SIMILAR PATTERNS OF AMINO ACIDS FOR 2GLU_B_SAMB302_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.
1a6d THERMOSOME (BETA
SUBUNIT)


(Thermoplasma
acidophilum)
PF00118
(Cpn60_TCP1)
5 GLY B 125
HIS B 118
ALA B 129
ARG B 430
ALA B 434
None
1.04A 2gluB-1a6dB:
undetectable
2gluB-1a6dB:
18.44
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.
1ayy GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica)
PF01112
(Asparaginase_2)
5 GLY B 214
ALA B 202
THR B 201
ALA B 200
ALA B 235
None
0.99A 2gluB-1ayyB:
undetectable
2gluB-1ayyB:
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA


(Methanosarcina
barkeri)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
6 GLY A1322
GLY A1506
ALA A1347
THR A1348
ALA A1323
PHE A1549
None
1.27A 2gluB-1e6yA:
undetectable
2gluB-1e6yA:
17.52
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.
1hkh GAMMA LACTAMASE

(Microbacterium)
PF00561
(Abhydrolase_1)
6 GLY A  62
HIS A  37
ALA A 193
ALA A 197
ALA A 189
PHE A 159
None
1.48A 2gluB-1hkhA:
2.7
2gluB-1hkhA:
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE


(Escherichia
coli)
PF00764
(Arginosuc_synth)
5 GLY A 273
GLY A 271
HIS A 270
ALA A 297
PHE A  99
None
1.03A 2gluB-1kp2A:
2.1
2gluB-1kp2A:
18.58
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1


(Mycobacterium
tuberculosis)
PF02353
(CMAS)
5 GLY A  72
GLY A  74
ALA A 138
HIS A 141
PHE A 142
SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.4A)
SAH  A1900 ( 4.6A)
0.75A 2gluB-1kphA:
18.0
2gluB-1kphA:
21.00
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2


(Mycobacterium
tuberculosis)
PF02353
(CMAS)
6 GLY A  80
GLY A  82
THR A  86
ALA A 146
HIS A 149
PHE A 150
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
None
SAH  A 900 (-3.1A)
SAH  A 900 (-4.3A)
None
0.97A 2gluB-1kpiA:
17.2
2gluB-1kpiA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN


(Salmonella
enterica)
PF00654
(Voltage_CLC)
5 GLY A 303
GLY A 306
ALA A 141
ALA A  87
ALA A  82
None
0.96A 2gluB-1kplA:
undetectable
2gluB-1kplA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1e MYCOLIC ACID
SYNTHASE


(Mycobacterium
tuberculosis)
PF02353
(CMAS)
5 GLY A  72
GLY A  74
ALA A 138
HIS A 141
PHE A 142
SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
SAH  A 900 (-3.4A)
SAH  A 900 ( 4.8A)
SAH  A 900 ( 4.7A)
0.80A 2gluB-1l1eA:
18.1
2gluB-1l1eA:
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
6 HIS A 536
ALA A 553
THR A 552
ALA A 550
ARG A 533
ALA A 609
None
1.46A 2gluB-1rw9A:
undetectable
2gluB-1rw9A:
14.80
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.
1sq1 CHORISMATE SYNTHASE

(Campylobacter
jejuni)
PF01264
(Chorismate_synt)
5 GLY A  14
THR A   3
ARG A 126
ALA A 130
PHE A  10
None
1.00A 2gluB-1sq1A:
undetectable
2gluB-1sq1A:
19.36
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.
1t8q GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PERIPLASMIC


(Escherichia
coli)
PF03009
(GDPD)
5 GLY A  38
HIS A  36
THR A 345
ALA A  52
ALA A  59
None
GOL  A1605 (-3.7A)
None
None
None
0.99A 2gluB-1t8qA:
undetectable
2gluB-1t8qA:
19.53
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.
1ta9 GLYCEROL
DEHYDROGENASE


