SIMILAR PATTERNS OF AMINO ACIDS FOR 3UG8_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) 		7 HIS A 110
ASN A 160
TYR A 209
SER A 210
SER A 214
PRO A 310
TYR A 311
 NAP  A 350 (-4.0A)
NAP  A 350 (-3.2A)
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
NAP  A 350 (-2.9A)
None
None
 1.06A 3ug8A-1c9wA:
44.1		 3ug8A-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) 		7 TRP A  79
HIS A 110
ASN A 160
TYR A 209
SER A 210
SER A 214
PRO A 310
 None
NAP  A 350 (-4.0A)
NAP  A 350 (-3.2A)
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
NAP  A 350 (-2.9A)
None
 0.90A 3ug8A-1c9wA:
44.1		 3ug8A-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) 		7 TYR A  48
HIS A 110
ASN A 160
TYR A 209
SER A 210
PRO A 310
TYR A 311
 NAP  A 350 (-4.8A)
NAP  A 350 (-4.0A)
NAP  A 350 (-3.2A)
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
None
None
 0.75A 3ug8A-1c9wA:
44.1		 3ug8A-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) 		7 TYR A  48
TRP A  79
HIS A 110
ASN A 160
TYR A 209
SER A 210
PRO A 310
 NAP  A 350 (-4.8A)
None
NAP  A 350 (-4.0A)
NAP  A 350 (-3.2A)
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
None
 0.51A 3ug8A-1c9wA:
44.1		 3ug8A-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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 LEU A 127
TYR A 130
SER A 200
SER A 226
PHE A 330
 None
None
EMM  A1999 ( 1.4A)
None
SAF  A1998 (-3.1A)
 1.49A 3ug8A-1gqrA:
undetectable		 3ug8A-1gqrA:
19.77
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 459
SER A 511
SER A 734
PRO A 688
TYR A 682
 None
 1.49A 3ug8A-1kqfA:
undetectable		 3ug8A-1kqfA:
14.20
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 TYR A  53
HIS A 132
ASN A 180
TYR A 233
SER A 234
 None
NDP  A1400 (-4.4A)
NDP  A1400 (-3.2A)
NDP  A1400 (-3.2A)
NDP  A1400 (-2.7A)
 0.25A 3ug8A-1lqaA:
29.3		 3ug8A-1lqaA:
28.46
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) 		8 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
SER A 217
SER A 221
PRO A 318
 NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.4A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
None
 0.49A 3ug8A-1q5mA:
49.7		 3ug8A-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) 		5 TYR A  52
TRP A  83
HIS A 114
ASN A 154
TYR A 201
 None
 0.29A 3ug8A-1qwkA:
40.3		 3ug8A-1qwkA:
39.00
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) 		6 LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
 None
 0.70A 3ug8A-1ralA:
39.5		 3ug8A-1ralA:
70.19
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) 		5 TYR A  55
HIS A 117
MET A 120
ASN A 167
TYR A 216
 None
 1.38A 3ug8A-1ralA:
39.5		 3ug8A-1ralA:
70.19
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) 		5 TYR A  52
TRP A  79
HIS A 110
ASN A 140
SER A 188
 CIT  A4001 ( 4.2A)
None
CIT  A4001 ( 3.7A)
NAP  A3001 (-3.2A)
NAP  A3001 (-3.0A)
 0.33A 3ug8A-1vbjA:
39.0		 3ug8A-1vbjA:
38.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vp5 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		5 TYR A  50
TRP A  81
HIS A 112
ASN A 141
PHE A 270
 NAP  A 300 (-4.9A)
None
NAP  A 300 (-4.5A)
NAP  A 300 (-3.1A)
None
 0.94A 3ug8A-1vp5A:
39.5		 3ug8A-1vp5A:
35.61
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.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		5 LEU C 239
TYR C   5
MET C  34
SER C 319
PRO C 208
 None
 1.49A 3ug8A-1w36C:
undetectable		 3ug8A-1w36C:
14.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		5 TRP A  83
