SIMILAR PATTERNS OF AMINO ACIDS FOR 6GTQ_B_ACTB207

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.
1b0u HISTIDINE PERMEASE

(Salmonella
enterica) 		PF00005
(ABC_tran) 		4 LEU A  80
GLY A  78
ARG A  74
ARG A  15
 None
 1.14A 6gtqB-1b0uA:
0.0
6gtqD-1b0uA:
undetectable		 6gtqB-1b0uA:
21.64
6gtqD-1b0uA:
14.71
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.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		4 LEU A 474
THR A 477
GLY A 324
ARG A 322
 None
 1.16A 6gtqB-1btcA:
0.0
6gtqD-1btcA:
undetectable		 6gtqB-1btcA:
16.33
6gtqD-1btcA:
7.01
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		4 LEU A 139
THR A 135
GLY A 133
ARG A 100
 None
 1.10A 6gtqB-1bueA:
0.0
6gtqD-1bueA:
undetectable		 6gtqB-1bueA:
20.82
6gtqD-1bueA:
9.54
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.
1ei5 D-AMINOPEPTIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase)
PF07930
(DAP_B) 		4 LEU A 509
THR A 375
CYH A 507
GLY A 486
 None
 0.98A 6gtqB-1ei5A:
undetectable
6gtqD-1ei5A:
undetectable		 6gtqB-1ei5A:
18.30
6gtqD-1ei5A:
6.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fnf FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3) 		4 LEU A1297
THR A1325
GLY A1300
ARG A1351
 None
 1.09A 6gtqB-1fnfA:
0.0
6gtqD-1fnfA:
undetectable		 6gtqB-1fnfA:
19.06
6gtqD-1fnfA:
13.11
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 LEU A 125
THR A 101
GLY A 100
ARG A  58
 None
 1.27A 6gtqB-1hkhA:
0.0
6gtqD-1hkhA:
undetectable		 6gtqB-1hkhA:
19.78
6gtqD-1hkhA:
10.09
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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		4 LEU A 269
CYH A 270
GLY A 275
ARG A 253
 None
 1.15A 6gtqB-1hl2A:
0.3
6gtqD-1hl2A:
undetectable		 6gtqB-1hl2A:
23.83
6gtqD-1hl2A:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		4 LEU A  40
CYH A 147
GLY A 174
ARG A  47
 None
 1.26A 6gtqB-1ihoA:
0.0
6gtqD-1ihoA:
undetectable		 6gtqB-1ihoA:
19.65
6gtqD-1ihoA:
11.39
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 LEU X  46
THR X  49
GLY X  48
ARG X 150
 None
 1.16A 6gtqB-1ogoX:
0.0
6gtqD-1ogoX:
undetectable		 6gtqB-1ogoX:
13.82
6gtqD-1ogoX:
5.67
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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		4 LEU A 197
CYH A 193
GLY A 200
ARG A 263
 None
 1.36A 6gtqB-1q5mA:
undetectable
6gtqD-1q5mA:
undetectable		 6gtqB-1q5mA:
18.38
6gtqD-1q5mA:
11.58
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		4 LEU A 241
CYH C 100
GLY A 244
ARG A 248
 None
FES  C1907 (-2.1A)
PCD  A1920 (-3.6A)
None
 1.19A 6gtqB-1sb3A:
undetectable
6gtqD-1sb3A:
undetectable		 6gtqB-1sb3A:
12.95
6gtqD-1sb3A:
5.51
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		4 LEU A  46
THR A  44
CYH A  47
GLY A  40
 None
None
FES  A 638 (-2.2A)
None
 1.18A 6gtqB-1su7A:
undetectable
6gtqD-1su7A:
undetectable		 6gtqB-1su7A:
13.25
6gtqD-1su7A:
5.85
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		4 LEU A 136
THR A 126
GLY A 134
ARG A 166
 None
 0.84A 6gtqB-1vi1A:
0.7
6gtqD-1vi1A:
undetectable		 6gtqB-1vi1A:
20.76
6gtqD-1vi1A:
8.88
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.
1x0t RIBONUCLEASE P
PROTEIN COMPONENT 4