(Schizosaccharomyces
pombe)
PF00465
(Fe-ADH)
5 GLY A 285
THR A 288
ALA A 221
THR A 178
ALA A 179
None
1.03A 2gluB-1ta9A:
undetectable
2gluB-1ta9A:
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE


(Escherichia
coli)
PF00291
(PALP)
PF00585
(Thr_dehydrat_C)
5 GLY A  88
HIS A  90
ALA A 114
THR A 113
ALA A 120
None
1.01A 2gluB-1tdjA:
2.0
2gluB-1tdjA:
17.85
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2


(Mycobacterium
tuberculosis)
PF02353
(CMAS)
5 GLY A  72
GLY A  74
ALA A 138
HIS A 141
PHE A 142
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
SAH  A1900 (-3.1A)
16A  A1901 ( 4.2A)
SAH  A1900 (-4.6A)
0.72A 2gluB-1tpyA:
18.2
2gluB-1tpyA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1un9 DIHYDROXYACETONE
KINASE


(Citrobacter
freundii)
PF02733
(Dak1)
PF02734
(Dak2)
5 GLY A 163
GLY A  72
THR A  75
ALA A 179
ALA A 166
None
1.02A 2gluB-1un9A:
undetectable
2gluB-1un9A:
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.
1un9 DIHYDROXYACETONE
KINASE


(Citrobacter
freundii)
PF02733
(Dak1)
PF02734
(Dak2)
6 GLY A 163
GLY A  72
THR A  75
ALA A 317
THR A 320
ALA A 166
None
1.02A 2gluB-1un9A:
undetectable
2gluB-1un9A:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331


(Bacillus
halodurans)
PF08241
(Methyltransf_11)
7 GLY A  52
HIS A  55
ALA A  99
ARG A 115
ALA A 117
HIS A 120
PHE A 121
None
0.40A 2gluB-1vl5A:
31.7
2gluB-1vl5A:
34.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331


(Bacillus
halodurans)
PF08241
(Methyltransf_11)
5 GLY A  52
THR A  73
ALA A  99
ALA A 117
PHE A 121
None
0.87A 2gluB-1vl5A:
31.7
2gluB-1vl5A:
34.60
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT


(Corynebacterium
sp. U-96)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4)
5 GLY A 431
GLY A 435
ALA A 247
ALA A 427
ALA A 141
None
None
None
NAD  A1002 ( 4.0A)
None
0.97A 2gluB-1vrqA:
undetectable
2gluB-1vrqA:
12.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xxl YCGJ PROTEIN

(Bacillus
subtilis)
PF08241
(Methyltransf_11)
5 ALA A  97
ARG A  85
ALA A  87
HIS A  90
PHE A  91
None
SO4  A 402 (-3.3A)
None
None
None
0.97A 2gluB-1xxlA:
38.8
2gluB-1xxlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xxl YCGJ PROTEIN

(Bacillus
subtilis)
PF08241
(Methyltransf_11)
11 GLY A  20
GLY A  22
HIS A  25
THR A  26
ALA A  42
THR A  43
THR A  68
ALA A  69
ARG A  85
ALA A  87
HIS A  90
None
None
SO4  A 402 (-4.2A)
None
None
None
None
None
SO4  A 402 (-3.3A)
None
None
0.52A 2gluB-1xxlA:
38.8
2gluB-1xxlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xxl YCGJ PROTEIN

(Bacillus
subtilis)
PF08241
(Methyltransf_11)
11 GLY A  20
GLY A  22
THR A  26
ALA A  42
THR A  43
THR A  68
ALA A  69
ARG A  85
ALA A  87
HIS A  90
PHE A  91
None
None
None
None
None
None
None
SO4  A 402 (-3.3A)
None
None
None
0.61A 2gluB-1xxlA:
38.8
2gluB-1xxlA:
100.00
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.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A


