SIMILAR PATTERNS OF AMINO ACIDS FOR 2QR2_B_VK3B236_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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  14
GLY A  17
PHE A 123
PHE A 115
 FAD  A 492 (-3.3A)
None
None
None
 0.93A 2qr2A-1aogA:
0.0
2qr2B-1aogA:
4.1		 2qr2A-1aogA:
19.03
2qr2B-1aogA:
19.03
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.
1bft NUCLEAR FACTOR
NF-KAPPA-B P65

(Mus musculus) 		PF16179
(RHD_dimer) 		4 TRP A 233
GLY A 208
GLY A 209
PHE A 228
 None
 1.05A 2qr2A-1bftA:
0.0
2qr2B-1bftA:
0.0		 2qr2A-1bftA:
18.94
2qr2B-1bftA:
18.94
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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		4 GLY A 249
GLY A 250
PHE A 233
PHE A  92
 None
 1.03A 2qr2A-1bw0A:
3.2
2qr2B-1bw0A:
3.2		 2qr2A-1bw0A:
20.38
2qr2B-1bw0A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cyn PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
B

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 GLY A  72
GLY A  73
PHE A  30
PHE A  44
 None
 0.81A 2qr2A-1cynA:
0.0
2qr2B-1cynA:
0.0		 2qr2A-1cynA:
23.21
2qr2B-1cynA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dju AROMATIC
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 GLY A  95
GLY A 243
PHE A 121
PHE A 100
 PLP  A 400 (-3.2A)
PLP  A 400 ( 4.9A)
PLP  A 400 (-3.7A)
None
 1.03A 2qr2A-1djuA:
2.3
2qr2B-1djuA:
2.3		 2qr2A-1djuA:
19.18
2qr2B-1djuA:
19.18
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.
1dy2 COLLAGEN ALPHA1(XV)
CHAIN

(Mus musculus) 		PF06482
(Endostatin) 		4 TRP A 155
GLY A 164
GLY A 163
PHE A 121
 None
 1.06A 2qr2A-1dy2A:
0.0
2qr2B-1dy2A:
0.0		 2qr2A-1dy2A:
22.05
2qr2B-1dy2A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 TRP A 465
GLY A 415
GLY A 416
PHE A 456
 None
 0.92A 2qr2A-1h39A:
0.0
2qr2B-1h39A:
0.0		 2qr2A-1h39A:
16.29
2qr2B-1h39A:
16.29
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.
1ist CYCLOPHILIN A

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase) 		4 GLY A  62
GLY A  63
PHE A  20
PHE A  34
 None
 0.83A 2qr2A-1istA:
undetectable
2qr2B-1istA:
undetectable		 2qr2A-1istA:
22.07
2qr2B-1istA:
22.07
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A 162
GLY A 163
PHE A 156
PHE A 201
 None
 1.06A 2qr2A-1khhA:
2.8
2qr2B-1khhA:
3.0		 2qr2A-1khhA:
22.73
2qr2B-1khhA:
22.73
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.
1mfa IGG1-LAMBDA SE155-4
FAB (HEAVY CHAIN)
IGG1-LAMBDA SE155-4
FAB (LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 TRP L  93
GLY H 350
GLY H 349
PHE H 309
 ABE  H 503 (-3.6A)
None
None
ABE  H 503 ( 4.3A)
 0.89A 2qr2A-1mfaL:
undetectable
2qr2B-1mfaL:
undetectable		 2qr2A-1mfaL:
22.32
2qr2B-1mfaL:
22.32
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.
1mo8 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
ALPHA-1