(Pyrococcus
horikoshii) 		PF04032
(Rpr2) 		4 THR A  96
CYH A  68
GLY A 101
ARG A  70
 None
ZN  A 150 (-2.3A)
None
None
 1.12A 6gtqB-1x0tA:
undetectable
6gtqD-1x0tA:
undetectable		 6gtqB-1x0tA:
17.88
6gtqD-1x0tA:
15.00
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.
2am4 ALPHA-1,3-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Oryctolagus
cuniculus) 		PF03071
(GNT-I) 		4 LEU A 214
THR A 315
GLY A 317
ARG A 117
 None
None
MN  A 448 ( 4.8A)
U2F  A 449 (-2.9A)
 1.13A 6gtqB-2am4A:
0.4
6gtqD-2am4A:
undetectable		 6gtqB-2am4A:
21.60
6gtqD-2am4A:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fbe PREDICTED: SIMILAR
TO RET FINGER
PROTEIN-LIKE 1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 LEU A  55
THR A  18
ARG A  88
ARG A  59
 None
 1.21A 6gtqB-2fbeA:
undetectable
6gtqD-2fbeA:
undetectable		 6gtqB-2fbeA:
22.60
6gtqD-2fbeA:
12.63
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.
2fef HYPOTHETICAL PROTEIN
PA2201

(Pseudomonas
aeruginosa) 		PF08929
(DUF1911) 		4 LEU A 100
GLY A  94
ARG A  30
ARG A  27
 None
 1.36A 6gtqB-2fefA:
undetectable
6gtqD-2fefA:
undetectable		 6gtqB-2fefA:
21.33
6gtqD-2fefA:
11.24
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.
2i6e HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02621
(VitK2_biosynth) 		4 LEU A  54
GLY A  57
ARG A 210
ARG A  18
 None
 1.12A 6gtqB-2i6eA:
undetectable
6gtqD-2i6eA:
undetectable		 6gtqB-2i6eA:
22.37
6gtqD-2i6eA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		4 LEU D  36
THR D  31
GLY D  33
ARG D  28
 None
 1.27A 6gtqB-2j5gD:
undetectable
6gtqD-2j5gD:
undetectable		 6gtqB-2j5gD:
21.64
6gtqD-2j5gD:
12.16
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.
2lnb Z-DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF02295
(z-alpha) 		4 LEU A  74
THR A  29
CYH A  73
GLY A  32
 None
 1.08A 6gtqB-2lnbA:
undetectable
6gtqD-2lnbA:
undetectable		 6gtqB-2lnbA:
20.79
6gtqD-2lnbA:
22.08
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.
2o5v DNA REPLICATION AND
REPAIR PROTEIN RECF

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		4 LEU A  17
THR A  11
GLY A  20
ARG A 344
 None
 1.22A 6gtqB-2o5vA:
undetectable
6gtqD-2o5vA:
undetectable		 6gtqB-2o5vA:
20.11
6gtqD-2o5vA:
8.22
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.
2rsq COPPER CHAPERONE FOR
SUPEROXIDE DISMUTASE

(Homo sapiens) 		PF00403
(HMA) 		4 LEU A  11
THR A  56
CYH A  12
GLY A   9
 None
 1.31A 6gtqB-2rsqA:
undetectable
6gtqD-2rsqA:
undetectable		 6gtqB-2rsqA:
20.99
6gtqD-2rsqA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 LEU A 327
THR A 324
GLY A 313
ARG A 627
 None
 1.20A 6gtqB-2xpzA:
undetectable
6gtqD-2xpzA:
undetectable		 6gtqB-2xpzA:
16.94
6gtqD-2xpzA:
5.38
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.
2y7d 3-KETO-5-AMINOHEXANO
ATE CLEAVAGE ENZYME

