SIMILAR PATTERNS OF AMINO ACIDS FOR 2A1M_A_CAMA1422

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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		4 TYR A 284
THR A 313
GLY A 309
THR A 307
 None
None
CA  A 802 (-4.3A)
None
 0.90A 2a1mA-1cvmA:
0.0		 2a1mA-1cvmA:
21.97
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.
1dj0 PSEUDOURIDINE
SYNTHASE I

(Escherichia
coli) 		PF01416
(PseudoU_synth_1) 		4 TYR A 120
THR A 137
VAL A  63
GLY A  62
 None
 0.90A 2a1mA-1dj0A:
undetectable		 2a1mA-1dj0A:
20.65
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		4 TYR M  38
THR M  55
GLY M 468
ASP M  70
 None
None
None
ZN  M 923 (-2.2A)
 0.90A 2a1mA-1dwaM:
0.0		 2a1mA-1dwaM:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 PHE B 110
THR B  77
GLY B 471
THR B 376
 H2S  B 904 (-3.5A)
FNE  B 543 ( 4.4A)
None
None
 0.91A 2a1mA-1e3dB:
undetectable		 2a1mA-1e3dB:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 TYR B 189
THR B   6
VAL B 524
THR B 529
 None
 0.94A 2a1mA-1e3dB:
undetectable		 2a1mA-1e3dB:
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 PHE A 209
TYR A 289
GLY A 236
THR A 233
 None
 0.96A 2a1mA-1ileA:
0.0		 2a1mA-1ileA:
19.28
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 PHE A  75
THR A  53
VAL A  63
GLY A  62
 EDO  A2028 ( 4.7A)
EDO  A2028 (-3.1A)
None
None
 0.96A 2a1mA-1juhA:
0.0		 2a1mA-1juhA:
20.71
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 TYR A 561
THR A 559
VAL A 520
GLY A 519
THR A 552
 None
None
None
None
GOL  A1823 (-4.3A)
 1.38A 2a1mA-1kb0A:
undetectable		 2a1mA-1kb0A:
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.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 THR A 124
VAL A 241
GLY A 240
ASP A 312
 None
None
None
ZN  A 700 ( 2.4A)
 0.89A 2a1mA-1kfiA:
0.0		 2a1mA-1kfiA:
22.03
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 THR A 449
VAL A 425
GLY A 426
ASP A 281
 PLP  A1400 (-3.2A)
None
None
None
 0.97A 2a1mA-1kl7A:
0.0		 2a1mA-1kl7A:
21.23
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 THR A 421
VAL A 411
GLY A 412
THR A 500
 None
 0.68A 2a1mA-1l5jA:
undetectable		 2a1mA-1l5jA:
18.28
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.
1lar PROTEIN (LAR)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A1355
VAL A1526
GLY A1527
THR A1567
 None
 0.82A 2a1mA-1larA:
undetectable		 2a1mA-1larA:
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 THR A 531
VAL A 557
GLY A 555
THR A 384
 None
 0.95A 2a1mA-1m1cA:
undetectable		 2a1mA-1m1cA:
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE B 310
THR B 377
GLY B 374
ASP B 313
 None
 0.90A 2a1mA-1n60B:
undetectable		 2a1mA-1n60B:
18.35
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE B 390
VAL B 275
GLY B 276
ASP B 347
 None
 0.97A 2a1mA-1n60B:
undetectable		 2a1mA-1n60B:
18.35
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.
1qyi HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF13242
(Hydrolase_like) 		4 PHE A 249
THR A 238
VAL A  11
GLY A  10
 None
 0.92A 2a1mA-1qyiA:
undetectable		 2a1mA-1qyiA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)

(Rhinovirus A;
Rhinovirus A) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 TYR 1 200
THR 2 147
THR 1 265
ASP 1 198
 None
 0.86A 2a1mA-1r1a1:
undetectable		 2a1mA-1r1a1:
21.40
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		4 VAL A  19
GLY A  20
THR A  23
ASP A  53
 None
 0.91A 2a1mA-1rrmA:
undetectable		 2a1mA-1rrmA:
23.14
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.
1t70 PHOSPHATASE

