SIMILAR PATTERNS OF AMINO ACIDS FOR 2JST_A_HLTA101_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		4 TRP A  67
ALA A  83
LEU A  75
ALA A  82
 None
 1.35A 2jstA-1a0dA:
1.4
2jstB-1a0dA:
1.5		 2jstA-1a0dA:
11.96
2jstB-1a0dA:
11.96
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 ALA A 145
TRP A  49
LEU A  48
ALA A 148
 None
 1.29A 2jstA-1cpyA:
undetectable
2jstB-1cpyA:
0.0		 2jstA-1cpyA:
9.50
2jstB-1cpyA:
9.50
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 ALA A 169
TRP A 204
LEU A 207
ALA A 173
 None
 1.27A 2jstA-1fcdA:
0.0
2jstB-1fcdA:
0.0		 2jstA-1fcdA:
9.48
2jstB-1fcdA:
9.48
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 ALA A 206
TRP A 171
LEU A 170
ALA A 243
 None
 1.21A 2jstA-1i4wA:
0.0
2jstB-1i4wA:
0.0		 2jstA-1i4wA:
11.85
2jstB-1i4wA:
11.85
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 TRP A 155
ALA A 108
LEU A 118
ALA A 140
 None
 1.32A 2jstA-1i9gA:
0.0
2jstB-1i9gA:
0.0		 2jstA-1i9gA:
12.92
2jstB-1i9gA:
12.92
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TRP A  93
ALA A 144
LEU A 196
ALA A  82
 ABD  A1200 (-3.9A)
None
ABD  A1200 ( 4.8A)
None
 1.36A 2jstA-1qhoA:
0.0
2jstB-1qhoA:
undetectable		 2jstA-1qhoA:
5.39
2jstB-1qhoA:
5.39
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.
1rtw TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE

(Pyrococcus
furiosus) 		PF03070
(TENA_THI-4) 		4 ALA A 135
TRP A 202
LEU A 199
ALA A 131
 None
 1.10A 2jstA-1rtwA:
0.0
2jstB-1rtwA:
0.0		 2jstA-1rtwA:
19.10
2jstB-1rtwA:
19.10
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.
1rv9 CONSERVED
HYPOTHETICAL PROTEIN
NMB0706

(Neisseria
meningitidis) 		PF02578
(Cu-oxidase_4) 		4 ALA A 182
TRP A 138
LEU A 206
ALA A 142
 None
 1.19A 2jstA-1rv9A:
0.0
2jstB-1rv9A:
0.0		 2jstA-1rv9A:
13.78
2jstB-1rv9A:
13.78
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 111
TRP B 135
LEU A 143
ALA A 110
 None
 1.11A 2jstA-1tqyA:
undetectable
2jstB-1tqyA:
undetectable		 2jstA-1tqyA:
9.87
2jstB-1tqyA:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ALA A 207
TRP A 392
LEU A 201
ALA A 208
 None
None
None
MYR  A1001 ( 3.9A)
 1.26A 2jstA-1v26A:
undetectable
2jstB-1v26A:
undetectable		 2jstA-1v26A:
10.30
2jstB-1v26A:
10.30
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.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		4 ALA A 184
TRP A 262
LEU A 261
ALA A 266
 None
 1.15A 2jstA-1v72A:
undetectable
2jstB-1v72A:
undetectable		 2jstA-1v72A:
10.11
2jstB-1v72A:
10.11
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.
1wd5 HYPOTHETICAL PROTEIN
TT1426

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		4 ALA A  42
TRP A 206
LEU A 203
ALA A  38
 None
 1.32A 2jstA-1wd5A:
undetectable
2jstB-1wd5A:
undetectable		 2jstA-1wd5A:
16.26
2jstB-1wd5A:
16.26
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.
1ytk NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE FROM
THERMOPLASMA
ACIDOPHILUM