(Rattus
norvegicus) 		PF13246
(Cation_ATPase) 		4 TRP A 392
GLY A 546
GLY A 547
PHE A 538
 None
 1.05A 2qr2A-1mo8A:
undetectable
2qr2B-1mo8A:
undetectable		 2qr2A-1mo8A:
24.18
2qr2B-1mo8A:
24.18
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 GLY A  39
GLY A  38
PHE A 231
PHE A 229
 None
None
None
PCA  A   1 ( 4.4A)
 0.86A 2qr2A-1oseA:
undetectable
2qr2B-1oseA:
undetectable		 2qr2A-1oseA:
18.53
2qr2B-1oseA:
18.53
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.
1qnh PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		4 GLY A  71
GLY A  72
PHE A  23
PHE A  37
 None
 0.80A 2qr2A-1qnhA:
undetectable
2qr2B-1qnhA:
undetectable		 2qr2A-1qnhA:
21.76
2qr2B-1qnhA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 TRP A 395
GLY A  13
GLY A  12
PHE A 372
 None
 1.04A 2qr2A-1sqjA:
undetectable
2qr2B-1sqjA:
undetectable		 2qr2A-1sqjA:
14.36
2qr2B-1sqjA:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  13
GLY A  16
PHE A 122
PHE A 114
 FAD  A 493 (-3.2A)
None
None
None
 0.93A 2qr2A-1typA:
undetectable
2qr2B-1typA:
undetectable		 2qr2A-1typA:
20.51
2qr2B-1typA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		4 GLY A  33
GLY A  34
PHE A  79
PHE A  52
 None
 0.97A 2qr2A-1v19A:
4.4
2qr2B-1v19A:
4.2		 2qr2A-1v19A:
25.00
2qr2B-1v19A:
25.00
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY B  63
GLY B  61
PHE B  53
PHE A 191
 None
None
PEG  A1369 ( 4.2A)
PEG  A1369 (-4.8A)
 0.98A 2qr2A-1w85B:
5.0
2qr2B-1w85B:
5.0		 2qr2A-1w85B:
20.18
2qr2B-1w85B:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A 162
GLY A 163
PHE A 156
PHE A 201
 None
 0.98A 2qr2A-1xcjA:
undetectable
2qr2B-1xcjA:
undetectable		 2qr2A-1xcjA:
21.77
2qr2B-1xcjA:
21.77
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.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		4 TRP A 257
GLY A 203
PHE A  99
PHE A  96
 None
 1.02A 2qr2A-1y4jA:
undetectable
2qr2B-1y4jA:
undetectable		 2qr2A-1y4jA:
20.20
2qr2B-1y4jA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb6 (S)-ACETONE-CYANOHYD
RIN LYASE

(Hevea
brasiliensis) 		PF00561
(Abhydrolase_1) 		4 GLY A  83
GLY A  82
PHE A 214
PHE A 210
 None
 0.93A 2qr2A-1yb6A:
3.7
2qr2B-1yb6A:
3.7		 2qr2A-1yb6A:
22.18
2qr2B-1yb6A:
22.18
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		4 GLY A 202
GLY A 201
PHE A 145
PHE A 130
 None
 1.03A 2qr2A-1ytmA:
undetectable
2qr2B-1ytmA:
undetectable		 2qr2A-1ytmA:
21.15
2qr2B-1ytmA:
21.15
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		4 GLY A 106
GLY A 107
PHE A  57
PHE A  59
 None
 0.83A 2qr2A-1z81A:
undetectable
2qr2B-1z81A:
undetectable		 2qr2A-1z81A:
20.16
2qr2B-1z81A:
20.16
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		4 GLY A 106
GLY A 107
PHE A  59
PHE A  73
 None
 0.87A 2qr2A-1z81A:
undetectable
2qr2B-1z81A:
undetectable		 2qr2A-1z81A:
20.16
2qr2B-1z81A:
20.16
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLY A 142
GLY A 143
PHE A 198
PHE A 200
 None
FAD  A 501 ( 3.9A)
None
None
 0.83A 2qr2A-1zr6A:
undetectable
2qr2B-1zr6A:
undetectable		 2qr2A-1zr6A:
18.90
2qr2B-1zr6A:
18.90
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 GLY A 487
GLY A 604
PHE A 508
PHE A 598
 None
 1.06A 2qr2A-1zvdA:
undetectable
2qr2B-1zvdA:
undetectable		 2qr2A-1zvdA:
21.28
2qr2B-1zvdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 187
GLY A 214
PHE A 235
PHE A 237
 None
 0.95A 2qr2A-1zy8A:
undetectable
2qr2B-1zy8A:
undetectable		 2qr2A-1zy8A:
20.13
2qr2B-1zy8A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3b PPIASE

