN A 303
None
GLC  A 501 (-4.8A)
None
None
GLC  A 501 (-3.9A)
1.19A 3tm4B-4r2bA:
undetectable
3tm4B-4r2bA:
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Arthrobacter
sp. FB24)
PF13377
(Peripla_BP_3)
5 ALA A 118
HIS A 121
GLY A  74
ALA A 308
LEU A 152
None
1.20A 3tm4B-4rkrA:
2.2
3tm4B-4rkrA:
24.10
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.
4rv4 OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Bacillus
anthracis)
PF00156
(Pribosyltran)
5 ALA A  74
HIS A  78
GLY A  70
LYS A 105
ALA A 135
PRP  A 301 (-3.3A)
None
None
None
None
1.12A 3tm4B-4rv4A:
undetectable
3tm4B-4rv4A:
19.74
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.
4rx4 HIV-1 CLADE A
Q842.D12 GP120


(Human
immunodeficiency
virus 1)
no annotation 5 GLY G 250
TYR G 217
ALA G  70
PRO G 253
LEU G 111
EDO  G 510 ( 4.3A)
None
None
None
None
0.98A 3tm4B-4rx4G:
undetectable
3tm4B-4rx4G:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2


(Homo sapiens)
PF00351
(Biopterin_H)
5 LEU A 148
GLY A 345
ALA A 292
PRO A 155
LEU A 161
None
0.99A 3tm4B-4v06A:
undetectable
3tm4B-4v06A:
22.06
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.
4ye4 HT593.1 GP120

(Human
immunodeficiency
virus)
PF00516
(GP120)
5 GLY G 250
TYR G 217
ALA G  70
PRO G 253
LEU G 111
None
1.01A 3tm4B-4ye4G:
undetectable
3tm4B-4ye4G:
22.40
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE


(Rhizomucor
miehei)
PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3)
5 ALA A 115
LEU A 122
ASN A 130
PRO A 133
LEU A 135
None
1.20A 3tm4B-4zm6A:
undetectable
3tm4B-4zm6A:
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE


(Rhizomucor
miehei)
PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3)
5 GLY A 168
ALA A 216
ASN A 130
PRO A 133
LEU A 135
None
1.18A 3tm4B-4zm6A:
undetectable
3tm4B-4zm6A:
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.
5aek SENTRIN-SPECIFIC
PROTEASE 2


(Homo sapiens)
PF02902
(Peptidase_C48)
5 MET A 420
HIS A 436
ASN A 417
PRO A 472
LEU A 481
None
1.31A 3tm4B-5aekA:
undetectable
3tm4B-5aekA:
20.78
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.
5alc ANTI-TICAGRELOR FAB
72, HEAVY CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
5 HIS H  97
LEU H  98
GLY H  95
HIS H  35
PRO H  52
None
1.16A 3tm4B-5alcH:
undetectable
3tm4B-5alcH:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bul FLAVIN-DEPENDENT
HALOGENASE TRIPLE
MUTANT


(Streptomyces)
PF04820
(Trp_halogenase)
5 ALA A 156
MET A 308
GLY A 311
ALA A  53
PRO A  16
None
None
None
None
FAD  A 501 (-3.3A)
1.25A 3tm4B-5bulA:
4.1
3tm4B-5bulA:
23.43
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.
5by8 RPF2
RRS1


(Aspergillus
nidulans;
Aspergillus
nidulans)
PF04427
(Brix)
PF04939
(RRS1)
5 HIS A 218
LEU A 220
ALA A 188
ASN B  69
LEU A 147
None
1.29A 3tm4B-5by8A:
undetectable
3tm4B-5by8A:
22.67
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 ALA A 290
GLY A 394
ALA A 327
PRO A 301
LEU A 324
None
1.19A 3tm4B-5bz4A:
2.2
3tm4B-5bz4A:
22.20
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.
5cwu NUCLEOPORIN NUP188

(Chaetomium
thermophilum)
no annotation 5 HIS A1649
LEU A1650
HIS A1640
ALA A1633
LEU A1555
None
1.29A 3tm4B-5cwuA:
undetectable
3tm4B-5cwuA:
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum)
PF00463
(ICL)
5 ALA A 142
LEU A 144
GLY A 137
HIS A 138
ALA A 176
None
1.23A 3tm4B-5e9hA:
undetectable
3tm4B-5e9hA:
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.
5h7k ELONGATION FACTOR 2

(Pyrococcus
horikoshii)
no annotation 5 ALA A  31
HIS A  32
GLY A 100
ALA A  77
LEU A  95
GDP  A 501 ( 4.2A)
None
None
None
None
1.18A 3tm4B-5h7kA:
2.8
3tm4B-5h7kA:
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.
5hnz PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL,PLUS-E
ND DIRECTED
KINESIN-1/KINESIN-14
,PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL


(Drosophila
melanogaster;
Rattus
norvegicus)
PF00225
(Kinesin)
5 HIS K 116
LEU K 115
HIS K 129
ALA K  82
LEU K 243
None
1.17A 3tm4B-5hnzK:
undetectable
3tm4B-5hnzK:
21.78
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.
5hqw PUTATIVE POLYKETIDE
SYNTHASE


(Brevibacillus
brevis)
PF14765
(PS-DH)
5 ALA A2259
LEU A2414
TYR A2378
HIS A2382
ALA A2425
None
1.02A 3tm4B-5hqwA:
undetectable
3tm4B-5hqwA:
24.26
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.
5kqw 4-AMINOBUTYRATE
TRANSAMINASE


(Pseudomonas)
PF00202
(Aminotran_3)
5 ALA A  56
LEU A 433
GLY A  64
ALA A 335
ASN A  62
None
1.23A 3tm4B-5kqwA:
undetectable
3tm4B-5kqwA:
21.18
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.
5kr6 4-AMINOBUTYRATE
TRANSAMINASE


(Pseudomonas)
PF00202
(Aminotran_3)
5 ALA A  56
LEU A 433
GLY A  64
ALA A 335
ASN A  62
None
1.25A 3tm4B-5kr6A:
2.0
3tm4B-5kr6A:
23.37
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.)
PF00202
(Aminotran_3)
5 LEU A 427
GLY A  59
HIS A  60
ALA A 331
ASN A  57
None
1.14A 3tm4B-5lh9A:
2.4
3tm4B-5lh9A:
22.36
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.
5ly6 PNEUMOLYSIN

(Streptococcus
pneumoniae)
PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C)
5 ALA B  91
LEU B  89
GLY B  73
ALA B 126
PRO B 118
None
1.28A 3tm4B-5ly6B:
undetectable
3tm4B-5ly6B:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5neu INTEGRIN ALPHA-V

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
5 ALA A 361
LEU A 391
GLY A 371
TYR A 364
ALA A 397
None
1.33A 3tm4B-5neuA:
undetectable
3tm4B-5neuA:
20.77
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata)
no annotation 5 ALA A 206
LEU A 176
HIS A 211
ALA A 236
LEU A 221
None
1.32A 3tm4B-5nnbA:
undetectable
3tm4B-5nnbA:
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.
5ofu FBP PROTEIN

(Leishmania
major)
PF00316
(FBPase)
5 ALA A 171
LEU A 192
GLY A 174
ALA A  49
LEU A  73
None
1.25A 3tm4B-5ofuA:
undetectable
3tm4B-5ofuA:
23.46
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A


(Haemophilus
influenzae)
PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB)
5 LEU A 547
GLY A 451
ALA A 741
PRO A 456
LEU A 697
None
0.97A 3tm4B-5u2gA:
undetectable
3tm4B-5u2gA:
20.21
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.
5wya ISOLEUCINE
2-EPIMERASE


(Lactobacillus
buchneri)
PF00202
(Aminotran_3)
5 ALA A  52
LEU A 413
GLY A  60
ALA A 319
ASN A  58
None
1.15A 3tm4B-5wyaA:
2.5
3tm4B-5wyaA:
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.
5wya ISOLEUCINE
2-EPIMERASE


(Lactobacillus
buchneri)
PF00202
(Aminotran_3)
5 LEU A 413
GLY A  60
HIS A  61
ALA A 319
ASN A  58
None
1.01A 3tm4B-5wyaA:
2.5
3tm4B-5wyaA:
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.
5xtc NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2


(Homo sapiens)
no annotation 5 GLY i 107
TYR i  59
ALA i  66
PRO i 138
LEU i  33
None
1.27A 3tm4B-5xtci:
undetectable
3tm4B-5xtci:
19.63
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.
5xvi GLUTAMATE
DEHYDROGENASE


(Aspergillus
niger)
no annotation 5 ALA A 342
LEU A 437
GLY A 375
ALA A 384
LEU A 408
None
1.21A 3tm4B-5xviA:
undetectable
3tm4B-5xviA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus)
no annotation 5 HIS A 274
LEU A 273
GLY A 236
HIS A 276
LEU A 307
SO4  A 917 (-3.9A)
None
None
None
None
1.15A 3tm4B-5zlnA:
undetectable
3tm4B-5zlnA:
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans)
no annotation 5 ALA A 276
MET A 310
GLY A 270
ALA A  40
LEU A  75
None
1.24A 3tm4B-6cw5A:
4.0
3tm4B-6cw5A:
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2


(Mus musculus)
no annotation 5 LEU N 191
GLY N 107
ALA N  66
PRO N 138
LEU N  33
None
1.24A 3tm4B-6g72N:
undetectable
3tm4B-6g72N:
undetectable