(Thermoplasma
acidophilum) 		PF01729
(QRPTase_C) 		4 TRP A 194
ALA A 221
LEU A 210
ALA A 220
 None
 1.36A 2jstA-1ytkA:
undetectable
2jstB-1ytkA:
undetectable		 2jstA-1ytkA:
14.59
2jstB-1ytkA:
14.59
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TRP A 255
ALA A 229
LEU A 253
ALA A 277
 None
 1.33A 2jstA-1zr6A:
undetectable
2jstB-1zr6A:
undetectable		 2jstA-1zr6A:
10.51
2jstB-1zr6A:
10.51
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 ALA B 237
TRP B   7
LEU B   8
ALA B 236
 None
 1.17A 2jstA-2amcB:
undetectable
2jstB-2amcB:
undetectable		 2jstA-2amcB:
15.03
2jstB-2amcB:
15.03
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.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		4 TRP A 253
ALA A 301
LEU A 348
ALA A 300
 None
 1.32A 2jstA-2bghA:
undetectable
2jstB-2bghA:
undetectable		 2jstA-2bghA:
11.65
2jstB-2bghA:
11.65
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.
2c3n GLUTATHIONE
S-TRANSFERASE THETA
1

(Homo sapiens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 TRP A 194
ALA A 166
LEU A 152
ALA A 170
 None
 1.06A 2jstA-2c3nA:
undetectable
2jstB-2c3nA:
undetectable		 2jstA-2c3nA:
15.48
2jstB-2c3nA:
15.48
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 TRP B 596
ALA B 361
LEU B 583
ALA B 330
 None
 1.30A 2jstA-2c6wB:
undetectable
2jstB-2c6wB:
undetectable		 2jstA-2c6wB:
8.71
2jstB-2c6wB:
8.71
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.
2can ORNITHINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00202
(Aminotran_3) 		4 ALA A 225
TRP A 156
LEU A 152
ALA A 226
 None
 1.07A 2jstA-2canA:
undetectable
2jstB-2canA:
undetectable		 2jstA-2canA:
10.00
2jstB-2canA:
10.00
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		4 TRP A 108
ALA A 244
LEU A 107
ALA A 272
 None
 1.25A 2jstA-2dgkA:
undetectable
2jstB-2dgkA:
undetectable		 2jstA-2dgkA:
8.18
2jstB-2dgkA:
8.18
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ALA A  29
TRP A  56
LEU A  55
ALA A  16
 None
 1.09A 2jstA-2dpnA:
undetectable
2jstB-2dpnA:
undetectable		 2jstA-2dpnA:
11.19
2jstB-2dpnA:
11.19
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.
2fsr ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13302
(Acetyltransf_3) 		4 ALA A 111
TRP A  95
LEU A  96
ALA A 110
 None
 1.12A 2jstA-2fsrA:
undetectable
2jstB-2fsrA:
undetectable		 2jstA-2fsrA:
17.24
2jstB-2fsrA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gnw NON-SYMBIOTIC
HEMOGLOBIN 1

(Oryza sativa) 		PF00042
(Globin) 		4 ALA A  74
TRP A  40
LEU A  64
ALA A  36
 None
 1.15A 2jstA-2gnwA:
1.6
2jstB-2gnwA:
1.6		 2jstA-2gnwA:
18.79
2jstB-2gnwA:
18.79
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.
2l6z LIM DOMAIN ONLY 2,
LINKER, LIM
DOMAIN-BINDING
PROTEIN 1

(Mus musculus) 		PF00412
(LIM) 		4 TRP C 151
ALA C 124
LEU C 136
ALA C 123
 None
ZN  C 181 ( 4.4A)
None
None
 1.26A 2jstA-2l6zC:
undetectable
2jstB-2l6zC:
undetectable		 2jstA-2l6zC:
19.09
2jstB-2l6zC:
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.
2ljr GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TRP A 193
ALA A 165
LEU A 151
ALA A 169
 None
 0.97A 2jstA-2ljrA:
undetectable
2jstB-2ljrA:
undetectable		 2jstA-2ljrA:
14.67
2jstB-2ljrA:
14.67
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ALA A 142
TRP A 221
LEU A 225
ALA A 141
 None
GOL  A 905 (-3.8A)
None
None
 1.33A 2jstA-2o3jA:
undetectable
2jstB-2o3jA:
undetectable		 2jstA-2o3jA:
10.33
2jstB-2o3jA:
10.33
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.
2oif NON-LEGUME
HEMOGLOBIN