(Aspergillus
fumigatus) 		PF00160
(Pro_isomerase) 		4 GLY A  67
GLY A  68
PHE A  25
PHE A  39
 None
 0.86A 2qr2A-2c3bA:
undetectable
2qr2B-2c3bA:
undetectable		 2qr2A-2c3bA:
23.47
2qr2B-2c3bA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfe ALLERGEN

(Malassezia
sympodialis) 		PF00160
(Pro_isomerase) 		4 GLY A  62
GLY A  63
PHE A  20
PHE A  34
 None
 0.85A 2qr2A-2cfeA:
undetectable
2qr2B-2cfeA:
undetectable		 2qr2A-2cfeA:
21.24
2qr2B-2cfeA:
21.24
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TRP A  76
GLY A  90
GLY A  89
PHE A  80
 None
 1.02A 2qr2A-2gl5A:
undetectable
2qr2B-2gl5A:
undetectable		 2qr2A-2gl5A:
21.60
2qr2B-2gl5A:
21.60
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.
2he9 NK-TUMOR RECOGNITION
PROTEIN

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 GLY A  75
GLY A  76
PHE A  25
PHE A  39
 None
 0.78A 2qr2A-2he9A:
undetectable
2qr2B-2he9A:
undetectable		 2qr2A-2he9A:
21.05
2qr2B-2he9A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 GLY A 172
GLY A 173
PHE A 133
PHE A  73
 None
 0.89A 2qr2A-2jtyA:
undetectable
2qr2B-2jtyA:
undetectable		 2qr2A-2jtyA:
24.88
2qr2B-2jtyA:
24.88
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.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA-1
F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA
ISOFORMS 1 AND 2

(Gallus gallus) 		PF01115
(F_actin_cap_B)
PF01267
(F-actin_cap_A) 		4 GLY B 491
GLY B 490
PHE A 255
PHE B 533
 None
 1.01A 2qr2A-2kxpB:
undetectable
2qr2B-2kxpB:
undetectable		 2qr2A-2kxpB:
22.91
2qr2B-2kxpB:
22.91
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.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Aspergillus
oryzae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  20
GLY A  21
PHE A  56
PHE A  34
 None
 0.98A 2qr2A-2ps2A:
undetectable
2qr2B-2ps2A:
undetectable		 2qr2A-2ps2A:
21.05
2qr2B-2ps2A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsz ENGULFMENT AND CELL
MOTILITY PROTEIN 1

(Homo sapiens) 		PF16457
(PH_12) 		4 TRP A 575
GLY A 559
PHE A 654
PHE A 562
 None
 1.06A 2qr2A-2vszA:
undetectable
2qr2B-2vszA:
undetectable		 2qr2A-2vszA:
19.83
2qr2B-2vszA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  13
GLY A  16
PHE A 122
PHE A 114
 FAD  A1491 (-3.3A)
None
None
None
 0.92A 2qr2A-2wbaA:
undetectable
2qr2B-2wbaA:
undetectable		 2qr2A-2wbaA:
18.67
2qr2B-2wbaA:
18.67
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.
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 GLY A  76
GLY A  77
PHE A  26
PHE A  40
 OCS  A  63 ( 4.5A)
OCS  A  63 ( 3.2A)
None
None
 0.74A 2qr2A-2wfiA:
undetectable
2qr2B-2wfiA:
undetectable		 2qr2A-2wfiA:
24.57
2qr2B-2wfiA:
24.57
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.
2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 GLY B  64
GLY B  65
PHE B  22
PHE B  36
 None
 0.84A 2qr2A-2x25B:
undetectable
2qr2B-2x25B:
undetectable		 2qr2A-2x25B:
22.71
2qr2B-2x25B:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  13
GLY A  16
PHE A 122
PHE A 114
 FAD  A1487 (-3.1A)
None
None
None
 0.85A 2qr2A-2x50A:
undetectable
2qr2B-2x50A:
undetectable		 2qr2A-2x50A:
19.83
2qr2B-2x50A:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zym SOLUTE-BINDING
PROTEIN

