SIMILAR PATTERNS OF AMINO ACIDS FOR 3UGR_A_IMNA2001

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		5 TRP A  79
HIS A 110
TYR A 209
SER A 210
SER A 214
 None
NAP  A 350 (-4.0A)
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
NAP  A 350 (-2.9A)
 0.82A 3ugrA-1c9wA:
44.2		 3ugrA-1c9wA:
46.73
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 LEU A 103
HIS A  70
SER A 256
SER A 255
PHE A 307
 KCX  A 162 ( 4.2A)
ZN  A 601 ( 3.6A)
None
None
None
 1.27A 3ugrA-1pojA:
7.4		 3ugrA-1pojA:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TRP A  86
HIS A 117
TYR A 216
SER A 217
SER A 221
TRP A 227
 None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
None
 0.99A 3ugrA-1q5mA:
49.8		 3ugrA-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
HIS A 117
TYR A 216
SER A 217
SER A 221
PHE A 310
 None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
None
 1.07A 3ugrA-1q5mA:
49.8		 3ugrA-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TRP A  86
HIS A 117
TYR A 216
SER A 217
SER A 221
 None
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
 0.48A 3ugrA-1q5mA:
49.8		 3ugrA-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 TRP A  90
HIS A 121
TYR A 214
SER A 215
PHE A 301
 None
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
None
 1.07A 3ugrA-2bgsA:
39.6		 3ugrA-2bgsA:
34.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 TRP A  90
HIS A 121
TYR A 214
SER A 215
SER A 219
 None
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
NDP  A1321 (-2.7A)
 0.75A 3ugrA-2bgsA:
39.6		 3ugrA-2bgsA:
34.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
LEU A  54
TRP A  86
HIS A 117
MET A 120
SER A 217
 None
None
None
NAP  A1001 (-4.4A)
None
NAP  A1001 (-4.0A)
 0.47A 3ugrA-2fvlA:
50.0		 3ugrA-2fvlA:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TRP A  86
HIS A 117
MET A 120
TYR A 216
PHE A 311
 None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.5A)
None
 0.82A 3ugrA-2ipfA:
49.1		 3ugrA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 HIS A 117
TYR A 216
SER A 217
SER A 221
PHE A 311
 FFA  A 325 ( 3.8A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
None
 0.82A 3ugrA-2ipjA:
49.9		 3ugrA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP A  86
HIS A 117
TYR A 216
SER A 217
SER A 221
 None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
 0.29A 3ugrA-2ipjA:
49.9		 3ugrA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP A  79
HIS A 110
TYR A 209
SER A 210
SER A 214
 None
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.2A)
NAP  A 316 (-2.7A)
NAP  A 316 (-2.7A)
 0.79A 3ugrA-2is7A:
44.9		 3ugrA-2is7A:
48.15
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 LEU A 141
SER A 144
SER A  53
SER A  54
PHE A  62
 None
 1.32A 3ugrA-2qcvA:
undetectable		 3ugrA-2qcvA:
21.85
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		5 SER A 191
MET A 220
TYR A 127
SER A 124
PHE A 117
 GA4  A 345 (-3.1A)
None
GA4  A 345 (-4.7A)
None
None
 1.32A 3ugrA-2zsiA:
undetectable		 3ugrA-2zsiA:
22.33
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.
3bma D-ALANYL-LIPOTEICHOI
C ACID SYNTHETASE