(Mus musculus)
PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
5 ALA A 414
THR A 351
ALA A 350
ALA A 371
PHE A 444
None
1.02A 2gluB-1y1uA:
undetectable
2gluB-1y1uA:
18.04
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT


(Stenotrophomonas
maltophilia)
PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4)
5 GLY A 432
GLY A 436
ALA A 248
ALA A 428
ALA A 142
None
None
NAD  A 999 (-4.8A)
NAD  A 999 ( 4.1A)
None
0.98A 2gluB-2gahA:
undetectable
2gluB-2gahA:
13.16
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE


(Homo sapiens)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
6 GLY A 212
GLY A 388
THR A 207
ALA A 281
ALA A 395
ALA A 215
None
1.47A 2gluB-2iwzA:
undetectable
2gluB-2iwzA:
21.06
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.
2lak AHSA1-LIKE PROTEIN
RHE_CH02687


(Rhizobium etli)
PF08327
(AHSA1)
6 GLY A 132
HIS A 129
ALA A 138
ARG A  13
ALA A  15
HIS A  16
None
1.00A 2gluB-2lakA:
undetectable
2gluB-2lakA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN


(Porphyromonas
gingivalis)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
5 GLY A 143
GLY A 141
HIS A 171
ALA A  61
THR A  27
GLY  A 143 ( 0.0A)
GLY  A 141 ( 0.0A)
HIS  A 171 ( 1.0A)
ALA  A  61 ( 0.0A)
THR  A  27 ( 0.8A)
1.00A 2gluB-2nvvA:
undetectable
2gluB-2nvvA:
18.43
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae)
PF08596
(Lgl_C)
5 GLY A 507
ALA A 470
ALA A 873
ALA A 524
PHE A 510
None
1.03A 2gluB-2oajA:
undetectable
2gluB-2oajA:
13.27
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.
2vef DIHYDROPTEROATE
SYNTHASE


(Streptococcus
pneumoniae)
PF00809
(Pterin_bind)
5 GLY A 192
ALA A 188
ARG A 129
ALA A 126
HIS A 123
None
0.94A 2gluB-2vefA:
undetectable
2gluB-2vefA:
19.53
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803)
PF00190
(Cupin_1)
5 HIS A 235
THR A 236
THR A 228
THR A 223
ALA A 222
None
0.86A 2gluB-2vqaA:
undetectable
2gluB-2vqaA:
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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE


(Thermococcus
litoralis)
PF00155
(Aminotran_1_2)
5 GLY A 107
GLY A 109
ALA A 242
THR A 215
ALA A 216
PMP  A 409 (-3.7A)
None
None
None
PMP  A 409 ( 3.7A)
1.05A 2gluB-2zc0A:
undetectable
2gluB-2zc0A:
20.20
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.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350


(Thermus
thermophilus)
PF00582
(Usp)
5 THR A 266
ALA A  13
THR A   7
ALA A   6
ALA A 133
THR  A 266 ( 0.8A)
ALA  A  13 ( 0.0A)
THR  A   7 ( 0.8A)
ALA  A   6 ( 0.0A)
ALA  A 133 ( 0.0A)
1.02A 2gluB-3ab7A:
3.2
2gluB-3ab7A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE


(Thiobacillus
denitrificans)
PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
5 GLY A 443
GLY A 369
ALA A 445
THR A 371
THR A 402
None
1.03A 2gluB-3cr8A:
undetectable
2gluB-3cr8A:
19.30
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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE


(Staphylococcus
aureus)
PF13738
(Pyr_redox_3)
5 GLY A  12
GLY A  39
THR A 138
ALA A 137
ALA A  13
FAD  A 500 (-3.5A)
None
FAD  A 500 (-4.1A)
None
FAD  A 500 (-3.5A)
1.01A 2gluB-3d1cA:
undetectable
2gluB-3d1cA:
20.93
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.
3e1t HALOGENASE