(Deinococcus
radiodurans) 		PF13277
(YmdB) 		4 PHE A 144
THR A 172
VAL A 235
GLY A 234
 None
 0.91A 2a1mA-1t70A:
undetectable		 2a1mA-1t70A:
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.
1ue0 ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		4 PHE A 209
TYR A 289
GLY A 236
THR A 233
 None
None
None
VAL  A 400 (-3.6A)
 0.93A 2a1mA-1ue0A:
undetectable		 2a1mA-1ue0A:
19.80
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 THR A 448
VAL A 466
GLY A 441
THR A 393
 None
None
TPP  A1602 (-3.6A)
None
 0.96A 2a1mA-1v5fA:
undetectable		 2a1mA-1v5fA:
19.59
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.
1wa4 PCZA361.16

(Amycolatopsis
orientalis) 		PF00908
(dTDP_sugar_isom) 		4 TYR A 113
VAL A 118
GLY A 117
THR A  65
 None
GOL  A1208 (-4.6A)
GOL  A1208 (-3.3A)
GOL  A1208 (-3.8A)
 0.94A 2a1mA-1wa4A:
undetectable		 2a1mA-1wa4A:
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.
1wp5 TOPOISOMERASE IV

(Geobacillus
stearothermophilus) 		PF03989
(DNA_gyraseA_C) 		4 TYR A 126
THR A 121
VAL A 149
THR A 113
 None
 0.91A 2a1mA-1wp5A:
undetectable		 2a1mA-1wp5A:
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A  58
VAL A 206
GLY A 205
ASP A 199
 None
 0.92A 2a1mA-1xdiA:
undetectable		 2a1mA-1xdiA:
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 THR A  64
VAL A 227
GLY A 226
ASP A 294
 None
None
None
ZN  A 921 ( 2.3A)
 0.80A 2a1mA-2dkdA:
undetectable		 2a1mA-2dkdA:
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.
2f9r SPHINGOMYELINASE D 1

(Loxosceles
laeta) 		no annotation 4 THR A 199
GLY A 167
THR A 179
ASP A 196
 None
 0.94A 2a1mA-2f9rA:
undetectable		 2a1mA-2f9rA:
20.72
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		4 VAL A 511
GLY A 512
THR A 458
ASP A 494
 None
 0.87A 2a1mA-2gq3A:
undetectable		 2a1mA-2gq3A:
20.82
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.
2h03 PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, B,

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A1733
VAL A1908
GLY A1909
THR A1949
 3UN  A 401 (-3.8A)
3UN  A 401 (-3.8A)
3UN  A 401 (-3.5A)
None
 0.93A 2a1mA-2h03A:
undetectable		 2a1mA-2h03A:
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.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		4 VAL A 127
GLY A 128
THR A 165
ASP A 157
 None
 0.97A 2a1mA-2i5gA:
undetectable		 2a1mA-2i5gA:
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.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 PHE A  80
THR A 160
VAL A 187
GLY A 164
 TRS  A 328 (-4.9A)
None
None
None
 0.96A 2a1mA-2ipfA:
undetectable		 2a1mA-2ipfA:
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.
2j92 PICORNAIN 3C

(Foot-and-mouth
disease virus) 		PF00548
(Peptidase_C3) 		4 PHE A  72
THR A 180
VAL A  36
GLY A  35
 None
 0.97A 2a1mA-2j92A:
undetectable		 2a1mA-2j92A:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		7 PHE A  87
TYR A  96
THR A 101
VAL A 247
GLY A 248
THR A 252
ASP A 297
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
HEM  A 501 (-2.8A)
 0.68A 2a1mA-2m56A:
68.3		 2a1mA-2m56A:
99.50
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.
2nv5 PTPRD, PHOSPHATASE

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		4 TYR A1257
VAL A1428
GLY A1429
THR A1469
 None
 0.93A 2a1mA-2nv5A:
undetectable		 2a1mA-2nv5A:
21.65
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.
2r5u REPLICATIVE DNA
HELICASE