(Streptococcus
pneumoniae) 		PF04914
(DltD) 		5 LEU A 310
SER A 111
TYR A 173
SER A 413
PHE A 139
 None
 1.24A 3ugrA-3bmaA:
2.5		 3ugrA-3bmaA:
23.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  26
TRP A  89
MET A 123
TYR A 219
SER A 220
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
 0.66A 3ugrA-3cavA:
45.9		 3ugrA-3cavA:
55.52
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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		5 SER A 198
MET A 227
TYR A 134
SER A 131
PHE A 124
 GA4  A 401 (-2.6A)
None
GA4  A 401 (-4.8A)
None
None
 1.40A 3ugrA-3eblA:
undetectable		 3ugrA-3eblA:
24.53
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.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 TYR A1922
HIS A1993
SER A1992
MET A1986
SER A1918
 None
 1.46A 3ugrA-3ff6A:
undetectable		 3ugrA-3ff6A:
16.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TRP A  79
HIS A 110
TYR A 202
SER A 203
SER A 207
 ACT  A 501 ( 4.0A)
None
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.1A)
NAP  A 401 (-2.8A)
NAP  A 401 (-4.8A)
 0.49A 3ugrA-3h7rA:
40.1		 3ugrA-3h7rA:
39.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TRP A  79
TYR A 202
SER A 203
SER A 207
PHE A 292
 ACT  A 501 ( 4.0A)
None
NAP  A 401 (-3.1A)
NAP  A 401 (-2.8A)
NAP  A 401 (-4.8A)
EDO  A 513 (-4.7A)
 0.98A 3ugrA-3h7rA:
40.1		 3ugrA-3h7rA:
39.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TRP A  83
HIS A 114
TYR A 206
SER A 207
SER A 211
 None
ACT  A 501 ( 3.8A)
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
NAP  A 401 (-2.6A)
 0.75A 3ugrA-3h7uA:
40.4		 3ugrA-3h7uA:
40.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TRP A  86
HIS A 117
TYR A 216
PHE A 310
 MLY  A  25 (-3.6A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.4A)
MRD  A 328 (-4.5A)
 0.99A 3ugrA-3ln3A:
47.5		 3ugrA-3ln3A:
64.71
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.
3mwy CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF00385
(Chromo) 		5 SER W 392
TYR W 354
SER W 352
SER W 351
PHE W 414
 None
 1.47A 3ugrA-3mwyW:
undetectable		 3ugrA-3mwyW:
17.75
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.
4a5p PROTEIN MXIA

(Shigella
flexneri) 		PF00771
(FHIPEP) 		5 TYR A 483
LEU A 486
SER A 477
PHE A 428
PHE A 367
 None
None
MLY  A 476 ( 4.9A)
None
None
 1.49A 3ugrA-4a5pA:
undetectable		 3ugrA-4a5pA:
23.24
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.
4qh6 CRUZIPAIN

(Trypanosoma
cruzi) 		PF00112
(Peptidase_C1) 		5 SER A 183
TYR A  91
SER A  93
SER A  98
TRP A  26
 None
 1.43A 3ugrA-4qh6A:
undetectable		 3ugrA-4qh6A:
22.06
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 LEU A1042
SER A1045
SER A1030
PHE A 948
PHE A 946
 None
 1.26A 3ugrA-4wxxA:
undetectable		 3ugrA-4wxxA:
12.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		5 TRP A 106
HIS A 137
MET A 140
TYR A 223
SER A 224
 None
 0.88A 3ugrA-5az0A:
40.2		 3ugrA-5az0A:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 TRP A  89
HIS A 120
TYR A 213
SER A 214
PHE A 300
 None
6KB  A 401 ( 4.0A)
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
None
 1.05A 3ugrA-5jgyA:
39.7		 3ugrA-5jgyA:
38.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 TRP A  89
HIS A 120
TYR A 213
SER A 214
SER A 218
 None
6KB  A 401 ( 4.0A)
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
6KB  A 401 (-2.7A)
 0.75A 3ugrA-5jgyA:
39.7		 3ugrA-5jgyA:
38.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP X  80
HIS X 111
TYR X 210
SER X 211
SER X 215
 None
DQP  X 402 ( 4.1A)
NAP  X 401 ( 3.1A)
NAP  X 401 (-2.8A)
NAP  X 401 (-2.7A)
 0.82A 3ugrA-5liyX:
44.2		 3ugrA-5liyX:
46.75
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 TYR A 218
LEU A 234
HIS A 460
SER A 456
SER A 336
 None
 1.21A 3ugrA-5ttkA:
undetectable		 3ugrA-5ttkA:
22.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 8 TYR A  24
LEU A  54
HIS A 117
TYR A 216
SER A 217
SER A 221
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 0.76A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 5 TYR A  24
LEU A  54
SER A 217
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
None
NAP  A 401 ( 2.7A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 1.45A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 9 TYR A  24
LEU A  54
TRP A  86
HIS A 117
SER A 118
MET A 120
TYR A 216
SER A 217
SER A 221
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
 0.40A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 9 TYR A  24
LEU A  54
TRP A  86
HIS A 117
SER A 118
TYR A 216
SER A 217
SER A 221
PHE A 306
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
CJ2  A 402 (-3.8A)
 0.47A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 6 TYR A  24
LEU A  54
TRP A  86
SER A 118
MET A 120
SER A 217
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 2.7A)
 1.04A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 6 TYR A  24
LEU A  54
TRP A  86
SER A 118
SER A 217
PHE A 306
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-3.8A)
 1.31A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 5 TYR A 268
LEU A 261
SER A  64
PHE A 230
PHE A 387
 None
 1.21A 3ugrA-6f34A:
undetectable		 3ugrA-6f34A:
16.73
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.
1arl APO-CARBOXYPEPTIDASE
A=ALPHA= (COX)