(Candidatus
Cloacimonas
acidaminovorans) 		PF05853
(BKACE) 		4 LEU A  23
THR A  11
GLY A  12
ARG A  50
 None
 1.12A 6gtqB-2y7dA:
undetectable
6gtqD-2y7dA:
undetectable		 6gtqB-2y7dA:
19.72
6gtqD-2y7dA:
11.64
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 CYH A 879
GLY A 148
ARG A 105
ARG A 865
 None
 1.28A 6gtqB-2y8nA:
undetectable
6gtqD-2y8nA:
undetectable		 6gtqB-2y8nA:
11.39
6gtqD-2y8nA:
3.80
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		4 LEU C 165
THR C 208
GLY C 205
ARG C 227
 None
 1.34A 6gtqB-2ynmC:
undetectable
6gtqD-2ynmC:
undetectable		 6gtqB-2ynmC:
20.30
6gtqD-2ynmC:
10.65
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		4 LEU A  67
THR A  63
GLY A  65
ARG A  33
 None
 1.28A 6gtqB-2zzwA:
undetectable
6gtqD-2zzwA:
undetectable		 6gtqB-2zzwA:
18.01
6gtqD-2zzwA:
8.36
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		4 LEU A  29
THR A  27
GLY A 221
ARG A 277
 None
None
None
FNR  A 669 (-2.8A)
 1.36A 6gtqB-3b05A:
undetectable
6gtqD-3b05A:
undetectable		 6gtqB-3b05A:
18.48
6gtqD-3b05A:
9.09
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.
3b4y PROBABLE
F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE FGD1

(Mycobacterium
tuberculosis) 		PF00296
(Bac_luciferase) 		4 LEU A  96
THR A  59
GLY A  62
ARG A 100
 CSO  A  95 ( 4.3A)
None
None
None
 1.30A 6gtqB-3b4yA:
undetectable
6gtqD-3b4yA:
undetectable		 6gtqB-3b4yA:
19.60
6gtqD-3b4yA:
9.22
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.
3bch 40S RIBOSOMAL
PROTEIN SA

(Homo sapiens) 		PF00318
(Ribosomal_S2)
PF16122
(40S_SA_C) 		4 LEU A 183
THR A 188
GLY A 187
ARG A 191
 None
 1.11A 6gtqB-3bchA:
undetectable
6gtqD-3bchA:
undetectable		 6gtqB-3bchA:
20.93
6gtqD-3bchA:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bib T-CELL
IMMUNOGLOBULIN AND
MUCIN
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		PF07686
(V-set) 		4 LEU X 109
THR X  80
GLY X  11
ARG X 111
 None
 1.03A 6gtqB-3bibX:
undetectable
6gtqD-3bibX:
undetectable		 6gtqB-3bibX:
18.56
6gtqD-3bibX:
15.52
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 LEU A  26
THR A  14
GLY A  15
ARG A  53
 None
None
ZN  A 311 ( 4.8A)
None
 1.30A 6gtqB-3e02A:
0.0
6gtqD-3e02A:
undetectable		 6gtqB-3e02A:
21.54
6gtqD-3e02A:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 LEU A  26
THR A  14
GLY A  15
ARG A  53
 None
None
ZN  A 500 ( 4.7A)
None
 1.29A 6gtqB-3e49A:
undetectable
6gtqD-3e49A:
undetectable		 6gtqB-3e49A:
21.43
6gtqD-3e49A:
10.03
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.
3e9k KYNURENINASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 LEU A 403
THR A 365
GLY A 366
ARG A 399
 None
 1.31A 6gtqB-3e9kA:
undetectable
6gtqD-3e9kA:
undetectable		 6gtqB-3e9kA:
18.61
6gtqD-3e9kA:
8.72
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.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 252
THR A 249
GLY A 247
ARG A 208
 None
 1.16A 6gtqB-3g8dA:
undetectable
6gtqD-3g8dA:
undetectable		 6gtqB-3g8dA:
17.34
6gtqD-3g8dA:
8.47
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.
3guz PANTOTHENATE
SYNTHETASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		4 LEU A  40
CYH A 147
GLY A 174
ARG A  47
 PAF  A 178 ( 4.7A)
None
None
None
 1.29A 6gtqB-3guzA:
undetectable
6gtqD-3guzA:
undetectable		 6gtqB-3guzA:
21.32
6gtqD-3guzA:
14.71
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.
3hqi SPECKLE-TYPE POZ
PROTEIN