(Thermoactinomyces
vulgaris) 		PF13416
(SBP_bac_8) 		4 TRP A 360
GLY A 202
PHE A 278
PHE A 174
 ACX  A 901 (-3.6A)
None
None
None
 0.97A 2qr2A-2zymA:
undetectable
2qr2B-2zymA:
undetectable		 2qr2A-2zymA:
20.34
2qr2B-2zymA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		4 GLY A 183
GLY A 184
PHE A 160
PHE A 176
 None
None
None
CL  A 401 ( 4.8A)
 1.06A 2qr2A-3a2lA:
2.4
2qr2B-3a2lA:
undetectable		 2qr2A-3a2lA:
22.50
2qr2B-3a2lA:
22.50
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		4 TRP A 394
GLY A 400
PHE A 415
PHE A 411
 None
 0.95A 2qr2A-3a3cA:
undetectable
2qr2B-3a3cA:
undetectable		 2qr2A-3a3cA:
20.14
2qr2B-3a3cA:
20.14
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.
3dc6 SUPEROXIDE DISMUTASE
[MN] 1

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 180
GLY A  85
GLY A  86
PHE A 155
 None
 0.91A 2qr2A-3dc6A:
undetectable
2qr2B-3dc6A:
undetectable		 2qr2A-3dc6A:
22.35
2qr2B-3dc6A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8t TAKEOUT-LIKE PROTEIN
1

(Epiphyas
postvittana) 		PF06585
(JHBP) 		4 GLY A 101
GLY A 100
PHE A 189
PHE A  49
 None
 0.89A 2qr2A-3e8tA:
undetectable
2qr2B-3e8tA:
undetectable		 2qr2A-3e8tA:
25.97
2qr2B-3e8tA:
25.97
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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 GLY A  89
GLY A  90
PHE A 149
PHE A 118
 None
 1.06A 2qr2A-3fa5A:
undetectable
2qr2B-3fa5A:
undetectable		 2qr2A-3fa5A:
23.31
2qr2B-3fa5A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcy XYLAN ESTERASE 1

(Thermoanaerobacterium
saccharolyticum) 		PF05448
(AXE1) 		4 GLY A 184
GLY A 185
PHE A 151
PHE A 155
 None
 0.90A 2qr2A-3fcyA:
2.3
2qr2B-3fcyA:
3.1		 2qr2A-3fcyA:
20.11
2qr2B-3fcyA:
20.11
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		4 GLY A 167
GLY A 168
PHE A 243
PHE A 239
 None
ATP  A 301 (-3.4A)
None
None
 0.94A 2qr2A-3h1qA:
undetectable
2qr2B-3h1qA:
undetectable		 2qr2A-3h1qA:
20.98
2qr2B-3h1qA:
20.98
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.
3k7x LIN0763 PROTEIN