HIS A 114
ASN A 170
TYR A 217
SER A 224
 None
NAD  A1350 (-4.4A)
NAD  A1350 (-3.3A)
NAD  A1350 (-3.2A)
NAD  A1350 (-2.8A)
 0.98A 3ug8A-1z9aA:
40.5		 3ug8A-1z9aA:
39.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		6 TYR A  52
TRP A  83
HIS A 114
ASN A 170
TYR A 217
SER A 218
 None
None
NAD  A1350 (-4.4A)
NAD  A1350 (-3.3A)
NAD  A1350 (-3.2A)
NAD  A1350 (-3.5A)
 0.19A 3ug8A-1z9aA:
40.5		 3ug8A-1z9aA:
39.22
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) 		6 TYR A  58
TRP A  89
HIS A 120
ASN A 167
SER A 215
TYR A 310
 NAP  A 755 (-3.9A)
None
NAP  A 755 (-4.2A)
NAP  A 755 (-3.3A)
NAP  A 755 (-2.9A)
None
 0.91A 3ug8A-1zgdA:
39.9		 3ug8A-1zgdA:
38.91
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
ASN A 167
TYR A 214
SER A 215
SER A 219
 None
NDP  A1321 (-3.3A)
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
NDP  A1321 (-2.7A)
 0.74A 3ug8A-2bgsA:
39.8		 3ug8A-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) 		6 TYR A  60
TRP A  90
HIS A 121
ASN A 167
TYR A 214
SER A 215
 BCT  A1322 ( 4.4A)
None
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
 0.36A 3ug8A-2bgsA:
39.8		 3ug8A-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) 		8 LEU A  54
TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
SER A 217
PRO A 318
 None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
None
NAP  A1001 (-3.1A)
NAP  A1001 (-4.0A)
None
 0.59A 3ug8A-2fvlA:
49.8		 3ug8A-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) 		7 TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
None
 0.62A 3ug8A-2ipfA:
49.0		 3ug8A-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) 		8 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TYR A 216
SER A 217
SER A 221
PRO A 318
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
None
 0.46A 3ug8A-2ipjA:
50.3		 3ug8A-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 ASN A 160
TYR A 209
SER A 210
SER A 214
PRO A 310
 NAP  A 316 (-3.4A)
NAP  A 316 (-3.2A)
NAP  A 316 (-2.7A)
NAP  A 316 (-2.7A)
None
 0.90A 3ug8A-2is7A:
44.6		 3ug8A-2is7A:
48.15
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) 		7 TYR A  48
TRP A  79
HIS A 110
ASN A 160
TYR A 209
SER A 210
PRO A 310
 2CL  A 317 ( 4.5A)
None
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.4A)
NAP  A 316 (-3.2A)
NAP  A 316 (-2.7A)
None
 0.57A 3ug8A-2is7A:
44.6		 3ug8A-2is7A:
48.15
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) 		7 TYR A  58
TRP A  89
MET A 123
ASN A 170
TYR A 219
SER A 220
PRO A 321
 CI2  A 328 ( 4.5A)
None
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
None
 0.75A 3ug8A-3cavA:
46.1		 3ug8A-3cavA:
55.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 TYR A  54
TRP A  81
HIS A 112
ASN A 142
SER A 190
 NDP  A   1 (-4.8A)
None
NDP  A   1 (-4.0A)
NDP  A   1 (-3.3A)
NDP  A   1 (-2.7A)
 0.44A 3ug8A-3d3fA:
38.4		 3ug8A-3d3fA:
39.38
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) 		7 TYR A  48
TRP A  79
HIS A 110
ASN A 155
TYR A 202
SER A 203
SER A 207
 ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.4A)
NAP  A 401 (-3.1A)
NAP  A 401 (-2.8A)
NAP  A 401 (-4.8A)
 0.43A 3ug8A-3h7rA:
40.5		 3ug8A-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) 		6 TRP A  83
HIS A 114
ASN A 159
TYR A 206
SER A 207
SER A 211
 None
ACT  A 501 ( 3.8A)
NAP  A 401 (-3.3A)
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
NAP  A 401 (-2.6A)
 0.73A 3ug8A-3h7uA:
40.8		 3ug8A-3h7uA:
40.28
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) 		6 TYR A  52
TRP A  83
HIS A 114
ASN A 159
TYR A 206
SER A 207
 ACT  A 501 ( 4.4A)
None
ACT  A 501 ( 3.8A)
NAP  A 401 (-3.3A)
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
 0.34A 3ug8A-3h7uA:
40.8		 3ug8A-3h7uA:
40.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		6 TYR A  40
TRP A  73
HIS A 104
ASN A 156
TYR A 203
SER A 204
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.4A)
NAP  A 400 (-3.2A)
NAP  A 400 (-2.6A)
 0.40A 3ug8A-3krbA:
37.7		 3ug8A-3krbA:
36.15
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
TRP A  86
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
NAD  A 327 (-3.4A)
None
 0.43A 3ug8A-3ln3A:
47.6		 3ug8A-3ln3A:
64.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o3r ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B7

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		6 TYR A  49
TRP A  80
HIS A 111
ASN A 161
SER A 211
PRO A 311
 NAP  A 317 (-4.9A)
None
NAP  A 317 (-4.3A)
NAP  A 317 (-3.1A)
NAP  A 317 (-3.4A)
None
 0.67A 3ug8A-3o3rA:
43.0		 3ug8A-3o3rA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o3r ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B7

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		6 TYR A  49
TRP A  80
HIS A 111
ASN A 161
TYR A 210
SER A 211
 NAP  A 317 (-4.9A)
None
NAP  A 317 (-4.3A)
NAP  A 317 (-3.1A)
NAP  A 317 (-3.3A)
NAP  A 317 (-3.4A)
 0.30A 3ug8A-3o3rA:
43.0		 3ug8A-3o3rA:
45.32
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) 		5 TYR A  47
TRP A  74
HIS A 105
ASN A 136
PRO A 271
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
None
 0.73A 3ug8A-3up8A:
36.6		 3ug8A-3up8A:
33.33
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) 		5 TYR A  47
TRP A  74
HIS A 105
ASN A 136
TYR A 183
 ACT  A 276 (-4.6A)
None
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
 0.40A 3ug8A-3up8A:
36.6		 3ug8A-3up8A:
33.33
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) 		5 LEU A  57
TYR A  58
MET A 115
ASN A 144
PRO A 274
 None
 1.41A 3ug8A-3wbxA:
36.0		 3ug8A-3wbxA:
35.58
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) 		5 LEU A  57
TYR A  58
TRP A  81
ASN A 144
PRO A 274
 None
 0.86A 3ug8A-3wbxA:
36.0		 3ug8A-3wbxA:
35.58
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) 		5 LEU A  57
TYR A  58
TRP A  81
HIS A 112
ASN A 144
 None
 0.52A 3ug8A-3wbxA:
36.0		 3ug8A-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) 		7 TYR A  58
TRP A  89
HIS A 120
ASN A 159
TYR A 206
SER A 207
PRO A 307
 CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
EDO  A 405 ( 4.0A)
 0.56A 3ug8A-3wczA:
42.6		 3ug8A-3wczA:
40.56
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) 		5 TYR A  54
TRP A  81
HIS A 112
ASN A 150
SER A 198
 EDO  A 308 (-4.4A)
None
EDO  A 308 (-4.1A)
EDO  A 308 (-3.4A)
EDO  A 310 (-3.5A)
 0.48A 3ug8A-4f40A:
38.2		 3ug8A-4f40A:
37.13
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) 		6 TYR A  48
TRP A  79
HIS A 110
ASN A 160
TYR A 207
PRO A 305
 None
 0.59A 3ug8A-4hbkA:
41.5		 3ug8A-4hbkA:
39.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		6 TYR A  71
TRP A 102
HIS A 131
ASN A 193
TYR A 240
SER A 241
 NDP  A 401 (-4.7A)
None
NDP  A 401 (-3.9A)
NDP  A 401 (-3.3A)
NDP  A 401 (-3.3A)
NDP  A 401 (-2.8A)
 0.46A 3ug8A-4ijrA:
38.1		 3ug8A-4ijrA:
34.42
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.