(Homo sapiens) 		PF00651
(BTB)
PF00917
(MATH) 		4 LEU A 282
GLY A 261
ARG A 221
ARG A 284
 None
 1.16A 6gtqB-3hqiA:
undetectable
6gtqD-3hqiA:
undetectable		 6gtqB-3hqiA:
18.59
6gtqD-3hqiA:
8.75
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.
3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00497
(SBP_bac_3) 		4 LEU A 106
GLY A 109
ARG A 231
ARG A  54
 None
 0.85A 6gtqB-3i6vA:
undetectable
6gtqD-3i6vA:
undetectable		 6gtqB-3i6vA:
24.78
6gtqD-3i6vA:
13.74
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 LEU E 418
THR E 416
GLY E 412
ARG E 167
 None
 1.08A 6gtqB-3kfuE:
undetectable
6gtqD-3kfuE:
undetectable		 6gtqB-3kfuE:
18.03
6gtqD-3kfuE:
8.93
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.
3kw0 CYSTEINE PEPTIDASE

(Bacillus cereus) 		PF05708
(Peptidase_C92) 		4 LEU A  28
THR A  50
CYH A  29
GLY A  51
 None
 1.35A 6gtqB-3kw0A:
undetectable
6gtqD-3kw0A:
undetectable		 6gtqB-3kw0A:
20.70
6gtqD-3kw0A:
10.28
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		4 LEU A 192
THR A 204
GLY A 245
ARG A 196
 None
 1.25A 6gtqB-3l12A:
undetectable
6gtqD-3l12A:
undetectable		 6gtqB-3l12A:
19.94
6gtqD-3l12A:
8.79
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.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		4 LEU A  40
CYH A 147
GLY A 174
ARG A  47
 None
 1.27A 6gtqB-3mueA:
undetectable
6gtqD-3mueA:
undetectable		 6gtqB-3mueA:
20.70
6gtqD-3mueA:
12.01
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.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 LEU A 259
CYH A 258
ARG A 211
ARG A 152
 None
NAD  A 500 (-3.5A)
None
None
 1.30A 6gtqB-3ojlA:
undetectable
6gtqD-3ojlA:
undetectable		 6gtqB-3ojlA:
17.40
6gtqD-3ojlA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		4 LEU B  81
THR B  88
GLY B  83
ARG B 379
 None
 1.20A 6gtqB-3pr2B:
undetectable
6gtqD-3pr2B:
undetectable		 6gtqB-3pr2B:
20.87
6gtqD-3pr2B:
12.28
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.
3rfn BB_1WNU_001

(Pyrococcus
horikoshii) 		no annotation 4 LEU A 150
THR A   8
GLY A  40
ARG A 133
 None
 1.36A 6gtqB-3rfnA:
undetectable
6gtqD-3rfnA:
undetectable		 6gtqB-3rfnA:
21.35
6gtqD-3rfnA:
12.58
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.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		4 LEU A 164
THR A  65
GLY A 222
ARG A 137
 None
 1.39A 6gtqB-3rjuA:
undetectable
6gtqD-3rjuA:
undetectable		 6gtqB-3rjuA:
19.24
6gtqD-3rjuA:
10.58
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.
3slr UNCHARACTERIZED
PROTEIN BF1531

(Bacteroides
fragilis) 		no annotation 4 LEU A 173
CYH A 171
GLY A 175
ARG A 209
 None
 1.31A 6gtqB-3slrA:
undetectable
6gtqD-3slrA:
undetectable		 6gtqB-3slrA:
19.11
6gtqD-3slrA:
11.15
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.
3tfx OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Lactobacillus
acidophilus) 		PF00215
(OMPdecase) 		4 LEU A 219
THR A 218
GLY A 214
ARG A 185
 None
 0.80A 6gtqB-3tfxA:
0.0
6gtqD-3tfxA:
undetectable		 6gtqB-3tfxA:
21.01
6gtqD-3tfxA:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3q ALANINE RACEMASE 1