(Chondromyces
crocatus)
PF04820
(Trp_halogenase)
5 GLY A  19
GLY A  15
THR A 320
ALA A 323
ALA A  23
None
FAD  A 600 ( 4.9A)
None
None
None
1.01A 2gluB-3e1tA:
undetectable
2gluB-3e1tA:
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD


(Paraburkholderia
xenovorans)
PF05853
(BKACE)
5 GLY A  39
THR A  78
THR A 271
ALA A  12
ALA A  45
None
0.96A 2gluB-3e49A:
undetectable
2gluB-3e49A:
24.92
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II


(Bartonella
henselae)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
6 GLY A 173
GLY A 350
THR A 168
ALA A 244
ALA A 357
ALA A 176
None
1.46A 2gluB-3e60A:
undetectable
2gluB-3e60A:
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY


(Trichormus
variabilis)
PF08241
(Methyltransf_11)
5 GLY A  41
ALA A  84
ALA A 102
HIS A 104
PHE A 106
EDO  A 261 (-3.2A)
None
EDO  A 261 ( 3.8A)
None
None
0.97A 2gluB-3egeA:
16.7
2gluB-3egeA:
25.93
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY


(Trichormus
variabilis)
PF08241
(Methyltransf_11)
6 GLY A  41
GLY A  43
ALA A  84
ALA A 102
HIS A 105
PHE A 106
EDO  A 261 (-3.2A)
EDO  A 261 ( 3.9A)
None
EDO  A 261 ( 3.8A)
EDO  A 261 ( 4.6A)
None
0.47A 2gluB-3egeA:
16.7
2gluB-3egeA:
25.93
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.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G


(Thermus
thermophilus)
PF02527
(GidB)
6 GLY A  88
GLY A  90
ALA A 112
THR A 113
ALA A 139
ARG A 158
SAH  A 303 (-3.0A)
SAH  A 303 (-3.5A)
SAH  A 303 (-3.6A)
SAH  A 303 (-4.2A)
SAH  A 303 (-3.8A)
SAH  A 303 (-3.9A)
0.84A 2gluB-3g8aA:
14.2
2gluB-3g8aA:
23.57
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.
3h77 PQS BIOSYNTHETIC
ENZYME


(Pseudomonas
aeruginosa)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 GLY A 164
GLY A 139
THR A 296
ALA A 298
ALA A  58
None
1.02A 2gluB-3h77A:
undetectable
2gluB-3h77A:
21.35
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.
3h9m P-AMINOBENZOATE
SYNTHETASE,
COMPONENT I


(Cytophaga
hutchinsonii)
PF00425
(Chorismate_bind)
5 GLY A  90
HIS A  98
THR A  99
ALA A  86
PHE A 334
None
0.98A 2gluB-3h9mA:
undetectable
2gluB-3h9mA:
19.44
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108


(Bacillus
thuringiensis)
PF08241
(Methyltransf_11)
5 GLY A  53
GLY A  55
ALA A 115
HIS A 118
PHE A  98
None
0.69A 2gluB-3hnrA:
17.4
2gluB-3hnrA:
20.99
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.
3kbh SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63)
PF01600
(Corona_S1)
5 GLY E 594
ALA E 489
THR E 490
ALA E 491
ALA E 583
None
0.95A 2gluB-3kbhE:
undetectable
2gluB-3kbhE:
18.41
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.
3mq2 16S RRNA
METHYLTRANSFERASE


(Streptoalloteichus
tenebrarius)
PF02390
(Methyltransf_4)
5 GLY A  32
GLY A  34
ALA A  56
THR A  86
ALA A  87
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-3.8A)
SAH  A 216 (-4.4A)
SAH  A 216 (-3.5A)
0.35A 2gluB-3mq2A:
12.2
2gluB-3mq2A:
24.00
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II


(Listeria
monocytogenes)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 GLY A 347
GLY A 236
THR A 188
THR A  15
ALA A 350
None
0.99A 2gluB-3o04A:
undetectable
2gluB-3o04A:
20.19
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE


(Oryctolagus
cuniculus)
PF00365
(PFK)
6 GLY A 414
THR A 544
THR A 528
ALA A 527
ARG A 420
ALA A 676
None
None
PO4  A 768 (-4.5A)
None
PO4  A 767 (-4.4A)
None
1.31A 2gluB-3o8lA:
undetectable
2gluB-3o8lA:
14.40
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.
3po0 SMALL ARCHAEAL
MODIFIER PROTEIN 1


(Haloferax
volcanii)
PF02597
(ThiS)
5 GLY A  69
GLY A  29
ALA A  71
THR A  72
ALA A  67
None
1.05A 2gluB-3po0A:
undetectable
2gluB-3po0A:
17.39
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
5 GLY A 167
GLY A 165
ALA A 119
ALA A 161
HIS A 160
None
0.72A 2gluB-3q3cA:
4.8
2gluB-3q3cA:
20.51
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.
3qha PUTATIVE
OXIDOREDUCTASE


(Mycobacterium
avium)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
5 GLY A 173
GLY A 171
ALA A 125
ALA A 167
HIS A 166
None
0.81A 2gluB-3qhaA:
5.0
2gluB-3qhaA:
23.53
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.
3qkg PROTEIN AMBP

(Homo sapiens)
PF00061
(Lipocalin)
5 GLY A  31
THR A 162
ALA A  29
ALA A 150
PHE A 146
None
0.96A 2gluB-3qkgA:
undetectable
2gluB-3qkgA:
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.
3qkg PROTEIN AMBP

(Homo sapiens)
PF00061
(Lipocalin)
5 THR A  33
THR A 162
ALA A  29
ALA A 150
PHE A 146
None
0.96A 2gluB-3qkgA:
undetectable
2gluB-3qkgA:
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE


(Campylobacter
jejuni)
PF00709
(Adenylsucc_synt)
5 GLY A 260
GLY A   9
ALA A 315
THR A 314
ALA A 322
None
1.02A 2gluB-3r7tA:
undetectable
2gluB-3r7tA:
20.96
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2


(Saccharopolyspora
spinosa)
PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2)
5 GLY A 519
HIS A 688
ALA A 597
THR A 515
ALA A 523
NDP  A 802 (-3.0A)
None
None
None
None
0.93A 2gluB-3slkA:
7.0
2gluB-3slkA:
16.08
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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE


(Rattus
norvegicus)
PF05028
(PARG_cat)
5 GLY A 720
THR A 897
THR A 863
ALA A 862
HIS A 715
None
1.03A 2gluB-3uelA:
undetectable
2gluB-3uelA:
15.91
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560)
PF00144
(Beta-lactamase)
5 GLY A 107
HIS A 113
THR A 114
THR A 163
ALA A  88
None
0.92A 2gluB-3wrtA:
undetectable
2gluB-3wrtA:
20.38
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.
4b5q GLYCOSIDE HYDROLASE
FAMILY 61 PROTEIN D


(Phanerochaete
chrysosporium)
PF03443
(Glyco_hydro_61)
5 THR A  15
ALA A  52
THR A  51
ALA A  91
ALA A 164
None
0.94A 2gluB-4b5qA:
undetectable
2gluB-4b5qA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE


(Trypanosoma
brucei)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 GLY A  58
THR A  63
ALA A  53
ALA A  96
ALA A 264
None
1.03A 2gluB-4bi9A:
undetectable
2gluB-4bi9A:
20.84
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT


(Vaccinia virus)
PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT)
5 GLY A 600
GLY A 602
ALA A 618
THR A 619
ALA A 625
SAH  A1845 (-3.4A)
None
None
None
SAH  A1845 ( 4.7A)
1.03A 2gluB-4ckbA:
15.6
2gluB-4ckbA:
12.95
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.
4es7 PROTEIN AMBP