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 TYR A  12
GLU A 292
TYR A 234
TYR A 238
 None
 1.28A 3ugrA-1arlA:
undetectable		 3ugrA-1arlA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		4 ASN A 160
GLN A  21
PRO A 310
TYR A 311
 NAP  A 350 (-3.2A)
None
None
None
 1.22A 3ugrA-1c9wA:
44.2		 3ugrA-1c9wA:
46.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
ASN A 160
GLU A 185
PRO A 310
TYR A 311
 NAP  A 350 (-4.8A)
NAP  A 350 (-3.2A)
None
None
None
 0.77A 3ugrA-1c9wA:
44.2		 3ugrA-1c9wA:
46.73
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.
1f1x HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Brevibacterium
fuscum) 		PF00903
(Glyoxalase) 		4 ASN A 280
GLU A 179
GLN A 182
TYR A 273
 None
 1.17A 3ugrA-1f1xA:
undetectable		 3ugrA-1f1xA:
22.61
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 TYR A  12
GLU A 292
TYR A 234
TYR A 238
 None
 1.25A 3ugrA-1nsaA:
undetectable		 3ugrA-1nsaA:
23.49
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.
1pca PROCARBOXYPEPTIDASE
A PCPA

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 TYR A  12
GLU A 292
TYR A 234
TYR A 238
 None
 1.26A 3ugrA-1pcaA:
undetectable		 3ugrA-1pcaA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  55
ASN A 167
GLU A 192
TYR A 305
PRO A 318
 NDP  A1003 (-4.9A)
NDP  A1003 (-3.4A)
None
None
None
 0.58A 3ugrA-1q5mA:
49.8		 3ugrA-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 TYR A  52
ASN A 154
GLU A 177
GLN A  25
 None
 1.07A 3ugrA-1qwkA:
39.9		 3ugrA-1qwkA:
39.00
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		4 ASN A  93
GLN A 106
TYR A  90
PRO A  63
 None
 1.28A 3ugrA-1qwyA:
undetectable		 3ugrA-1qwyA:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 TYR A  55
ASN A 167
GLU A 192
TYR A 305
 None
 0.77A 3ugrA-1ralA:
40.2		 3ugrA-1ralA:
70.19
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		4 TYR A 322
ASN A 430
PRO A  57
TYR A 448
 None
 1.15A 3ugrA-1uwiA:
10.9		 3ugrA-1uwiA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vbj PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
brucei) 		PF00248
(Aldo_ket_red) 		4 TYR A  52
ASN A 140
GLU A 163
TYR A 265
 CIT  A4001 ( 4.2A)
NAP  A3001 (-3.2A)
None
None
 0.25A 3ugrA-1vbjA:
38.7		 3ugrA-1vbjA:
38.21
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		4 ASN A 189
GLN A 218
TYR A 230
TYR A 268
 None
 1.07A 3ugrA-1w7cA:
undetectable		 3ugrA-1w7cA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xk8 DIVALENT CATION
TOLERANT PROTEIN
CUTA

(Homo sapiens) 		PF03091
(CutA1) 		4 GLU A  95
GLN A  79
PRO A 119
TYR A 120
 None
 1.23A 3ugrA-1xk8A:
undetectable		 3ugrA-1xk8A:
19.94
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.
1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001

(Pyrococcus
furiosus) 		PF01928
(CYTH) 		4 ASN A  19
TYR A  28
PRO A  23
TYR A 105
 None
 1.00A 3ugrA-1yemA:
undetectable		 3ugrA-1yemA:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		4 TYR A  58
ASN A 167
GLU A 190
TYR A 310
 NAP  A 755 (-3.9A)
NAP  A 755 (-3.3A)
None
None
 1.01A 3ugrA-1zgdA:
39.9		 3ugrA-1zgdA:
38.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TYR A  55
ASN A 167
GLU A 192
GLN A 222
TYR A 305
PRO A 318
 NAP  A1001 (-4.7A)
NAP  A1001 (-3.1A)
None
NAP  A1001 (-4.0A)
None
None
 0.56A 3ugrA-2fvlA:
50.0		 3ugrA-2fvlA:
84.21
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.
2gz6 N-ACETYL-D-GLUCOSAMI
NE 2-EPIMERASE