(Staphylococcus
aureus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A 280
THR A 315
GLY A 283
ARG A   7
 None
 0.93A 6gtqB-4a3qA:
undetectable
6gtqD-4a3qA:
undetectable		 6gtqB-4a3qA:
17.11
6gtqD-4a3qA:
8.87
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 LEU A 348
THR A 345
CYH A 349
GLY A 344
 None
 1.30A 6gtqB-4aovA:
undetectable
6gtqD-4aovA:
undetectable		 6gtqB-4aovA:
18.66
6gtqD-4aovA:
8.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 LEU A 466
THR A 596
GLY A 603
ARG A 520
 None
 1.35A 6gtqB-4cakA:
undetectable
6gtqD-4cakA:
undetectable		 6gtqB-4cakA:
11.00
6gtqD-4cakA:
4.36
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.
4d7l PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Corynebacterium
diphtheriae) 		PF01625
(PMSR) 		4 LEU A 177
THR A 182
GLY A  75
ARG A 136
 None
 1.27A 6gtqB-4d7lA:
undetectable
6gtqD-4d7lA:
undetectable		 6gtqB-4d7lA:
21.54
6gtqD-4d7lA:
10.75
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.
4eoz SPECKLE-TYPE POZ
PROTEIN

(Homo sapiens) 		PF00651
(BTB) 		4 LEU A 282
GLY A 261
ARG A 221
ARG A 284
 None
 1.29A 6gtqB-4eozA:
undetectable
6gtqD-4eozA:
undetectable		 6gtqB-4eozA:
22.28
6gtqD-4eozA:
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 LEU B 743
THR B 747
CYH B 742
GLY B 749
 None
 1.07A 6gtqB-4f92B:
undetectable
6gtqD-4f92B:
undetectable		 6gtqB-4f92B:
7.63
6gtqD-4f92B:
3.01
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.
4grh AMINODEOXYCHORISMATE
SYNTHASE

(Stenotrophomonas
maltophilia) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 THR A 367
CYH A 369
GLY A 364
ARG A 310
 None
 0.94A 6gtqB-4grhA:
undetectable
6gtqD-4grhA:
undetectable		 6gtqB-4grhA:
16.38
6gtqD-4grhA:
8.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjj ANTI-IL12 ANTI-IL18
DFAB HEAVY CHAIN
ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 159
THR H 232
GLY H 225
ARG H 223
 None
 1.28A 6gtqB-4hjjL:
undetectable
6gtqD-4hjjL:
undetectable		 6gtqB-4hjjL:
19.15
6gtqD-4hjjL:
8.92
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.
4htg PORPHOBILINOGEN
DEAMINASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 LEU A  81
GLY A  84
ARG A 218
ARG A  14
 None
 0.82A 6gtqB-4htgA:
undetectable
6gtqD-4htgA:
undetectable		 6gtqB-4htgA:
22.71
6gtqD-4htgA:
11.11
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.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		4 LEU A 693
THR A 696
CYH A 692
GLY A 708
 None
 0.89A 6gtqB-4i2wA:
undetectable
6gtqD-4i2wA:
undetectable		 6gtqB-4i2wA:
11.23
6gtqD-4i2wA:
4.39
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.
4j8z SPECKLE-TYPE POZ
PROTEIN