(Listeria
innocua) 		PF03663
(Glyco_hydro_76) 		4 GLY A 261
GLY A 262
PHE A 211
PHE A 267
 None
 1.00A 2qr2A-3k7xA:
undetectable
2qr2B-3k7xA:
undetectable		 2qr2A-3k7xA:
20.33
2qr2B-3k7xA:
20.33
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		4 GLY A 352
GLY A 354
PHE A 325
PHE A 342
 None
None
None
FAD  A 400 (-4.8A)
 1.01A 2qr2A-3m0oA:
undetectable
2qr2B-3m0oA:
2.3		 2qr2A-3m0oA:
23.12
2qr2B-3m0oA:
23.12
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.
3m33 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 TRP A  22
GLY A  16
GLY A  17
PHE A 182
 None
None
None
SO4  A 227 (-4.7A)
 1.05A 2qr2A-3m33A:
undetectable
2qr2B-3m33A:
undetectable		 2qr2A-3m33A:
20.31
2qr2B-3m33A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 GLY A  85
GLY A  86
PHE A 145
PHE A 114
 None
 1.07A 2qr2A-3no5A:
undetectable
2qr2B-3no5A:
undetectable		 2qr2A-3no5A:
24.33
2qr2B-3no5A:
24.33
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		4 GLY A  62
GLY A  63
PHE A  20
PHE A  34
 None
 0.84A 2qr2A-3o7tA:
undetectable
2qr2B-3o7tA:
undetectable		 2qr2A-3o7tA:
24.14
2qr2B-3o7tA:
24.14
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 GLY A 901
GLY A 899
PHE A 893
PHE A 962
 None
 0.97A 2qr2A-3ob8A:
undetectable
2qr2B-3ob8A:
undetectable		 2qr2A-3ob8A:
13.30
2qr2B-3ob8A:
13.30
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.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 4 GLY A 163
GLY A 164
PHE A 157
PHE A 202
 None
 1.05A 2qr2A-3orhA:
undetectable
2qr2B-3orhA:
undetectable		 2qr2A-3orhA:
22.44
2qr2B-3orhA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 4 TRP B 151
GLY B 180
GLY B 179
PHE B 157
 None
 1.04A 2qr2A-3ozvB:
undetectable
2qr2B-3ozvB:
3.1		 2qr2A-3ozvB:
22.36
2qr2B-3ozvB:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A 626
GLY A 625
PHE A 326
PHE A 325
 None
FAD  A 690 ( 4.5A)
None
None
 0.85A 2qr2A-3pvcA:
undetectable
2qr2B-3pvcA:
undetectable		 2qr2A-3pvcA:
16.10
2qr2B-3pvcA:
16.10
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		4 GLY A 243
GLY A 244
PHE A 121
PHE A 148
 None
 0.98A 2qr2A-3r89A:
undetectable
2qr2B-3r89A:
undetectable		 2qr2A-3r89A:
24.26
2qr2B-3r89A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		4 GLY A 106
GLY A 107
PHE A 203
PHE A 195
 None
 0.97A 2qr2A-3rc0A:
undetectable
2qr2B-3rc0A:
undetectable		 2qr2A-3rc0A:
19.55
2qr2B-3rc0A:
19.55
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 GLY A  40
GLY A  39
PHE A  59
PHE A  76
 GOL  A 401 ( 3.7A)
None
None
None
 1.04A 2qr2A-3ry7A:
undetectable
2qr2B-3ry7A:
4.7		 2qr2A-3ry7A:
21.75
2qr2B-3ry7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		4 TRP A 292
GLY A 269
GLY A 268
PHE A 251
 0IW  A 324 (-4.5A)
0IW  A 324 (-3.7A)
None
None
 1.03A 2qr2A-3s3rA:
undetectable
2qr2B-3s3rA:
undetectable		 2qr2A-3s3rA:
21.45
2qr2B-3s3rA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		4 GLY A  17
GLY A  18
PHE A  23
PHE A  44
 None
 1.03A 2qr2A-3vpzA:
undetectable
2qr2B-3vpzA:
undetectable		 2qr2A-3vpzA:
22.83
2qr2B-3vpzA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 GLY A  99
GLY A 100
PHE A  25
PHE A  22
 None
None
None
ORN  A 300 ( 3.7A)
 1.06A 2qr2A-3vvdA:
undetectable
2qr2B-3vvdA:
undetectable		 2qr2A-3vvdA:
24.73
2qr2B-3vvdA:
24.73
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.
3wct A1 GLOBIN CHAIN OF
GIANT V2 HEMOGLOBIN