(Anabaena sp.
CH1) 		PF07221
(GlcNAc_2-epim) 		4 ASN A  18
GLN A   6
TYR A  12
PRO A  22
 None
 1.23A 3ugrA-2gz6A:
undetectable		 3ugrA-2gz6A:
19.12
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		4 TYR A 153
GLU A 123
PRO A 195
TYR A 194
 SO4  A5014 (-4.4A)
None
None
None
 1.25A 3ugrA-2h12A:
undetectable		 3ugrA-2h12A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hur NUCLEOSIDE
DIPHOSPHATE KINASE

(Escherichia
coli) 		PF00334
(NDK) 		4 TYR A  51
ASN A 114
GLU A 113
PRO A  95
 None
SO4  A 200 (-3.3A)
None
None
 1.09A 3ugrA-2hurA:
undetectable		 3ugrA-2hurA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 TYR A 252
GLU A 214
TYR A  13
TYR A  21
 None
 1.29A 3ugrA-2im5A:
5.6		 3ugrA-2im5A:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  55
ASN A 167
GLU A 192
GLN A 222
TYR A 305
PRO A 318
 FFA  A   3 ( 4.5A)
NAP  A   1 (-3.3A)
None
NAP  A   1 (-4.7A)
None
None
 0.59A 3ugrA-2ipfA:
49.1		 3ugrA-2ipfA:
72.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  55
ASN A 167
GLU A 192
TYR A 305
PRO A 318
 FFA  A 325 ( 4.3A)
NAP  A   1 (-3.1A)
None
None
None
 0.54A 3ugrA-2ipjA:
49.9		 3ugrA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 TYR A  48
ASN A 160
GLU A 185
PRO A 310
 2CL  A 317 ( 4.5A)
NAP  A 316 (-3.4A)
None
None
 0.59A 3ugrA-2is7A:
44.9		 3ugrA-2is7A:
48.15
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		4 TYR A 477
GLU A  59
GLN A  91
TYR A  96
 None
 1.26A 3ugrA-2jf7A:
10.3		 3ugrA-2jf7A:
20.07
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.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		4 GLN A 260
TYR A 214
PRO A 184
TYR A 185
 None
 0.56A 3ugrA-2ok8A:
undetectable		 3ugrA-2ok8A:
22.34
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.
2qjt NICOTINAMIDE-NUCLEOT
IDE
ADENYLYLTRANSFERASE

(Francisella
tularensis) 		no annotation 4 GLN B  85
TYR B  80
PRO B 277
TYR B 276
 None
 1.29A 3ugrA-2qjtB:
undetectable		 3ugrA-2qjtB:
22.16
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TYR A 165
GLN A 294
PRO A 460
TYR A 453
 FAD  A 601 (-4.0A)
None
None
None
 1.28A 3ugrA-2wdwA:
undetectable		 3ugrA-2wdwA:
20.60
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 TYR A 572
GLU A 137
TYR A 580
PRO A 502
 None
 1.17A 3ugrA-2x40A:
6.1		 3ugrA-2x40A:
19.58
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 TYR A 692
GLU A 120
TYR A 700
PRO A 626
 None
 1.32A 3ugrA-3abzA:
3.5		 3ugrA-3abzA:
17.97
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		4 TYR A 126
GLU A 107
GLN A 109
PRO A  88
 None
 1.31A 3ugrA-3c8zA:
undetectable		 3ugrA-3c8zA:
21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 TYR A  58
ASN A 170
GLU A 195
PRO A 321
 CI2  A 328 ( 4.5A)
NAP  A 327 (-3.6A)
None
None
 0.69A 3ugrA-3cavA:
45.9		 3ugrA-3cavA:
55.52
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.
3ch2 SERINE-REPEAT
ANTIGEN PROTEIN

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 ASN X 626
GLN X 590
PRO X 673
TYR X 661
 None
 1.19A 3ugrA-3ch2X:
undetectable		 3ugrA-3ch2X:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cql ENDOCHITINASE

(Carica papaya) 		PF00182
(Glyco_hydro_19) 		4 TYR A  96
GLU A 203
GLN A 118
PRO A 241
 None
NDG  A 244 (-3.3A)
NDG  A 244 (-3.9A)
None
 1.14A 3ugrA-3cqlA:
undetectable		 3ugrA-3cqlA:
19.82
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.
3e4d ESTERASE D