(Homo sapiens) 		PF00651
(BTB) 		4 LEU A 282
GLY A 261
ARG A 221
ARG A 284
 None
 1.35A 6gtqB-4j8zA:
undetectable
6gtqD-4j8zA:
undetectable		 6gtqB-4j8zA:
21.52
6gtqD-4j8zA:
14.07
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 4 LEU A 140
THR A 136
ARG A 123
ARG A  47
 None
 1.38A 6gtqB-4mfzA:
undetectable
6gtqD-4mfzA:
undetectable		 6gtqB-4mfzA:
19.41
6gtqD-4mfzA:
10.36
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 LEU B 224
THR B 220
GLY B 135
ARG B 377
 None
None
None
TRS  B 606 (-4.1A)
 1.36A 6gtqB-4ouaB:
undetectable
6gtqD-4ouaB:
undetectable		 6gtqB-4ouaB:
14.36
6gtqD-4ouaB:
6.46
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.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		4 LEU A 262
THR A 261
GLY A 255
ARG A 270
 None
 1.34A 6gtqB-4pcgA:
undetectable
6gtqD-4pcgA:
undetectable		 6gtqB-4pcgA:
25.09
6gtqD-4pcgA:
10.50
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.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		4 LEU A 259
THR A 258
GLY A 252
ARG A 267
 GOL  A 301 ( 4.7A)
None
None
None
 1.26A 6gtqB-4pchA:
undetectable
6gtqD-4pchA:
undetectable		 6gtqB-4pchA:
21.29
6gtqD-4pchA:
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		4 LEU A 742
THR A 688
CYH A 794
GLY A 746
 None
 1.40A 6gtqB-4ra7A:
undetectable
6gtqD-4ra7A:
undetectable		 6gtqB-4ra7A:
18.89
6gtqD-4ra7A:
7.69
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A3736
THR A3633
GLY A3244
ARG A3638
 None
 1.39A 6gtqB-4tktA:
undetectable
6gtqD-4tktA:
undetectable		 6gtqB-4tktA:
14.56
6gtqD-4tktA:
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 LEU A 159
THR A 131
GLY A 125
ARG A 180
 None
 1.26A 6gtqB-4tz5A:
undetectable
6gtqD-4tz5A:
undetectable		 6gtqB-4tz5A:
16.47
6gtqD-4tz5A:
6.64
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.
4wky BETA-KETOACYL
SYNTHASE

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 584
THR A 495
GLY A 119
ARG A 500
 None
 1.39A 6gtqB-4wkyA:
undetectable
6gtqD-4wkyA:
undetectable		 6gtqB-4wkyA:
15.94
6gtqD-4wkyA:
6.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyu PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		PF00595
(PDZ) 		4 LEU A 165
CYH A 199
GLY A 201
ARG A 166
 None
 1.39A 6gtqB-4wyuA:
undetectable
6gtqD-4wyuA:
undetectable		 6gtqB-4wyuA:
21.80
6gtqD-4wyuA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xd0 TDP-3-AMINOQUINOVOSE
-N-FORMYLTRANSFERASE

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N)
PF12796
(Ank_2) 		4 LEU A 369
THR A 339
GLY A 337
ARG A 333
 None
 1.30A 6gtqB-4xd0A:
undetectable
6gtqD-4xd0A:
undetectable		 6gtqB-4xd0A:
18.99
6gtqD-4xd0A:
7.23
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.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 LEU A 380
THR A 305
CYH A 382
GLY A 307
 None
None
None
ACP  A 502 (-3.5A)
 1.09A 6gtqB-4xz3A:
undetectable
6gtqD-4xz3A:
undetectable		 6gtqB-4xz3A:
16.03
6gtqD-4xz3A:
7.11
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 THR A 134
GLY A 384
ARG A  45
ARG A 347
 None
 1.31A 6gtqB-4yycA:
undetectable
6gtqD-4yycA:
undetectable		 6gtqB-4yycA:
16.95
6gtqD-4yycA:
6.74
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A2918
THR A2816
GLY A2427
ARG A2821
 None
 1.38A 6gtqB-4z37A:
undetectable
6gtqD-4z37A:
undetectable		 6gtqB-4z37A:
15.49
6gtqD-4z37A:
5.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A1166
THR A1037
GLY A 659
ARG A1042
 None
 1.35A 6gtqB-4zdnA:
undetectable
6gtqD-4zdnA:
undetectable		 6gtqB-4zdnA:
17.05
6gtqD-4zdnA:
5.71
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 324
GLY A 297
ARG A 254
ARG A 331
 None
 1.11A 6gtqB-4zo6A:
0.0
6gtqD-4zo6A:
undetectable		 6gtqB-4zo6A:
13.08
6gtqD-4zo6A:
5.51
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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		4 LEU A 197
THR A 196
GLY A 194
ARG A 200
 None
None
GXT  A1374 (-3.3A)
GXT  A1374 ( 3.1A)
 1.04A 6gtqB-5a8qA:
undetectable
6gtqD-5a8qA:
undetectable		 6gtqB-5a8qA:
19.94
6gtqD-5a8qA:
8.91
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.
5b19 ASPARTATE RACEMASE