(Lamellibrachia
satsuma) 		PF00042
(Globin) 		4 TRP A  14
GLY A 116
GLY A 117
PHE A  27
 None
 0.92A 2qr2A-3wctA:
undetectable
2qr2B-3wctA:
undetectable		 2qr2A-3wctA:
22.12
2qr2B-3wctA:
22.12
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		4 TRP A 104
GLY A 365
GLY A 366
PHE A 108
 None
CL  A1432 (-4.2A)
None
None
 0.91A 2qr2A-4ap5A:
undetectable
2qr2B-4ap5A:
undetectable		 2qr2A-4ap5A:
20.19
2qr2B-4ap5A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 TRP A 212
GLY A 529
GLY A 530
PHE A 541
 None
 0.95A 2qr2A-4arcA:
2.2
2qr2B-4arcA:
2.7		 2qr2A-4arcA:
13.97
2qr2B-4arcA:
13.97
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.
4bjj TRANSCRIPTION FACTOR
TAU SUBUNIT SFC7

(Schizosaccharomyces
pombe) 		PF10419
(TFIIIC_sub6) 		4 GLY B  50
GLY B  51
PHE B  22
PHE B  54
 None
 0.98A 2qr2A-4bjjB:
undetectable
2qr2B-4bjjB:
undetectable		 2qr2A-4bjjB:
17.26
2qr2B-4bjjB:
17.26
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 TRP A 221
GLY A 228
GLY A 227
PHE A  31
 None
 1.03A 2qr2A-4dg8A:
2.6
2qr2B-4dg8A:
2.7		 2qr2A-4dg8A:
16.29
2qr2B-4dg8A:
16.29
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		4 GLY A  42
GLY A  43
PHE A  91
PHE A  92
 None
 0.59A 2qr2A-4doiA:
undetectable
2qr2B-4doiA:
undetectable		 2qr2A-4doiA:
25.55
2qr2B-4doiA:
25.55
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.
4eyv PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Serendipita
indica) 		PF00160
(Pro_isomerase) 		4 GLY A  64
GLY A  65
PHE A  22
PHE A  36
 NA  A 203 ( 3.7A)
NA  A 203 (-4.2A)
None
None
 0.83A 2qr2A-4eyvA:
undetectable
2qr2B-4eyvA:
undetectable		 2qr2A-4eyvA:
22.88
2qr2B-4eyvA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 TRP A 209
GLY A 146
PHE A 191
PHE A 192
 None
 0.83A 2qr2A-4gl3A:
undetectable
2qr2B-4gl3A:
undetectable		 2qr2A-4gl3A:
18.31
2qr2B-4gl3A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 TRP A 209
GLY A 146
PHE A 191
PHE A 192
 None
 0.97A 2qr2A-4gl3A:
undetectable
2qr2B-4gl3A:
undetectable		 2qr2A-4gl3A:
18.31
2qr2B-4gl3A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hbs PUTATIVE HYDROLASE

(Bacteroides
ovatus) 		PF16396
(DUF5005) 		4 TRP A  91
GLY A  76
GLY A  75
PHE A 417
 None
 1.04A 2qr2A-4hbsA:
undetectable
2qr2B-4hbsA:
undetectable		 2qr2A-4hbsA:
20.67
2qr2B-4hbsA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		4 TRP A 292
GLY A 269
GLY A 268
PHE A 251
 None
 1.01A 2qr2A-4i05A:
undetectable
2qr2B-4i05A:
undetectable		 2qr2A-4i05A:
19.80
2qr2B-4i05A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ix8 TYROSINE
AMINOTRANSFERASE

(Leishmania
infantum) 		PF00155
(Aminotran_1_2) 		4 GLY A 282
GLY A 283
PHE A 266
PHE A 129
 None
 0.90A 2qr2A-4ix8A:
undetectable
2qr2B-4ix8A:
2.3		 2qr2A-4ix8A:
18.49
2qr2B-4ix8A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY B 114
GLY B 113
PHE B 131
PHE B 133
 None
 0.99A 2qr2A-4iyoB:
undetectable
2qr2B-4iyoB:
2.0		 2qr2A-4iyoB:
20.78
2qr2B-4iyoB:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o8m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Actinobacillus
succinogenes) 		PF03480
(DctP) 		4 TRP A  48
GLY A 268
GLY A 269
PHE A 239
 None
 1.05A 2qr2A-4o8mA:
undetectable
2qr2B-4o8mA:
undetectable		 2qr2A-4o8mA:
21.61
2qr2B-4o8mA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oko RAPID ENCYSTMENT
PHENOTYPE PROTEIN 34
KDA