(Hordeum vulgare) 		PF00042
(Globin) 		4 ALA A  82
TRP A 143
LEU A  17
ALA A 146
 None
 1.16A 2jstA-2oifA:
undetectable
2jstB-2oifA:
undetectable		 2jstA-2oifA:
24.29
2jstB-2oifA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q62 ARSH

(Sinorhizobium
meliloti) 		PF03358
(FMN_red) 		4 TRP A 123
ALA A  81
LEU A  76
ALA A  82
 None
 1.13A 2jstA-2q62A:
undetectable
2jstB-2q62A:
undetectable		 2jstA-2q62A:
15.35
2jstB-2q62A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 ALA A  53
TRP A  35
LEU A  96
ALA A  64
 None
 1.17A 2jstA-2rttA:
undetectable
2jstB-2rttA:
undetectable		 2jstA-2rttA:
15.32
2jstB-2rttA:
15.32
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.
2w18 PARTNER AND
LOCALIZER OF BRCA2

(Homo sapiens) 		PF16756
(PALB2_WD40) 		4 ALA A1130
TRP A1140
LEU A1142
ALA A1129
 None
 1.23A 2jstA-2w18A:
undetectable
2jstB-2w18A:
undetectable		 2jstA-2w18A:
11.54
2jstB-2w18A:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w1p
AQUAPORIN PIP2-7 7

(Komagataella
pastoris) 		PF00230
(MIP) 		4 ALA A 122
TRP A 260
LEU A 184
ALA A 118
 None
 1.28A 2jstA-2w1pA:
undetectable
2jstB-2w1pA:
undetectable		 2jstA-2w1pA:
12.03
2jstB-2w1pA:
12.03
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TRP A 569
ALA A 419
TRP A 570
ALA A 420
 None
 1.17A 2jstA-2wskA:
undetectable
2jstB-2wskA:
undetectable		 2jstA-2wskA:
6.51
2jstB-2wskA:
6.51
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TRP A 570
ALA A 420
TRP A 569
ALA A 419
 None
 1.18A 2jstA-2wskA:
undetectable
2jstB-2wskA:
undetectable		 2jstA-2wskA:
6.51
2jstB-2wskA:
6.51
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.
2zw4 BLEOMYCIN
ACETYLTRANSFERASE

(Streptomyces
verticillus) 		PF13302
(Acetyltransf_3) 		4 ALA A 113
TRP A  97
LEU A  98
ALA A 112
 None
COA  A 401 (-4.3A)
COA  A 401 ( 4.5A)
None
 1.23A 2jstA-2zw4A:
undetectable
2jstB-2zw4A:
undetectable		 2jstA-2zw4A:
12.46
2jstB-2zw4A:
12.46
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		4 ALA A  94
TRP A  74
LEU A  71
ALA A 139
 None
 1.05A 2jstA-3a1iA:
undetectable
2jstB-3a1iA:
undetectable		 2jstA-3a1iA:
7.68
2jstB-3a1iA:
7.68
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 ALA A 654
TRP A 621
LEU A 623
ALA A 655
 None
LOP  A 810 (-3.6A)
None
HEM  A 802 (-3.4A)
 1.31A 2jstA-3ayfA:
4.6
2jstB-3ayfA:
4.6		 2jstA-3ayfA:
5.53
2jstB-3ayfA:
5.53
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ALA B  56
TRP A 188
LEU A 180
ALA B  57
 None
 1.17A 2jstA-3ayxB:
undetectable
2jstB-3ayxB:
undetectable		 2jstA-3ayxB:
16.67
2jstB-3ayxB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djm UNCHARACTERIZED
PROTEIN DUF427