(Agrobacterium
fabrum) 		PF00756
(Esterase) 		4 TYR A 200
ASN A 160
GLU A 124
GLN A 117
 None
 1.27A 3ugrA-3e4dA:
undetectable		 3ugrA-3e4dA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eck PROTEIN
(HOMOPROTOCATECHUATE
2,3-DIOXYGENASE)

(Brevibacterium
fuscum) 		PF00903
(Glyoxalase) 		4 ASN A 280
GLU A 179
GLN A 182
TYR A 273
 None
 1.28A 3ugrA-3eckA:
undetectable		 3ugrA-3eckA:
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.
3fot 15-O-ACETYLTRANSFERA
SE

(Fusarium
sporotrichioides) 		PF07428
(Tri3) 		4 GLU A 417
GLN A 358
PRO A 427
TYR A 263
 None
GOL  A 524 ( 4.3A)
None
None
 1.08A 3ugrA-3fotA:
undetectable		 3ugrA-3fotA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 TYR A  48
ASN A 155
GLU A 178
GLN A 208
 ACT  A 501 ( 4.3A)
NAP  A 401 (-3.4A)
None
NAP  A 401 (-3.6A)
 0.25A 3ugrA-3h7rA:
40.1		 3ugrA-3h7rA:
39.03
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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE

(Vibrio cholerae) 		PF00342
(PGI) 		4 ASN A 502
TYR A 361
PRO A   7
TYR A 371
 None
 1.30A 3ugrA-3hjbA:
undetectable		 3ugrA-3hjbA:
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.
3l6u ABC-TYPE SUGAR
TRANSPORT SYSTEM
PERIPLASMIC
COMPONENT

(Exiguobacterium
sibiricum) 		PF13407
(Peripla_BP_4) 		4 TYR A 200
GLU A 152
TYR A 148
TYR A 275
 None
 1.16A 3ugrA-3l6uA:
undetectable		 3ugrA-3l6uA:
25.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  55
ASN A 167
GLU A 192
GLN A 222
TYR A 305
PRO A 318
 NAD  A 327 ( 4.7A)
NAD  A 327 (-3.3A)
None
NAD  A 327 (-3.7A)
None
None
 0.71A 3ugrA-3ln3A:
47.5		 3ugrA-3ln3A:
64.71
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.
3oq3 IFN-ALPHA/BETA
BINDING PROTEIN C12R

(Ectromelia
virus) 		PF00047
(ig)
PF13895
(Ig_2) 		4 TYR B 157
GLN B 178
TYR B 196
PRO B 128
 None
 1.22A 3ugrA-3oq3B:
undetectable		 3ugrA-3oq3B:
24.24
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.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		4 TYR A 260
ASN A 215
PRO A 165
TYR A 172
 None
LLP  A 280 ( 3.5A)
None
None
 1.30A 3ugrA-3pdxA:
undetectable		 3ugrA-3pdxA:
21.84
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.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)

(Doryteuthis
pealeii) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 TYR A 283
ASN A 150
TYR A 745
PRO A 749
 None
 1.17A 3ugrA-3qr1A:
undetectable		 3ugrA-3qr1A:
18.24
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.
3r08 MOUSE ANTI-MOUSE
CD3EPSILON ANTIBODY
2C11 LIGHT CHAIN
T-CELL SURFACE
GLYCOPROTEIN CD3
EPSILON CHAIN

(Cricetulus
migratorius) 		PF07654
(C1-set)
PF07686
(V-set)
PF16681
(Ig_5) 		4 TYR L  32
TYR E  59
PRO E  22
TYR E   8
 None
 1.11A 3ugrA-3r08L:
undetectable		 3ugrA-3r08L:
21.85
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.
3tbj ACTIBIND