(Francisella
tularensis) 		PF00246
(Peptidase_M14) 		4 GLY A  83
GLY A  84
PHE A 262
PHE A 141
 None
 1.06A 2qr2A-4okoA:
2.4
2qr2B-4okoA:
2.5		 2qr2A-4okoA:
22.56
2qr2B-4okoA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 TRP A 107
GLY A 249
GLY A 251
PHE A  92
 None
 0.92A 2qr2A-4pdxA:
undetectable
2qr2B-4pdxA:
undetectable		 2qr2A-4pdxA:
16.41
2qr2B-4pdxA:
16.41
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.
4pvg TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TRP A 423
GLY A 434
GLY A 433
PHE A 469
 None
 0.93A 2qr2A-4pvgA:
undetectable
2qr2B-4pvgA:
undetectable		 2qr2A-4pvgA:
20.59
2qr2B-4pvgA:
20.59
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 TRP A  90
GLY A  96
GLY A  97
PHE A 154
 None
 1.02A 2qr2A-4q2cA:
undetectable
2qr2B-4q2cA:
undetectable		 2qr2A-4q2cA:
11.97
2qr2B-4q2cA:
11.97
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		4 TRP A 518
GLY A 573
GLY A 574
PHE A 589
 None
 0.93A 2qr2A-4ru4A:
undetectable
2qr2B-4ru4A:
undetectable		 2qr2A-4ru4A:
16.33
2qr2B-4ru4A:
16.33
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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		4 TRP A 127
GLY A 239
GLY A 240
PHE A 273
 None
 0.93A 2qr2A-4uzjA:
3.3
2qr2B-4uzjA:
undetectable		 2qr2A-4uzjA:
20.70
2qr2B-4uzjA:
20.70
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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		4 TRP A 127
GLY A 239
GLY A 242
PHE A 273
 None
 0.85A 2qr2A-4uzjA:
3.3
2qr2B-4uzjA:
undetectable		 2qr2A-4uzjA:
20.70
2qr2B-4uzjA:
20.70
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.
4x9q SUPEROXIDE DISMUTASE
[MN] 2,
MITOCHONDRIAL

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 177
GLY A  85
GLY A  86
PHE A 152
 None
 1.05A 2qr2A-4x9qA:
undetectable
2qr2B-4x9qA:
undetectable		 2qr2A-4x9qA:
22.05
2qr2B-4x9qA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 394
GLY A 393
PHE A 332
PHE A 461
 None
None
None
CU  A 510 ( 4.5A)
 1.04A 2qr2A-5ehfA:
undetectable
2qr2B-5ehfA:
undetectable		 2qr2A-5ehfA:
18.25
2qr2B-5ehfA:
18.25
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.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 GLY A 286
GLY A 285
PHE A 324
PHE A 339
 None
 0.97A 2qr2A-5gmxA:
undetectable
2qr2B-5gmxA:
undetectable		 2qr2A-5gmxA:
21.80
2qr2B-5gmxA:
21.80
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.
5h2a KLLA0C04147P