(Rhodobacter
sphaeroides) 		PF04248
(NTP_transf_9) 		4 ALA A 106
TRP A  87
LEU A 103
ALA A  85
 None
 1.28A 2jstA-3djmA:
undetectable
2jstB-3djmA:
undetectable		 2jstA-3djmA:
19.66
2jstB-3djmA:
19.66
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.
3fz5 POSSIBLE
2-HYDROXYCHROMENE-2-
CARBOXYLATE
ISOMERASE

(Rhodobacter
sphaeroides) 		PF01323
(DSBA) 		4 ALA A 109
TRP A  35
LEU A  34
ALA A 105
 None
 1.23A 2jstA-3fz5A:
undetectable
2jstB-3fz5A:
undetectable		 2jstA-3fz5A:
13.07
2jstB-3fz5A:
13.07
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 ALA A 360
TRP A 333
LEU A 392
ALA A 361
 None
 1.18A 2jstA-3gycA:
undetectable
2jstB-3gycA:
undetectable		 2jstA-3gycA:
11.45
2jstB-3gycA:
11.45
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		4 ALA A 172
TRP A 189
LEU A 163
ALA A 169
 None
 1.29A 2jstA-3h0uA:
undetectable
2jstB-3h0uA:
undetectable		 2jstA-3h0uA:
13.72
2jstB-3h0uA:
13.72
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.
3i45 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		4 ALA A 137
TRP A 145
LEU A 167
ALA A 138
 None
 1.01A 2jstA-3i45A:
undetectable
2jstB-3i45A:
undetectable		 2jstA-3i45A:
10.30
2jstB-3i45A:
10.30
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.
3jd5 28S RIBOSOMAL
PROTEIN S5,
MITOCHONDRIAL
PENTATRICOPEPTIDE
REPEAT
DOMAIN-CONTAINING
PROTEIN 3,
MITOCHONDRIAL

(Bos taurus) 		PF00312
(Ribosomal_S15)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 TRP E 141
ALA o 117
LEU E 144
ALA o 116
 None
 1.32A 2jstA-3jd5E:
undetectable
2jstB-3jd5E:
undetectable		 2jstA-3jd5E:
9.85
2jstB-3jd5E:
9.85
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ALA A  49
TRP B1172
LEU B1164
ALA A  50
 None
 1.30A 2jstA-3myrA:
undetectable
2jstB-3myrA:
undetectable		 2jstA-3myrA:
12.92
2jstB-3myrA:
12.92
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 TRP B1172
ALA A  50
LEU B1164
ALA A  49
 None
 1.01A 2jstA-3myrB:
undetectable
2jstB-3myrB:
undetectable		 2jstA-3myrB:
9.55
2jstB-3myrB:
9.55
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.
3pic CIP2

(Trichoderma
reesei) 		no annotation 4 ALA A 304
TRP A 310
LEU A 357
ALA A 308
 None
 1.23A 2jstA-3picA:
undetectable
2jstB-3picA:
undetectable		 2jstA-3picA:
10.12
2jstB-3picA:
10.12
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.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		4 TRP A 298
ALA A 251
LEU A 279
ALA A 254
 None
 1.24A 2jstA-3pz9A:
undetectable
2jstB-3pz9A:
undetectable		 2jstA-3pz9A:
10.47
2jstB-3pz9A:
10.47
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.
3q54 OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Escherichia
coli) 		PF13360
(PQQ_2) 		4 TRP A 183
ALA A 206
LEU A 161
ALA A 207
 None
 1.31A 2jstA-3q54A:
undetectable
2jstB-3q54A:
undetectable		 2jstA-3q54A:
11.21
2jstB-3q54A:
11.21
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		4 TRP A 172
ALA A 231
LEU A 137
ALA A 235
 None
 1.30A 2jstA-3qt3A:
undetectable
2jstB-3qt3A:
undetectable		 2jstA-3qt3A:
10.30
2jstB-3qt3A:
10.30
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.
3qyj ALR0039 PROTEIN