(Picrophilus
torridus) 		PF01177
(Asp_Glu_race) 		4 THR A  16
CYH A  83
GLY A  10
ARG A  49
 None
TLA  A 301 (-3.1A)
None
TLA  A 301 (-3.8A)
 1.28A 6gtqB-5b19A:
undetectable
6gtqD-5b19A:
undetectable		 6gtqB-5b19A:
20.09
6gtqD-5b19A:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 LEU A1488
THR A1344
GLY A1339
ARG A1492
 None
 1.36A 6gtqB-5dotA:
undetectable
6gtqD-5dotA:
undetectable		 6gtqB-5dotA:
8.96
6gtqD-5dotA:
3.07
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 LEU A  62
THR A  59
CYH A  63
GLY A  58
 None
 1.00A 6gtqB-5du9A:
undetectable
6gtqD-5du9A:
undetectable		 6gtqB-5du9A:
17.37
6gtqD-5du9A:
14.36
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 578
THR A 477
GLY A 106
ARG A 482
 None
 1.38A 6gtqB-5e6kA:
undetectable
6gtqD-5e6kA:
undetectable		 6gtqB-5e6kA:
14.56
6gtqD-5e6kA:
5.51
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 LEU C 587
THR C 486
GLY C 111
ARG C 491
 None
 1.39A 6gtqB-5elpC:
undetectable
6gtqD-5elpC:
undetectable		 6gtqB-5elpC:
14.93
6gtqD-5elpC:
5.85
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 578
THR A 477
GLY A 106
ARG A 482
 None
 1.37A 6gtqB-5enyA:
undetectable
6gtqD-5enyA:
undetectable		 6gtqB-5enyA:
14.95
6gtqD-5enyA:
5.78
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 603
THR A 501
GLY A 110
ARG A 506
 None
 1.30A 6gtqB-5erbA:
undetectable
6gtqD-5erbA:
undetectable		 6gtqB-5erbA:
15.31
6gtqD-5erbA:
6.54
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 LEU C 358
CYH C 696
GLY C 353
ARG C 440
 None
None
None
ACT  C1739 (-3.5A)
 1.32A 6gtqB-5g5gC:
0.3
6gtqD-5g5gC:
undetectable		 6gtqB-5g5gC:
13.70
6gtqD-5g5gC:
5.84
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		4 LEU A 146
THR A 154
GLY A 480
ARG A 477
 None
None
FAD  A 602 ( 3.2A)
SIN  A 601 ( 2.9A)
 1.37A 6gtqB-5glgA:
undetectable
6gtqD-5glgA:
undetectable		 6gtqB-5glgA:
19.57
6gtqD-5glgA:
6.24
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 LEU h 198
THR h 373
GLY h 200
ARG h 325
 None
 1.08A 6gtqB-5gw5h:
undetectable
6gtqD-5gw5h:
undetectable		 6gtqB-5gw5h:
16.05
6gtqD-5gw5h:
6.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		4 THR A 103
GLY A  76
ARG B 381
ARG A 234
 None
 1.25A 6gtqB-5hftA:
undetectable
6gtqD-5hftA:
undetectable		 6gtqB-5hftA:
18.08
6gtqD-5hftA:
8.24
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.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		4 LEU A 186
THR A  41
CYH A 185
GLY A  43
 None
 1.27A 6gtqB-5i20A:
undetectable
6gtqD-5i20A:
undetectable		 6gtqB-5i20A:
20.46
6gtqD-5i20A:
11.57
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.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C)
PF04390
(LptE) 		4 LEU A 506
GLY A 512
ARG A 515
ARG B 124
 None
 1.17A 6gtqB-5iv9A:
undetectable
6gtqD-5iv9A:
undetectable		 6gtqB-5iv9A:
12.90
6gtqD-5iv9A:
5.01
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.
5j7t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF12436
(USP7_ICP0_bdg) 		4 LEU A 258
THR A 247
GLY A 249
ARG A 543
 None
 1.36A 6gtqB-5j7tA:
undetectable
6gtqD-5j7tA:
undetectable		 6gtqB-5j7tA:
13.11
6gtqD-5j7tA:
5.64
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.
5kzm TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00291
(PALP) 		4 LEU B  80
THR B  87
GLY B  82
ARG B 378
 None
LLP  B  86 ( 4.4A)
None
None
 1.12A 6gtqB-5kzmB:
0.0
6gtqD-5kzmB:
undetectable		 6gtqB-5kzmB:
20.88
6gtqD-5kzmB:
7.41
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1