(Homo sapiens)
PF00061
(Lipocalin)
5 GLY A  24
THR A 155
ALA A  22
ALA A 143
PHE A 139
None
0.99A 2gluB-4es7A:
undetectable
2gluB-4es7A:
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.
4es7 PROTEIN AMBP

(Homo sapiens)
PF00061
(Lipocalin)
5 THR A  26
THR A 155
ALA A  22
ALA A 143
PHE A 139
None
0.87A 2gluB-4es7A:
undetectable
2gluB-4es7A:
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.
4ewc PUTATIVE
NUCLEOPROTEIN


(Salmon isavirus)
no annotation 6 GLY A 290
GLY A 305
THR A 379
ALA A 446
ALA A 288
PHE A 447
None
1.44A 2gluB-4ewcA:
undetectable
2gluB-4ewcA:
18.36
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.
4hkj CPXV203 PROTEIN

(Cowpox virus)
PF04490
(Pox_T4_C)
PF04491
(Pox_T4_N)
6 GLY D  51
GLY D  49
THR D  79
ALA D  24
ARG D  53
PHE D  27
None
1.35A 2gluB-4hkjD:
undetectable
2gluB-4hkjD:
19.60
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE


(Yersinia pestis)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
5 GLY A  33
GLY A  28
THR A 161
ALA A 163
ALA A  36
None
0.98A 2gluB-4hv4A:
4.3
2gluB-4hv4A:
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis)
PF00067
(p450)
5 GLY A 358
THR A 238
ARG A 114
ALA A 117
PHE A 137
None
HEM  A 405 ( 4.5A)
None
None
None
0.89A 2gluB-4ictA:
undetectable
2gluB-4ictA:
21.83
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis)
PF00067
(p450)
5 GLY A 358
THR A 238
THR A 243
ARG A 114
PHE A 137
None
HEM  A 405 ( 4.5A)
None
None
None
1.02A 2gluB-4ictA:
undetectable
2gluB-4ictA:
21.83
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans)
PF08241
(Methyltransf_11)
5 GLY A 232
GLY A 234
ALA A 282
ARG A 298
HIS A 303
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.0A)
0.62A 2gluB-4ineA:
18.7
2gluB-4ineA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE


(Plasmodium
knowlesi)
PF08241
(Methyltransf_11)
5 GLY A  61
GLY A  63
ARG A 125
ALA A 127
HIS A 130
SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
0.83A 2gluB-4iv8A:
18.2
2gluB-4iv8A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED


(Xanthomonas
oryzae)
PF01053
(Cys_Met_Meta_PP)
5 GLY B 220
ALA B  91
THR B  92
ALA B  84
ALA B 208
None
1.02A 2gluB-4iyoB:
2.3
2gluB-4iyoB:
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.
4j05 PHOSPHATE
TRANSPORTER


(Serendipita
indica)
PF00083
(Sugar_tr)
5 GLY A 319
GLY A 315
THR A 433
ALA A 430
PHE A 393
None
0.99A 2gluB-4j05A:
undetectable
2gluB-4j05A:
17.89
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Rickettsia
rickettsii)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 GLY A 202
GLY A 180
HIS A 182
ALA A 250
ALA A  94
None
0.80A 2gluB-4jgaA:
undetectable
2gluB-4jgaA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jy4 PGT121 HEAVY CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
5 GLY B  88
THR B 105
ALA B  85
THR B  83
ALA B  82
None
1.02A 2gluB-4jy4B:
undetectable
2gluB-4jy4B:
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)


(Cupriavidus
metallidurans)
PF00873
(ACR_tran)
5 GLY A 898
GLY A 995
ALA A 894
ARG A 905
PHE A 917
None
1.00A 2gluB-4k0eA:
undetectable
2gluB-4k0eA:
12.81
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2


(Haemonchus
contortus)
PF08241
(Methyltransf_11)
5 GLY A 228
GLY A 230
ALA A 278
ARG A 294
HIS A 299
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-4.2A)
0.62A 2gluB-4kriA:
19.2
2gluB-4kriA:
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1