(Nostoc sp. PCC
7120) 		PF00561
(Abhydrolase_1) 		4 ALA A 214
TRP A 150
LEU A 153
ALA A 215
 None
 1.15A 2jstA-3qyjA:
undetectable
2jstB-3qyjA:
undetectable		 2jstA-3qyjA:
10.54
2jstB-3qyjA:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ryl PROTEIN VPA1370

(Vibrio
parahaemolyticus) 		no annotation 4 ALA A 381
TRP A 284
LEU A 374
ALA A 380
 None
 1.17A 2jstA-3rylA:
undetectable
2jstB-3rylA:
undetectable		 2jstA-3rylA:
15.06
2jstB-3rylA:
15.06
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.
3uaf TTR-52

(Caenorhabditis
elegans) 		PF01060
(TTR-52) 		4 ALA A  53
TRP A  48
LEU A  60
ALA A  52
 None
 0.89A 2jstA-3uafA:
undetectable
2jstB-3uafA:
undetectable		 2jstA-3uafA:
19.44
2jstB-3uafA:
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 TRP A  86
ALA A  46
LEU A  85
ALA A 143
 None
 1.32A 2jstA-3vvlA:
undetectable
2jstB-3vvlA:
undetectable		 2jstA-3vvlA:
9.23
2jstB-3vvlA:
9.23
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		4 TRP A 109
ALA A 111
LEU A 211
ALA A 112
 NHE  A 401 (-4.1A)
None
NHE  A 401 ( 4.2A)
None
 1.07A 2jstA-3wibA:
undetectable
2jstB-3wibA:
undetectable		 2jstA-3wibA:
12.65
2jstB-3wibA:
12.65
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		4 ALA A  87
TRP A 136
LEU A 133
ALA A  72
 None
 1.14A 2jstA-3wkhA:
undetectable
2jstB-3wkhA:
undetectable		 2jstA-3wkhA:
9.63
2jstB-3wkhA:
9.63
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.
3zm8 GH26
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF02156
(Glyco_hydro_26)
PF16990
(CBM_35) 		4 ALA A 359
TRP A 407
LEU A 408
ALA A 389
 None
 1.23A 2jstA-3zm8A:
undetectable
2jstB-3zm8A:
undetectable		 2jstA-3zm8A:
9.64
2jstB-3zm8A:
9.64
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.
4axk 1-(5-PHOSPHORIBOSYL)
-5-((5'-PHOSPHORIBOS
YLAMINO)
METHYLIDENEAMINO)IMI
DAZOLE-4-CARBOXAMIDE
ISOMERASE

(Corynebacterium
efficiens) 		PF00977
(His_biosynth) 		4 TRP A 112
ALA A 106
LEU A  89
ALA A 105
 None
 1.26A 2jstA-4axkA:
undetectable
2jstB-4axkA:
undetectable		 2jstA-4axkA:
14.92
2jstB-4axkA:
14.92
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 TRP A 187
ALA B  51
LEU A 179
ALA B  50
 None
 0.99A 2jstA-4c3oA:
undetectable
2jstB-4c3oA:
undetectable		 2jstA-4c3oA:
7.85
2jstB-4c3oA:
7.85
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 TRP A 910
ALA A 913
LEU A 909
ALA A 919
 None
 1.17A 2jstA-4d72A:
undetectable
2jstB-4d72A:
undetectable		 2jstA-4d72A:
8.53
2jstB-4d72A:
8.53
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.
4d9r COMPLEMENT FACTOR D

(Homo sapiens) 		PF00089
(Trypsin) 		4 ALA A 235
TRP A 124
LEU A 209
ALA A 232
 None
 1.30A 2jstA-4d9rA:
undetectable
2jstB-4d9rA:
undetectable		 2jstA-4d9rA:
13.66
2jstB-4d9rA:
13.66
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.
4djh KAPPA-TYPE OPIOID
RECEPTOR, LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TRP A1158
ALA A1098
LEU A 258
ALA A1097
 None
 1.16A 2jstA-4djhA:
undetectable
2jstB-4djhA:
undetectable		 2jstA-4djhA:
7.48
2jstB-4djhA:
7.48
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.
4f3v ESX-1 SECRETION
SYSTEM PROTEIN ECCA1