(Mycobacterium
tuberculosis) 		PF00772
(DnaB) 		4 PHE A  57
TYR A  66
GLY A 117
ASP A  56
 None
 0.90A 2a1mA-2r5uA:
undetectable		 2a1mA-2r5uA:
20.65
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		4 TYR A 107
THR A 123
GLY A 186
THR A 190
 None
 0.96A 2a1mA-2veoA:
undetectable		 2a1mA-2veoA:
23.09
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 THR A1227
VAL A1331
GLY A1241
THR A1238
 None
 0.91A 2a1mA-2xkkA:
undetectable		 2a1mA-2xkkA:
20.18
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.
2zpb NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta) 		4 THR B  70
VAL B  77
GLY B  79
THR B  82
 None
 0.97A 2a1mA-2zpbB:
undetectable		 2a1mA-2zpbB:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 TYR A 703
VAL A 725
GLY A 708
ASP A 577
 None
 0.90A 2a1mA-3bdlA:
undetectable		 2a1mA-3bdlA:
22.00
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		5 THR A 235
VAL A  62
GLY A   8
THR A  10
ASP A 125
 None
PAU  A 248 ( 4.4A)
PO4  A 247 (-3.5A)
PO4  A 247 (-3.6A)
None
 1.40A 2a1mA-3bexA:
undetectable		 2a1mA-3bexA:
19.33
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 TYR A 165
THR A 216
VAL A 121
GLY A 122
THR A 137
 None
 1.01A 2a1mA-3emyA:
undetectable		 2a1mA-3emyA:
21.10
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.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		4 TYR A 950
VAL A1122
GLY A1123
THR A1163
 None
 0.90A 2a1mA-3i36A:
undetectable		 2a1mA-3i36A:
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 202
GLY A 206
THR A 311
ASP A 213
 None
 0.92A 2a1mA-3ip1A:
undetectable		 2a1mA-3ip1A:
21.55
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 PHE X 433
TYR X 427
THR X 423
GLY X1026
 None
 0.72A 2a1mA-3jb9X:
undetectable		 2a1mA-3jb9X:
15.77
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 PHE A 297
THR A 279
VAL A 240
GLY A 239
 None
 0.92A 2a1mA-3m6xA:
undetectable		 2a1mA-3m6xA:
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.
3mnz ANTI-HIV-1 ANTIBODY
13H11 LIGHT CHAIN
ANTI-HIV-1 ANTIBODY
13H11 HEAVY CHAIN

(Homo sapiens;
Mus musculus;
Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR A 164
VAL B 171
GLY B 169
THR B 192
 None
 0.96A 2a1mA-3mnzA:
undetectable		 2a1mA-3mnzA:
19.09
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 PHE A  85
TYR A  98
VAL A 292
GLY A 293
 None
None
None
PLP  A1001 ( 4.3A)
 0.85A 2a1mA-3n2oA:
undetectable		 2a1mA-3n2oA:
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.
3ng3 DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycobacterium
avium) 		PF01791
(DeoC) 		4 PHE A  66
THR A  15
GLY A 191
THR A 159
 None
UNL  A 301 ( 3.3A)
UNL  A 301 ( 4.2A)
None
 0.94A 2a1mA-3ng3A:
undetectable		 2a1mA-3ng3A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 PHE A 107
TYR A 120
VAL A 309
GLY A 310
 None
 0.90A 2a1mA-3nzqA:
undetectable		 2a1mA-3nzqA:
21.09
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.
3opu SPAP

(Streptococcus
mutans) 		PF16364
(Antigen_C) 		4 THR A1278
VAL A1234
GLY A1233
ASP A1225
 None
 0.91A 2a1mA-3opuA:
undetectable		 2a1mA-3opuA:
22.97
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		4 TYR A 124
THR A 378
VAL A 365
GLY A 364
 None
None
None
SO4  A 404 (-3.8A)
 0.96A 2a1mA-3os6A:
undetectable		 2a1mA-3os6A:
21.79
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 TYR A 185
THR A 187
GLY A  16
ASP A  62
 None
 0.84A 2a1mA-3py6A:
undetectable		 2a1mA-3py6A:
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.
3qci RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A 880
VAL A1064
GLY A1065
THR A1105
 None
None
NX3  A2001 ( 4.5A)
NX3  A2001 ( 4.6A)
 0.93A 2a1mA-3qciA:
undetectable		 2a1mA-3qciA:
20.39
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.
3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE

(Coccidioides
immitis) 		PF02502
(LacAB_rpiB) 		4 VAL A  82
GLY A  81
THR A  78
ASP A  17
 CSO  A  76 ( 3.8A)
CSO  A  76 (-3.4A)
CSO  A  76 (-3.8A)
None
 0.95A 2a1mA-3qd5A:
undetectable		 2a1mA-3qd5A:
18.42
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.
3txy ISOCHORISMATASE
FAMILY PROTEIN
FAMILY

(Burkholderia
thailandensis) 		PF00857
(Isochorismatase) 		4 THR A 139
VAL A 157
GLY A 129
THR A  38
 None
 0.92A 2a1mA-3txyA:
undetectable		 2a1mA-3txyA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A  51
VAL A 309
GLY A 310
THR A 303
 None
 0.88A 2a1mA-3ugvA:
undetectable		 2a1mA-3ugvA:
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 THR A 107
VAL A 184
GLY A 183
ASP A 247
 None
None
None
ZN  A 474 ( 2.5A)
 0.95A 2a1mA-3uw2A:
undetectable		 2a1mA-3uw2A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 PHE A  22
THR A 126
GLY A 100
ASP A 147
 ORN  A 300 ( 3.7A)
ORN  A 300 (-3.9A)
None
None
 0.94A 2a1mA-3vvdA:
undetectable		 2a1mA-3vvdA:
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.
3x0u UNCHARACTERIZED
PROTEIN

(Vibrio
parahaemolyticus) 		PF03945
(Endotoxin_N) 		4 PHE A 185
GLY A 131
THR A 134
ASP A 189
 None
 0.89A 2a1mA-3x0uA:
undetectable		 2a1mA-3x0uA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		4 PHE A 146
THR A 174
VAL A 237
GLY A 236
 None
 0.88A 2a1mA-4b2oA:
undetectable		 2a1mA-4b2oA:
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 THR A  67
VAL A 220
GLY A 219
ASP A 288
 SEP  A  69 ( 3.4A)
None
None
MG  A 998 (-2.3A)
 0.82A 2a1mA-4bjuA:
undetectable		 2a1mA-4bjuA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A1422
VAL A1593
GLY A1594
THR A1634
 None
None
CSO  A1589 ( 3.7A)
None
 0.88A 2a1mA-4bpcA:
undetectable		 2a1mA-4bpcA:
21.45
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.
4c7q RNA-BINDING
GLYCINE-RICH PROTEIN

(Nicotiana
tabacum) 		PF00076
(RRM_1) 		4 THR A  17
VAL A  10
GLY A  11
ASP A  71
 None
 0.87A 2a1mA-4c7qA:
undetectable		 2a1mA-4c7qA:
14.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 TYR A  98
THR A 103
GLY A 256
THR A 260
ASP A 305
 None
GOL  A1419 (-3.8A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
HEM  A1418 (-2.7A)
 0.55A 2a1mA-4c9mA:
58.9		 2a1mA-4c9mA:
45.15
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.
4crh SH3KBP1-BINDING
PROTEIN 1

(Homo sapiens) 		PF02214
(BTB_2) 		4 PHE A  44
TYR A 101
VAL A  25
GLY A  26
 None
 0.96A 2a1mA-4crhA:
undetectable		 2a1mA-4crhA:
14.04
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		4 VAL A 380
GLY A 379
THR A 364
ASP A 358
 None
 0.97A 2a1mA-4df9A:
undetectable		 2a1mA-4df9A:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 PHE A  87
THR A 101
GLY A 254
THR A 258
 None
HEM  A 501 ( 4.8A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
 0.82A 2a1mA-4dxyA:
52.2		 2a1mA-4dxyA:
46.12
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.
4f0g SERINE/THREONINE-PRO
TEIN KINASE ROCO4

(Dictyostelium
discoideum) 		PF07714
(Pkinase_Tyr) 		4 TYR A1028
VAL A1104
THR A1020
ASP A1023
 None
 0.90A 2a1mA-4f0gA:
undetectable		 2a1mA-4f0gA:
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 TYR A 110
THR A  34
VAL A  61
GLY A  60
 None
 0.97A 2a1mA-4h1sA:
undetectable		 2a1mA-4h1sA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1