(Kluyveromyces
lactis) 		PF00023
(Ank) 		4 GLY A 221
GLY A 222
PHE A 163
PHE A 167
 None
 0.97A 2qr2A-5h2aA:
undetectable
2qr2B-5h2aA:
undetectable		 2qr2A-5h2aA:
23.00
2qr2B-5h2aA:
23.00
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.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 GLY A 212
GLY A 211
PHE A 195
PHE A 204
 None
 1.01A 2qr2A-5ipwA:
undetectable
2qr2B-5ipwA:
undetectable		 2qr2A-5ipwA:
16.75
2qr2B-5ipwA:
16.75
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLY A 167
GLY A 168
PHE A 223
PHE A 225
 None
FAD  A 501 (-3.5A)
None
None
 0.82A 2qr2A-5l6fA:
undetectable
2qr2B-5l6fA:
undetectable		 2qr2A-5l6fA:
19.08
2qr2B-5l6fA:
19.08
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 TRP A 657
GLY A  73
GLY A  74
PHE A 650
 None
 0.84A 2qr2A-5mqmA:
undetectable
2qr2B-5mqmA:
undetectable		 2qr2A-5mqmA:
12.07
2qr2B-5mqmA:
12.07
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 GLY A 424
GLY A 164
PHE A 222
PHE A 213
 None
 0.89A 2qr2A-5tr1A:
undetectable
2qr2B-5tr1A:
undetectable		 2qr2A-5tr1A:
16.67
2qr2B-5tr1A:
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.
5vei SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00018
(SH3_1) 		4 GLY A 910
GLY A 903
PHE A 874
PHE A 884
 None
None
UNX  A1001 ( 4.6A)
None
 1.04A 2qr2A-5veiA:
undetectable
2qr2B-5veiA:
undetectable		 2qr2A-5veiA:
17.33
2qr2B-5veiA:
17.33
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.
5yba PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Trichomonas
vaginalis) 		no annotation 4 GLY A  72
GLY A  73
PHE A  23
PHE A  37
 None
 0.80A 2qr2A-5ybaA:
undetectable
2qr2B-5ybaA:
undetectable		 2qr2A-5ybaA:
undetectable
2qr2B-5ybaA:
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 GLY A 138
GLY A 139
PHE A 178
PHE A 143
 None
 0.94A 2qr2A-6b2wA:
undetectable
2qr2B-6b2wA:
undetectable		 2qr2A-6b2wA:
17.39
2qr2B-6b2wA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 4 GLY A 195
GLY A 158
PHE A  97
PHE A  99
 None
 1.07A 2qr2A-6byxA:
undetectable
2qr2B-6byxA:
undetectable		 2qr2A-6byxA:
18.06
2qr2B-6byxA:
18.06
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 4 GLY A 103
GLY A 102
PHE A 120
PHE A 122
 None
 0.98A 2qr2A-6cjbA:
2.7
2qr2B-6cjbA:
3.0		 2qr2A-6cjbA:
14.35
2qr2B-6cjbA:
14.35
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 4 GLY A 184
GLY A 185
PHE A 241
PHE A 243
 None
FAD  A 601 (-3.5A)
None
None
 0.75A 2qr2A-6eo5A:
undetectable
2qr2B-6eo5A:
undetectable		 2qr2A-6eo5A:
15.02
2qr2B-6eo5A:
15.02
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 TRP A 220
GLY A 174
GLY A 175
PHE A  27
 None
 0.99A 2qr2A-6eu6A:
undetectable
2qr2B-6eu6A:
undetectable		 2qr2A-6eu6A:
17.42
2qr2B-6eu6A:
17.42
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 TRP A2465
GLY A2423
PHE A2532
PHE A2453
 None
 0.73A 2qr2A-6fb3A:
undetectable
2qr2B-6fb3A:
undetectable		 2qr2A-6fb3A:
19.56
2qr2B-6fb3A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 TRP A2465
GLY A2423
PHE A2532
PHE A2453
 None
 0.91A 2qr2A-6fb3A:
undetectable
2qr2B-6fb3A:
undetectable		 2qr2A-6fb3A:
19.56
2qr2B-6fb3A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 4 GLY A 148
GLY A 149
PHE A 204
PHE A 206
 None
FAD  A 600 (-3.6A)
None
None
 0.98A 2qr2A-6fydA:
undetectable
2qr2B-6fydA:
undetectable		 2qr2A-6fydA:
18.23
2qr2B-6fydA:
18.23