(Mycobacterium
tuberculosis) 		no annotation 4 ALA A 170
TRP A 137
LEU A 134
ALA A 171
 None
 1.35A 2jstA-4f3vA:
undetectable
2jstB-4f3vA:
undetectable		 2jstA-4f3vA:
14.29
2jstB-4f3vA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 ALA A 381
TRP A 373
LEU A 375
ALA A 382
 None
 1.29A 2jstA-4fddA:
undetectable
2jstB-4fddA:
undetectable		 2jstA-4fddA:
5.98
2jstB-4fddA:
5.98
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.
4g4s PROTEASOME CHAPERONE
1

(Saccharomyces
cerevisiae) 		PF10450
(POC1) 		4 TRP O 261
ALA O 267
LEU O 260
ALA O 266
 None
 1.05A 2jstA-4g4sO:
undetectable
2jstB-4g4sO:
undetectable		 2jstA-4g4sO:
12.04
2jstB-4g4sO:
12.04
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TRP A  66
ALA A  94
LEU A  86
ALA A  93
 None
 1.14A 2jstA-4gqaA:
undetectable
2jstB-4gqaA:
undetectable		 2jstA-4gqaA:
9.47
2jstB-4gqaA:
9.47
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.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		4 ALA A 419
TRP A 253
LEU A 252
ALA A 418
 None
 0.56A 2jstA-4h7nA:
undetectable
2jstB-4h7nA:
undetectable		 2jstA-4h7nA:
10.53
2jstB-4h7nA:
10.53
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.
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio cholerae) 		PF00072
(Response_reg) 		4 ALA A 101
TRP A  61
LEU A  71
ALA A 104
 None
 1.08A 2jstA-4hnsA:
undetectable
2jstB-4hnsA:
undetectable		 2jstA-4hnsA:
21.19
2jstB-4hnsA:
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		4 ALA A  41
TRP A  38
LEU A  34
ALA A  40
 None
 1.23A 2jstA-4ia4A:
undetectable
2jstB-4ia4A:
undetectable		 2jstA-4ia4A:
13.60
2jstB-4ia4A:
13.60
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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 ALA A 230
TRP A 118
LEU A 114
ALA A 231
 None
 1.19A 2jstA-4idmA:
undetectable
2jstB-4idmA:
undetectable		 2jstA-4idmA:
7.87
2jstB-4idmA:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 114
TRP A 570
LEU A 569
ALA A 594
 None
 1.30A 2jstA-4iigA:
undetectable
2jstB-4iigA:
undetectable		 2jstA-4iigA:
6.15
2jstB-4iigA:
6.15
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.
4nvr PUTATIVE
ACYLTRANSFERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 ALA A 226
TRP A 162
LEU A 165
ALA A 227
 None
 1.16A 2jstA-4nvrA:
undetectable
2jstB-4nvrA:
undetectable		 2jstA-4nvrA:
11.18
2jstB-4nvrA:
11.18
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.
4pts GLUTATHIONE
S-TRANSFERASE

(Gordonia
bronchialis) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TRP A  89
ALA A  59
LEU A 107
ALA A  53
 None
 1.29A 2jstA-4ptsA:
undetectable
2jstB-4ptsA:
undetectable		 2jstA-4ptsA:
13.28
2jstB-4ptsA:
13.28
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 TRP A 200
ALA A 195
LEU A 203
ALA A 163
 None
 1.29A 2jstA-4qhrA:
undetectable
2jstB-4qhrA:
undetectable		 2jstA-4qhrA:
10.66
2jstB-4qhrA:
10.66
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.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		4 ALA A 304
TRP A 447
LEU A 446
ALA A 305
 None
 1.04A 2jstA-4w6vA:
undetectable
2jstB-4w6vA:
undetectable		 2jstA-4w6vA:
7.89
2jstB-4w6vA:
7.89
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.
4wl2 PUTATIVE EXPORTED
CHOLOYLGLYCINE
HYDROLASE