(Homo sapiens) 		PF00400
(WD40) 		4 THR A 229
VAL A 286
GLY A 285
ASP A 246
 None
 0.69A 2a1mA-4lg9A:
undetectable		 2a1mA-4lg9A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		4 VAL A  88
GLY A  89
THR A 201
ASP A 222
 None
 0.82A 2a1mA-4m3nA:
undetectable		 2a1mA-4m3nA:
20.62
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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 THR A 106
VAL A 183
GLY A 182
ASP A 246
 None
None
None
ZN  A 501 ( 2.3A)
 0.91A 2a1mA-4mrqA:
undetectable		 2a1mA-4mrqA:
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.
4ovx XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

(Planctopirus
limnophila) 		PF01261
(AP_endonuc_2) 		4 TYR A 267
THR A 301
VAL A 283
GLY A 284
 None
 0.89A 2a1mA-4ovxA:
undetectable		 2a1mA-4ovxA:
21.34
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.
4r72 ABC-TYPE FE3+
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Actinobacillus
pleuropneumoniae) 		PF13343
(SBP_bac_6) 		4 PHE A 295
TYR A 293
THR A 153
GLY A 105
 None
 0.94A 2a1mA-4r72A:
undetectable		 2a1mA-4r72A:
24.38
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.
4xbk DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Lactobacillus
brevis) 		PF01791
(DeoC) 		4 PHE A  68
THR A  15
GLY A 190
THR A 159
 None
 0.97A 2a1mA-4xbkA:
undetectable		 2a1mA-4xbkA:
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.
4xgx FAD:PROTEIN FMN
TRANSFERASE

(Escherichia
coli) 		PF02424
(ApbE) 		4 THR A 166
VAL A 288
GLY A 285
THR A  98
 ADP  A 403 ( 3.1A)
ADP  A 403 ( 4.9A)
None
None
 0.87A 2a1mA-4xgxA:
undetectable		 2a1mA-4xgxA:
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.
4xpm UNCHARACTERIZED
PROTEIN YCR075W-A

(Saccharomyces
cerevisiae) 		PF11503
(DUF3215) 		4 VAL B  27
GLY B  26
THR B  12
ASP B   8
 None
 0.87A 2a1mA-4xpmB:
undetectable		 2a1mA-4xpmB:
10.60
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.
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Homo sapiens) 		PF05889
(SepSecS) 		4 THR A 144
VAL A 257
GLY A 256
ASP A 283
 PLR  A1001 (-3.6A)
None
None
None
 0.87A 2a1mA-4zdlA:
undetectable		 2a1mA-4zdlA:
21.88
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 THR A 439
VAL A 494
THR A 665
ASP A 446
 None
None
None
MCN  A 801 (-2.6A)
 0.88A 2a1mA-4zohA:
undetectable		 2a1mA-4zohA:
19.89
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 PHE A 870
TYR A 869
VAL A 792
GLY A 796
 None
 0.76A 2a1mA-5aw4A:
undetectable		 2a1mA-5aw4A:
18.01
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
CALCINEURIN SUBUNIT
B, VARIANT

(Coccidioides
immitis;
Coccidioides
immitis) 		PF00149
(Metallophos)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 PHE B 153
THR B 160
VAL A 375
GLY A 376
 None
 0.95A 2a1mA-5b8iB:
undetectable		 2a1mA-5b8iB:
17.02
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.
5dbt DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Streptococcus
suis) 		PF01791
(DeoC) 		4 PHE A  63
THR A  10
GLY A 183
THR A 152
 None
 0.93A 2a1mA-5dbtA:
undetectable		 2a1mA-5dbtA:
20.67
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.
5gtq LUCIFERIN
REGENERATING ENZYME