(Aspergillus
niger) 		PF00445
(Ribonuclease_T2) 		4 TYR A 223
TYR A 121
PRO A 256
TYR A  61
 None
EDO  A 307 ( 3.7A)
None
None
 1.31A 3ugrA-3tbjA:
undetectable		 3ugrA-3tbjA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u73 UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00051
(Kringle) 		4 ASN A  15
GLU A  43
GLN A  93
PRO A  34
 None
 0.98A 3ugrA-3u73A:
undetectable		 3ugrA-3u73A:
16.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		4 TYR A  47
ASN A 136
GLU A 159
PRO A 271
 ACT  A 276 (-4.6A)
None
None
None
 0.84A 3ugrA-3up8A:
36.3		 3ugrA-3up8A:
33.33
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		4 ASN A 198
GLN A  20
TYR A  58
TYR A 156
 None
 1.27A 3ugrA-3vgfA:
8.5		 3ugrA-3vgfA:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 TYR A  58
ASN A 144
GLU A 167
PRO A 274
 None
 0.99A 3ugrA-3wbxA:
35.8		 3ugrA-3wbxA:
35.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wcz ALDO-KETO REDUCTASE
2E

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 TYR A  58
ASN A 159
GLU A 182
PRO A 307
 CIT  A 406 ( 3.2A)
NAP  A 401 ( 2.8A)
None
EDO  A 405 ( 4.0A)
 0.66A 3ugrA-3wczA:
42.4		 3ugrA-3wczA:
40.56
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.
3zh0 PROTOGLOBIN

(Methanosarcina
acetivorans) 		PF11563
(Protoglobin) 		4 TYR A  85
TYR A 141
PRO A 188
TYR A 189
 HEM  A 200 (-4.5A)
None
None
None
 1.01A 3ugrA-3zh0A:
undetectable		 3ugrA-3zh0A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zjl PROTOGLOBIN

(Methanosarcina
acetivorans) 		PF11563
(Protoglobin) 		4 TYR A  85
TYR A 141
PRO A 188
TYR A 189
 HEM  A 200 (-4.4A)
None
None
None
 1.06A 3ugrA-3zjlA:
undetectable		 3ugrA-3zjlA:
21.47
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 TYR A 433
ASN A 496
GLU A 491
TYR A 526
 None
 1.20A 3ugrA-4aefA:
5.4		 3ugrA-4aefA:
19.46
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.
4d0y DACB

(Streptococcus
pneumoniae) 		PF02557
(VanY) 		4 TYR A 191
TYR A  64
PRO A  88
TYR A  86
 None
 1.23A 3ugrA-4d0yA:
undetectable		 3ugrA-4d0yA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d28 CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 ASN A 248
GLU A 179
GLN A 184
TYR A 186
 None
 1.28A 3ugrA-4d28A:
undetectable		 3ugrA-4d28A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		4 TYR A 146
GLU A 116
PRO A 188
TYR A 187
 None
 1.22A 3ugrA-4e6yA:
undetectable		 3ugrA-4e6yA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f40 PROSTAGLANDIN
F2-ALPHA
SYNTHASE/D-ARABINOSE
DEHYDROGENASE

(Leishmania
major) 		PF00248
(Aldo_ket_red) 		4 TYR A  54
ASN A 150
GLU A 173
TYR A 275
 EDO  A 308 (-4.4A)
EDO  A 308 (-3.4A)
None
None
 0.18A 3ugrA-4f40A:
38.1		 3ugrA-4f40A:
37.13
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 11
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Schizosaccharomyces
pombe) 		PF10156
(Med17)
no annotation 		4 GLU K  28
GLN K  22
TYR Q 205
PRO K  32
 None
 1.26A 3ugrA-4h63K:
undetectable		 3ugrA-4h63K:
14.42
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 ASN C 268
GLU C 231
PRO C 265
TYR C 226
 None
 1.02A 3ugrA-4hb4C:
undetectable		 3ugrA-4hb4C:
15.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)

(Schistosoma
japonicum) 		PF00248
(Aldo_ket_red) 		4 TYR A  48
ASN A 160
GLU A 183
PRO A 305
 None
 0.64A 3ugrA-4hbkA:
41.7		 3ugrA-4hbkA:
39.94
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		4 TYR A 121
GLU A  69
PRO A 136
TYR A 139
 None
 0.54A 3ugrA-4hstA:
undetectable		 3ugrA-4hstA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imv RICIN

(Ricinus
communis) 		PF00161
(RIP) 		4 TYR A  21
GLU A 177
GLN A 182
TYR A 123
 None
 1.26A 3ugrA-4imvA:
undetectable		 3ugrA-4imvA:
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 TYR A 187
ASN A 163
GLN A  34
TYR A 149
 None
None
BGC  A 604 (-2.8A)
None
 1.29A 3ugrA-4jsoA:
undetectable		 3ugrA-4jsoA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mc0 PUTATIVE
SESQUITERPENE
CYCLASE