(Pectobacterium
atrosepticum) 		PF02275
(CBAH) 		4 ALA A 339
TRP A  32
LEU A  31
ALA A 316
 None
 1.14A 2jstA-4wl2A:
undetectable
2jstB-4wl2A:
undetectable		 2jstA-4wl2A:
10.67
2jstB-4wl2A:
10.67
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.
4wq5 TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAB

(Escherichia
coli) 		PF00814
(Peptidase_M22) 		4 TRP C 124
ALA C 113
LEU C 144
ALA C 114
 None
 1.35A 2jstA-4wq5C:
undetectable
2jstB-4wq5C:
undetectable		 2jstA-4wq5C:
15.42
2jstB-4wq5C:
15.42
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 ALA A 181
TRP A 218
LEU A 216
ALA A 173
 None
GAL  A 401 (-3.6A)
None
None
 1.22A 2jstA-4wwhA:
undetectable
2jstB-4wwhA:
undetectable		 2jstA-4wwhA:
11.71
2jstB-4wwhA:
11.71
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.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 TRP A 168
ALA A 161
LEU A 431
ALA A 403
 None
NAD  A 501 (-3.5A)
None
None
 1.14A 2jstA-4xqeA:
undetectable
2jstB-4xqeA:
undetectable		 2jstA-4xqeA:
8.51
2jstB-4xqeA:
8.51
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		4 TRP A 125
ALA A 114
LEU A 144
ALA A 115
 None
 1.35A 2jstA-4y0wA:
undetectable
2jstB-4y0wA:
undetectable		 2jstA-4y0wA:
14.22
2jstB-4y0wA:
14.22
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.
5b3v BILIVERDIN REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 TRP B  63
ALA B  91
LEU B  83
ALA B  90
 None
 1.03A 2jstA-5b3vB:
undetectable
2jstB-5b3vB:
undetectable		 2jstA-5b3vB:
12.17
2jstB-5b3vB:
12.17
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		4 TRP B 336
ALA B 352
LEU B 325
ALA B 347
 None
 1.29A 2jstA-5b4xB:
undetectable
2jstB-5b4xB:
undetectable		 2jstA-5b4xB:
8.76
2jstB-5b4xB:
8.76
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ALA A 285
TRP A 226
LEU A 267
ALA A 289
 None
 1.17A 2jstA-5d6nA:
undetectable
2jstB-5d6nA:
undetectable		 2jstA-5d6nA:
8.57
2jstB-5d6nA:
8.57
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ALA A 285
TRP A 226
LEU A 267
ALA A 289
 None
 1.07A 2jstA-5ey8A:
undetectable
2jstB-5ey8A:
undetectable		 2jstA-5ey8A:
6.94
2jstB-5ey8A:
6.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		4 ALA A 284
TRP A 225
LEU A 266
ALA A 288
 None
 0.99A 2jstA-5ey9A:
undetectable
2jstB-5ey9A:
undetectable		 2jstA-5ey9A:
8.02
2jstB-5ey9A:
8.02
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 115
TRP A 571
LEU A 570
ALA A 595
 None
 1.29A 2jstA-5fjjA:
undetectable
2jstB-5fjjA:
undetectable		 2jstA-5fjjA:
6.40
2jstB-5fjjA:
6.40
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.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 4 TRP C 110
ALA C 247
LEU C 109
ALA C 275
 None
 1.22A 2jstA-5gp4C:
undetectable
2jstB-5gp4C:
undetectable		 2jstA-5gp4C:
8.41
2jstB-5gp4C:
8.41
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 TRP A 354
ALA A 346
LEU A 358
ALA A 382
 None
 1.30A 2jstA-5i67A:
undetectable
2jstB-5i67A:
undetectable		 2jstA-5i67A:
9.19
2jstB-5i67A:
9.19
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 TRP A 193
ALA A 130
LEU A 178
ALA A 165
 None
 1.35A 2jstA-5iqkA:
undetectable
2jstB-5iqkA:
undetectable		 2jstA-5iqkA:
15.57
2jstB-5iqkA:
15.57
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.
5j8q CYSTEINE DESULFURASE
SUFS