(Photinus
pyralis) 		PF08450
(SGL) 		4 VAL A  16
GLY A  17
THR A 270
ASP A 111
 None
None
None
MG  A 403 ( 4.6A)
 0.92A 2a1mA-5gtqA:
undetectable		 2a1mA-5gtqA:
22.58
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.
5h08 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A1756
VAL A1937
GLY A1938
THR A1978
 None
None
7WL  A2101 ( 3.7A)
7WL  A2101 ( 4.5A)
 0.93A 2a1mA-5h08A:
undetectable		 2a1mA-5h08A:
21.31
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 PHE A 825
VAL A 787
GLY A 786
ASP A 800
 None
 0.96A 2a1mA-5hjrA:
undetectable		 2a1mA-5hjrA:
19.37
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.
5hm7 BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 TYR A 411
VAL A 371
GLY A 372
THR A 476
 None
 0.81A 2a1mA-5hm7A:
undetectable		 2a1mA-5hm7A:
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.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		4 THR A 102
VAL A   7
GLY A   8
ASP A  52
 None
 0.84A 2a1mA-5idqA:
undetectable		 2a1mA-5idqA:
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.
5igu MACROLIDE
2'-PHOSPHOTRANSFERAS
E II

(Escherichia
coli) 		PF01636
(APH) 		4 VAL A  98
GLY A  97
THR A 215
ASP A 211
 None
 0.80A 2a1mA-5iguA:
undetectable		 2a1mA-5iguA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kvp ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF01551
(Peptidase_M23) 		4 TYR A  87
THR A  85
VAL A 101
GLY A  53
 None
 0.88A 2a1mA-5kvpA:
undetectable		 2a1mA-5kvpA:
16.39
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		4 THR A 323
GLY A 260
THR A 230
ASP A 268
 None
 0.93A 2a1mA-5ldtA:
undetectable		 2a1mA-5ldtA:
21.28
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.
5lyk BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 TYR A 441
VAL A 401
GLY A 402
THR A 506
 None
 0.77A 2a1mA-5lykA:
undetectable		 2a1mA-5lykA:
20.10
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.
5n48 NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		no annotation 4 PHE A  83
TYR A  56
THR A  54
VAL A 121
 None
 0.97A 2a1mA-5n48A:
undetectable		 2a1mA-5n48A:
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.
5nbi DESIGN OF ANTIBODIES
DESIGN OF ANTIBODIES

(Escherichia
coli;
Escherichia
coli) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR L 168
VAL H 171
GLY H 170
THR H 191
 None
 0.96A 2a1mA-5nbiL:
undetectable		 2a1mA-5nbiL:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		4 THR B 284
VAL B 245
GLY B 246
THR B 204
 None
LLP  B 101 ( 4.7A)
LLP  B 101 ( 3.3A)
LLP  B 101 ( 3.7A)
 0.89A 2a1mA-5tchB:
undetectable		 2a1mA-5tchB:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		4 PHE A 194
TYR A 190
VAL A 286
GLY A 285
 None
 0.97A 2a1mA-5vn5A:
undetectable		 2a1mA-5vn5A:
22.25
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		4 THR A 404
VAL A 414
GLY A 415
THR A 418
 None
 0.72A 2a1mA-5wgxA:
undetectable		 2a1mA-5wgxA:
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.
5whz ANTI-HIV CODV-FAB
HEAVY CHAIN
ANTI-HIV CODV-FAB
LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 THR L 289
VAL H 332
GLY H 331
THR H 352
 None
 0.94A 2a1mA-5whzL:
undetectable		 2a1mA-5whzL:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9u THERMOSOME, ALPHA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		no annotation 4 THR A  91
VAL A  85
GLY A  86
ASP A 476
 ADP  A 601 (-3.9A)
None
None
ADP  A 601 (-2.6A)
 0.86A 2a1mA-5x9uA:
undetectable		 2a1mA-5x9uA:
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 THR A 555
VAL A 501
GLY A 500
THR A 649
 None
 0.80A 2a1mA-5xapA:
undetectable		 2a1mA-5xapA:
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.
5xw5 TYROSINE-PROTEIN
PHOSPHATASE CDC14

(Saccharomyces
cerevisiae) 		PF00782
(DSPc)
PF14671
(DSPn) 		5 PHE A 185
THR A 301
VAL A 266
GLY A 267
ASP A 184
 None
 1.40A 2a1mA-5xw5A:
undetectable		 2a1mA-5xw5A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bo6 -

(-) 		no annotation 4 PHE A 437
TYR A 436
THR A 396
GLY A 369
 None
 0.92A 2a1mA-6bo6A:
undetectable		 2a1mA-6bo6A:
undetectable