(Kitasatospora
setae) 		no annotation 4 ASN A 160
GLU A 156
GLN A 151
TYR A 234
 None
 1.32A 3ugrA-4mc0A:
undetectable		 3ugrA-4mc0A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 TYR A 312
GLU A 447
TYR A 286
TYR A 224
 None
 1.17A 3ugrA-4mivA:
undetectable		 3ugrA-4mivA:
22.16
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.
4mst CLASS I CHITINASE

(Hevea
brasiliensis) 		PF00182
(Glyco_hydro_19) 		4 TYR A 146
GLU A 253
GLN A 168
PRO A 291
 None
 1.20A 3ugrA-4mstA:
undetectable		 3ugrA-4mstA:
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.
4nt9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 TYR B 191
TYR B  64
PRO B  88
TYR B  86
 None
 1.32A 3ugrA-4nt9B:
undetectable		 3ugrA-4nt9B:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxe FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 ASN A  49
GLN A 366
TYR A 363
TYR A 218
 None
 1.27A 3ugrA-4rxeA:
undetectable		 3ugrA-4rxeA:
21.41
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 TYR A 342
GLN A  73
PRO A 142
TYR A 145
 None
 1.32A 3ugrA-4upiA:
undetectable		 3ugrA-4upiA:
18.69
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 ASN A 574
GLU A 575
GLN A 582
TYR A 577
 None
 1.26A 3ugrA-4v1uA:
undetectable		 3ugrA-4v1uA:
17.67
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.
4wbf NUCLEOSIDE
DIPHOSPHATE KINASE

(Acinetobacter
baumannii) 		PF00334
(NDK) 		4 TYR A  51
ASN A 114
GLU A 113
PRO A  95
 None
 1.06A 3ugrA-4wbfA:
undetectable		 3ugrA-4wbfA:
17.63
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.
4wnr LEUCINE-RICH-REPEAT
PROTEIN

(Methanosarcina
barkeri) 		PF08477
(Roc)
PF16095
(COR) 		4 TYR A 411
GLU A 613
PRO A 626
TYR A 616
 None
 1.09A 3ugrA-4wnrA:
undetectable		 3ugrA-4wnrA:
21.20
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 TYR A 102
GLU A 247
GLN A  78
TYR A  92
 None
None
None
ACY  B 305 (-4.4A)
 1.22A 3ugrA-4zohA:
undetectable		 3ugrA-4zohA:
19.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 TYR A  75
ASN A 176
GLU A 199
PRO A 325
 ACT  A 405 (-4.7A)
None
None
None
 0.61A 3ugrA-5az0A:
40.2		 3ugrA-5az0A:
32.16
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ASN A 558
GLN A 624
TYR A 598
PRO A 483
 None
 1.10A 3ugrA-5dkxA:
3.6		 3ugrA-5dkxA:
18.72
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.
5en2 GD01 HEAVY CHAIN
PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Argentinian
mammarenavirus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
no annotation 		4 TYR A  98
GLN C 176
PRO C 204
TYR C 203
 None
NAG  C 601 ( 4.6A)
None
None
 1.29A 3ugrA-5en2A:
undetectable		 3ugrA-5en2A:
18.98
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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		4 ASN A 196
GLU A 305
GLN A 310
TYR A 139
 None
 1.04A 3ugrA-5h71A:
undetectable		 3ugrA-5h71A:
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA
CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli) 		PF09481
(CRISPR_Cse1)
PF09704
(Cas_Cas5d) 		4 ASN A 131
GLU A 115
GLN A 151
TYR J  95
 None
 1.21A 3ugrA-5h9fA:
undetectable		 3ugrA-5h9fA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ASN B1211
GLU A  26
GLN A  18
PRO A 240
 None
 1.25A 3ugrA-5ip9B:
undetectable		 3ugrA-5ip9B:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		4 TYR A  12
GLU A 292
TYR A 234
TYR A 238
 None
 1.27A 3ugrA-5j1qA:
undetectable		 3ugrA-5j1qA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 TYR A1403
GLU A1437
GLN A1392
TYR A1435
 None
GLC  A1711 ( 3.0A)
None
None
 1.10A 3ugrA-5jbeA:
3.5		 3ugrA-5jbeA:
16.05
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.
5jx5 GLUCANASE