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		4 TRP A 128
ALA A 131
LEU A  96
ALA A 104
 None
 1.21A 2jstA-5j8qA:
undetectable
2jstB-5j8qA:
undetectable		 2jstA-5j8qA:
9.75
2jstB-5j8qA:
9.75
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		4 ALA A  80
TRP A  76
LEU A  75
ALA A  81
 None
 1.20A 2jstA-5kteA:
undetectable
2jstB-5kteA:
undetectable		 2jstA-5kteA:
8.63
2jstB-5kteA:
8.63
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		4 ALA A 297
TRP A 277
LEU A 274
ALA A 300
 None
 1.08A 2jstA-5t6oA:
undetectable
2jstB-5t6oA:
undetectable		 2jstA-5t6oA:
9.77
2jstB-5t6oA:
9.77
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 TRP A 669
ALA A 729
LEU A 672
ALA A 728
 None
 0.92A 2jstA-5um6A:
undetectable
2jstB-5um6A:
undetectable		 2jstA-5um6A:
4.69
2jstB-5um6A:
4.69
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.
5vip MDCE

(Pseudomonas
aeruginosa) 		PF06833
(MdcE) 		4 ALA A  72
TRP A  69
LEU A  66
ALA A  73
 None
 1.23A 2jstA-5vipA:
undetectable
2jstB-5vipA:
undetectable		 2jstA-5vipA:
12.90
2jstB-5vipA:
12.90
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.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ALA A  90
TRP A 105
LEU A 102
ALA A 133
 None
 1.28A 2jstA-5vl1A:
undetectable
2jstB-5vl1A:
undetectable		 2jstA-5vl1A:
8.65
2jstB-5vl1A:
8.65
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.
5wyr TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Pseudomonas
aeruginosa) 		no annotation 4 ALA A  81
TRP A  40
LEU A  75
ALA A  82
 None
 1.28A 2jstA-5wyrA:
undetectable
2jstB-5wyrA:
undetectable		 2jstA-5wyrA:
21.59
2jstB-5wyrA:
21.59
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.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN

(Pyrococcus
horikoshii) 		no annotation 4 ALA A 230
TRP A 415
LEU A 417
ALA A 231
 None
 1.29A 2jstA-5x09A:
undetectable
2jstB-5x09A:
undetectable		 2jstA-5x09A:
6.90
2jstB-5x09A:
6.90
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 4 TRP A  67
ALA A  95
LEU A  87
ALA A  94
 None
None
NAI  A 401 (-4.8A)
None
 1.08A 2jstA-5yapA:
undetectable
2jstB-5yapA:
undetectable		 2jstA-5yapA:
22.22
2jstB-5yapA:
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.
6ckc METHYLOSOME PROTEIN
50

(Homo sapiens) 		no annotation 4 ALA B  23
TRP B  59
LEU B  58
ALA B  75
 None
 1.11A 2jstA-6ckcB:
undetectable
2jstB-6ckcB:
undetectable		 2jstA-6ckcB:
24.39
2jstB-6ckcB:
24.39
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.
6ejf -

(-) 		no annotation 4 TRP J 291
ALA J 272
LEU J 246
ALA J 250
 None
 1.30A 2jstA-6ejfJ:
undetectable
2jstB-6ejfJ:
undetectable		 2jstA-6ejfJ:
undetectable
2jstB-6ejfJ:
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.
6fhs ARP5

(Chaetomium
thermophilum) 		no annotation 4 TRP J 735
ALA J 743
LEU J 764
ALA J 744
 None
 1.07A 2jstA-6fhsJ:
undetectable
2jstB-6fhsJ:
undetectable		 2jstA-6fhsJ:
19.05
2jstB-6fhsJ:
19.05