(Rhodococcus
jostii) 		PF00296
(Bac_luciferase) 		4 LEU A  95
THR A  58
GLY A  61
ARG A  99
 None
 1.34A 6gtqB-5lxeA:
undetectable
6gtqD-5lxeA:
undetectable		 6gtqB-5lxeA:
18.96
6gtqD-5lxeA:
9.28
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.
5mdu RPB7-BINDING PROTEIN
SEB1

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1) 		4 THR A 414
GLY A 412
ARG A 442
ARG A 472
 None
NA  A 603 ( 3.9A)
NA  A 603 (-3.7A)
NA  A 603 (-4.3A)
 1.39A 6gtqB-5mduA:
undetectable
6gtqD-5mduA:
undetectable		 6gtqB-5mduA:
22.22
6gtqD-5mduA:
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		4 LEU A 389
THR A 338
GLY A 290
ARG A 313
 None
 1.36A 6gtqB-5mscA:
undetectable
6gtqD-5mscA:
undetectable		 6gtqB-5mscA:
9.27
6gtqD-5mscA:
3.15
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.
5oce PHOSPHATIDYLINOSITOL
MANNOSIDE
ACYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 4 LEU A 189
THR A 230
GLY A 231
ARG A 118
 None
 1.17A 6gtqB-5oceA:
undetectable
6gtqD-5oceA:
undetectable		 6gtqB-5oceA:
undetectable
6gtqD-5oceA:
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.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		4 LEU A  99
CYH A  21
GLY A 148
ARG A  16
 None
 1.33A 6gtqB-5tgdA:
undetectable
6gtqD-5tgdA:
undetectable		 6gtqB-5tgdA:
19.70
6gtqD-5tgdA:
10.71
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 4 LEU A 252
THR A 274
GLY A 254
ARG A 276
 None
 1.33A 6gtqB-5ty7A:
undetectable
6gtqD-5ty7A:
undetectable		 6gtqB-5ty7A:
undetectable
6gtqD-5ty7A:
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		4 LEU A 369
THR A 339
GLY A 337
ARG A 333
 None
 1.30A 6gtqB-5uinA:
undetectable
6gtqD-5uinA:
undetectable		 6gtqB-5uinA:
18.64
6gtqD-5uinA:
8.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 4 LEU A 272
GLY A 190
ARG A 260
ARG A 268
 None
 1.34A 6gtqB-5veuA:
undetectable
6gtqD-5veuA:
undetectable		 6gtqB-5veuA:
18.11
6gtqD-5veuA:
7.33
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.
5wrr PSEUDOKINASE FAM20A

(Homo sapiens) 		PF06702
(Fam20C) 		4 LEU A 353
THR A 418
GLY A 421
ARG A 392
 None
 1.38A 6gtqB-5wrrA:
undetectable
6gtqD-5wrrA:
undetectable		 6gtqB-5wrrA:
15.83
6gtqD-5wrrA:
7.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xun ACETYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF13673
(Acetyltransf_10) 		4 LEU A  45
THR A  64
GLY A  95
ARG A  96
 None
None
ACO  A 201 (-4.8A)
None
 0.37A 6gtqB-5xunA:
23.9
6gtqD-5xunA:
undetectable		 6gtqB-5xunA:
65.73
6gtqD-5xunA:
14.53