(Orpinomyces sp.
Y102) 		PF01341
(Glyco_hydro_6) 		4 GLU A 336
GLN A 341
TYR A 339
PRO A 368
 None
 0.99A 3ugrA-5jx5A:
5.9		 3ugrA-5jx5A:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ket ALDO-KETO REDUCTASE
1

(Coptotermes
gestroi) 		PF00248
(Aldo_ket_red) 		4 ASN A 167
GLN A  25
PRO A 329
TYR A 330
 NAP  A 400 (-3.3A)
None
None
None
 1.22A 3ugrA-5ketA:
41.9		 3ugrA-5ketA:
39.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ket ALDO-KETO REDUCTASE
1

(Coptotermes
gestroi) 		PF00248
(Aldo_ket_red) 		5 TYR A  52
ASN A 167
GLU A 190
PRO A 329
TYR A 330
 NAP  A 400 (-4.8A)
NAP  A 400 (-3.3A)
None
None
None
 0.84A 3ugrA-5ketA:
41.9		 3ugrA-5ketA:
39.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 TYR X  49
ASN X 161
GLU X 186
PRO X 311
 DQP  X 402 ( 4.0A)
NAP  X 401 (-3.2A)
None
None
 0.61A 3ugrA-5liyX:
44.2		 3ugrA-5liyX:
46.75
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		4 TYR A 657
ASN A 160
TYR A 545
TYR A 117
 NA  A 906 ( 4.6A)
BGC  A 901 (-3.0A)
None
None
 1.15A 3ugrA-5m60A:
undetectable		 3ugrA-5m60A:
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		4 TYR B 349
GLU B 368
TYR B 366
TYR B 393
 None
 1.26A 3ugrA-5m99B:
7.7		 3ugrA-5m99B:
20.88
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.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 4 GLN E 237
TYR E  24
PRO E  86
TYR E  87
 None
 1.20A 3ugrA-5mjsE:
undetectable		 3ugrA-5mjsE:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 TYR A 718
ASN A 896
TYR A 890
TYR A 966
 None
 1.25A 3ugrA-5mqsA:
undetectable		 3ugrA-5mqsA:
15.88
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.
5mrv CARBOXYPEPTIDASE O

(Homo sapiens) 		no annotation 4 TYR A  30
GLU A 312
TYR A 254
TYR A 258
 None
 1.27A 3ugrA-5mrvA:
undetectable		 3ugrA-5mrvA:
11.78
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.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 4 TYR B  52
GLU B 200
GLN B 133
PRO B 270
 None
 1.16A 3ugrA-5n5nB:
undetectable		 3ugrA-5n5nB:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 4 GLN A 263
TYR A 242
PRO A 144
TYR A 143
 None
 1.25A 3ugrA-5ta1A:
6.2		 3ugrA-5ta1A:
18.97
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 TYR 6 906
ASN 6 914
GLN 6 833
TYR 6 828
 None
 1.18A 3ugrA-5udb6:
undetectable		 3ugrA-5udb6:
15.13
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.
5uwv L,D-TRANSPEPTIDASE 2

(Mycobacteroides
abscessus) 		no annotation 4 ASN B 285
GLU B 386
TYR B 327
TYR B 289
 None
 1.19A 3ugrA-5uwvB:
undetectable		 3ugrA-5uwvB:
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.
5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3

(Mus musculus) 		no annotation 4 TYR A 136
GLU A  56
PRO A 412
TYR A 396
 PLP  A 701 (-4.7A)
None
None
None
 1.18A 3ugrA-5verA:
undetectable		 3ugrA-5verA:
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.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 4 TYR A 384
ASN A 243
GLU A 257
GLN A 280
 None
 1.32A 3ugrA-5wa0A:
undetectable		 3ugrA-5wa0A:
25.26
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 4 TYR A 492
GLN A 533
TYR A 527
TYR A 610
 None
None
PRO  A 802 (-4.7A)
None
 0.88A 3ugrA-5yp3A:
undetectable		 3ugrA-5yp3A:
14.19
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 4 ASN F 370
GLN F 336
TYR F 331
PRO F 374
 None
 1.24A 3ugrA-6btmF:
undetectable		 3ugrA-6btmF:
10.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 7 TYR A  55
ASN A 167
GLU A 192
GLN A 222
TYR A 305
PRO A 318
TYR A 319
 CJ2  A 402 ( 4.1A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 3.8A)
NAP  A 401 (-3.8A)
None
None
None
 0.37A 3ugrA-6f2uA:
51.1		 3ugrA-6f2uA:
100.00