(Sicarius
terrosus)
no annotation 5 GLY A 106
GLY A 144
THR A  41
ALA A  42
ALA A 110
None
0.92A 2gluB-4q6xA:
undetectable
2gluB-4q6xA:
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.
4x8f RIBOKINASE

(Vibrio cholerae)
PF00294
(PfkB)
5 GLY A  39
ALA A 249
THR A 248
THR A 253
ALA A  47
None
1.03A 2gluB-4x8fA:
3.3
2gluB-4x8fA:
24.01
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE


(Aspergillus
flavus)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 GLY A  12
GLY A  14
ALA A  37
ALA A 235
ALA A 275
FAD  A 601 (-3.3A)
FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-3.5A)
FAD  A 601 (-3.8A)
0.99A 2gluB-4ynuA:
3.3
2gluB-4ynuA:
16.44
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE


(Aspergillus
flavus)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 GLY A  12
GLY A  14
ALA A  37
THR A 234
ALA A 235
FAD  A 601 (-3.3A)
FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-4.3A)
FAD  A 601 (-3.5A)
0.91A 2gluB-4ynuA:
3.3
2gluB-4ynuA:
16.44
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE


(Streptomyces
sp.)
no annotation 5 HIS A 133
ALA A 143
ALA A 195
ALA A 152
HIS A 149
None
None
None
GOL  A1324 ( 4.1A)
GOL  A1324 ( 4.4A)
1.01A 2gluB-5a0kA:
undetectable
2gluB-5a0kA:
22.86
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.
5a3j PUTATIVE
QUINONE-OXIDOREDUCTA
SE HOMOLOG,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2)
6 GLY A 169
GLY A 167
ALA A 163
THR A 186
ALA A 185
ALA A 172
None
1.26A 2gluB-5a3jA:
7.8
2gluB-5a3jA:
22.74
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.
5by2 PHOSPHOHEPTOSE
ISOMERASE


(Colwellia
psychrerythraea)
PF13580
(SIS_2)
6 GLY A  48
GLY A  50
THR A 118
ALA A 115
ALA A  56
HIS A  55
None
1.25A 2gluB-5by2A:
undetectable
2gluB-5by2A:
22.92
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.
5doz JAMJ

(Lyngbya
majuscula)
PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2)
6 GLY A 165
GLY A 163
ALA A 159
THR A 182
ALA A 181
ALA A 168
None
NDP  A 502 (-3.7A)
NDP  A 502 (-3.3A)
None
None
None
1.36A 2gluB-5dozA:
8.6
2gluB-5dozA:
19.76
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.
5dp1 CURK

(Moorea
producens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
6 GLY A 165
GLY A 163
ALA A 159
THR A 182
ALA A 181
ALA A 168
None
GOL  A 403 ( 3.7A)
None
None
None
None
1.31A 2gluB-5dp1A:
8.8
2gluB-5dp1A:
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.
5dp2 CURF

(Lyngbya
majuscula)
PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2)
6 GLY A 167
GLY A 165
ALA A 161
THR A 184
ALA A 183
ALA A 170
None
NAP  A 401 (-3.5A)
NAP  A 401 ( 3.7A)
None
None
None
1.33A 2gluB-5dp2A:
8.9
2gluB-5dp2A:
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus)
PF08241
(Methyltransf_11)
5 GLY A  85
GLY A  87
THR A  91
ALA A 136
HIS A 157
SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.3A)
1.00A 2gluB-5gm2A:
21.0
2gluB-5gm2A:
24.60
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.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ


(Pseudomonas
aeruginosa)
PF00588
(SpoU_methylase)
6 GLY A  19
GLY A  16
HIS A  14
THR A  54
ALA A  53
ALA A  21
None
1.48A 2gluB-5gmbA:
undetectable
2gluB-5gmbA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL


(Homo sapiens)
PF00180
(Iso_dh)
5 GLY B 253
HIS B 323
THR B 324
ALA B 246
ALA B 288
None
0.94A 2gluB-5grhB:
undetectable
2gluB-5grhB:
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
5 GLY A 113
THR A 108
ALA A 122
ALA A 287
PHE A 284
None
0.98A 2gluB-5h80A:
2.7
2gluB-5h80A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdf HYDROLASE

(Streptomyces
flocculus)
no annotation 6 GLY B 305
ALA B 303
THR B 207
ALA B 208
ARG B 307
ALA B 347
None
1.46A 2gluB-5hdfB:
2.5
2gluB-5hdfB:
19.22
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.
5mal LIPASE

(Streptomyces
rimosus)
PF13472
(Lipase_GDSL_2)
5 GLY A  14
ALA A  51
THR A  50
ALA A  36
PHE A  47
None
1.02A 2gluB-5malA:
3.3
2gluB-5malA:
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus)
no annotation 5 THR A 110
THR A  59
ALA A  58
ALA A 104
HIS A 103
None
None
FMN  A1001 (-3.3A)
None
None
0.89A 2gluB-5nuxA:
undetectable
2gluB-5nuxA:
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63)
PF01600
(Corona_S1)
PF01601
(Corona_S2)
5 GLY A 594
ALA A 489
THR A 490
ALA A 491
ALA A 583
None
None
NAG  A1437 ( 4.0A)
None
None
1.01A 2gluB-5szsA:
undetectable
2gluB-5szsA:
9.96
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.
5v2i GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica)
PF01112
(Asparaginase_2)
5 GLY A 214
ALA A 202
THR A 201
ALA A 200
ALA A 235
None
1.01A 2gluB-5v2iA:
undetectable
2gluB-5v2iA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yu1 LYSINE
CYCLODEAMINASE


(Streptomyces
pristinaespiralis)
no annotation 5 GLY A 303
HIS A 257
THR A 118
ALA A 208
ALA A 235
NAD  A 402 ( 3.2A)
None
YCP  A 403 (-4.0A)
NAD  A 402 (-4.4A)
NA  A 401 ( 4.1A)
0.96A 2gluB-5yu1A:
6.4
2gluB-5yu1A:
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.
5zgb PSAK

(Cyanidioschyzon
merolae)
no annotation 5 GLY K  24
GLY K  20
ALA K  38
THR K  34
ALA K  27
None
None
BCR  K 101 (-3.8A)
None
BCR  K 101 ( 3.7A)
1.00A 2gluB-5zgbK:
undetectable
2gluB-5zgbK:
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.
6ar7 UNCHARACTERIZED
PROTEIN


(Burkholderia
thailandensis)
PF07007
(LprI)
5 GLY A 152
GLY A 150
ALA A 147
THR A  81
ALA A  82
None
0.92A 2gluB-6ar7A:
undetectable
2gluB-6ar7A:
25.28
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.
6at7 PHENYLALANINE
AMMONIA-LYASE


(Sorghum bicolor)
no annotation 5 GLY A 393
THR A 188
ALA A 357
THR A 358
ALA A 485
None
MDO  A 190 ( 4.4A)
None
None
None
0.90A 2gluB-6at7A:
undetectable
2gluB-6at7A:
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.
6blg DTDP-4-AMINO-4,6-DID
EOXYGALACTOSE
TRANSAMINASE


(Klebsiella
pneumoniae)
no annotation 5 GLY A 173
THR A  46
ALA A 154
ALA A 191
PHE A 177
None
None
LLP  A 181 ( 3.3A)
None
None
0.80A 2gluB-6blgA:
2.5
2gluB-6blgA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6evg MULTI-COPPER OXIDASE
CUEO


(Ochrobactrum)
no annotation 5 GLY A  61
GLY A  65
ALA A  57
THR A  43
HIS A  46
None
1.03A 2gluB-6evgA:
undetectable
2gluB-6evgA:
undetectable