4pmj PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 TYR A  57
HIS A 115
ASN A 145
TYR A 195
SER A 196
 None
NAP  A 301 (-4.4A)
NAP  A 301 (-3.4A)
NAP  A 301 (-3.2A)
NAP  A 301 (-2.7A)
 0.37A 3ug8A-4pmjA:
31.2		 3ug8A-4pmjA:
29.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q3m MGS-M4

(unidentified) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
TRP A  75
HIS A 106
ASN A 137
TYR A 184
 None
 0.30A 3ug8A-4q3mA:
38.8		 3ug8A-4q3mA:
38.82
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) 		8 TYR A  75
TRP A 106
HIS A 137
MET A 140
ASN A 176
TYR A 223
SER A 224
PRO A 325
 ACT  A 405 (-4.7A)
None
None
None
None
None
None
None
 0.83A 3ug8A-5az0A:
40.5		 3ug8A-5az0A:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		6 TYR A  58
TRP A  86
HIS A 117
ASN A 148
TYR A 198
SER A 199
 NAP  A 301 (-4.9A)
None
NAP  A 301 (-4.3A)
NAP  A 301 (-3.5A)
NAP  A 301 (-3.3A)
NAP  A 301 (-2.7A)
 0.46A 3ug8A-5danA:
32.2		 3ug8A-5danA:
35.02
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
ASN A 166
TYR A 213
SER A 214
SER A 218
 None
6KB  A 401 (-3.5A)
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
6KB  A 401 (-2.7A)
 0.74A 3ug8A-5jgyA:
39.9		 3ug8A-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) 		6 TYR A  59
TRP A  89
HIS A 120
ASN A 166
TYR A 213
SER A 214
 6KB  A 401 ( 4.6A)
None
6KB  A 401 ( 4.0A)
6KB  A 401 (-3.5A)
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
 0.36A 3ug8A-5jgyA:
39.9		 3ug8A-5jgyA:
38.81
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) 		6 TYR A  52
HIS A 114
ASN A 167
TYR A 214
PRO A 329
TYR A 330
 NAP  A 400 (-4.8A)
NAP  A 400 (-4.3A)
NAP  A 400 (-3.3A)
NAP  A 400 (-3.6A)
None
None
 0.87A 3ug8A-5ketA:
42.3		 3ug8A-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) 		5 TRP X  80
ASN X 161
TYR X 210
SER X 211
SER X 215
 None
NAP  X 401 (-3.2A)
NAP  X 401 ( 3.1A)
NAP  X 401 (-2.8A)
NAP  X 401 (-2.7A)
 0.83A 3ug8A-5liyX:
43.8		 3ug8A-5liyX:
46.75
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) 		7 TYR X  49
TRP X  80
HIS X 111
ASN X 161
TYR X 210
SER X 211
PRO X 311
 DQP  X 402 ( 4.0A)
None
DQP  X 402 ( 4.1A)
NAP  X 401 (-3.2A)
NAP  X 401 ( 3.1A)
NAP  X 401 (-2.8A)
None
 0.51A 3ug8A-5liyX:
43.8		 3ug8A-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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 TRP A 117
MET A 109
TYR A 186
SER A  34
SER A 237
 None
 1.49A 3ug8A-5vemA:
undetectable		 3ug8A-5vemA:
21.70
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 LEU A  54
TRP A  86
MET A 120
SER A 217
PRO A 318
TYR A 319
 None
None
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 2.7A)
None
None
 1.14A 3ug8A-6f2uA:
50.6		 3ug8A-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 11 LEU A  54
TYR A  55
TRP A  86
HIS A 117
MET A 120
ASN A 167
TYR A 216
SER A 217
SER A 221
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
None
None
 0.39A 3ug8A-6f2uA:
50.6		 3ug8A-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 TRP A  86
MET A 120
ASN A 167
TYR A 216
SER A 217
SER A 221
PHE A 306
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
CJ2  A 402 (-3.8A)
None
None
 0.72A 3ug8A-6f2uA:
50.6		 3ug8A-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 TRP A  86
MET A 120
SER A 217
PHE A 306
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-3.8A)
None
None
 1.08A 3ug8A-6f2uA:
50.6		 3ug8A-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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		3 TYR A 526
GLU A 365
TYR A 364
 None
NAG  A 600 ( 4.3A)
NAG  A 600 ( 4.4A)
 0.88A 3ug8A-1aqlA:
1.6		 3ug8A-1aqlA:
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.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		3 TYR A 151
GLU A 134
TYR A 156
 None
 0.96A 3ug8A-1db3A:
2.1		 3ug8A-1db3A:
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.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		3 TYR A 399
GLU A  55
TYR A 205
 FAD  A 579 (-4.3A)
None
None
 0.79A 3ug8A-1h81A:
0.0		 3ug8A-1h81A:
23.52
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		3 TYR A  73
GLU A  77
TYR A  54
 None
 0.83A 3ug8A-1i4wA:
0.5		 3ug8A-1i4wA:
23.10
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.
1j2o FUSION OF
RHOMBOTIN-2 AND LIM
DOMAIN-BINDING
PROTEIN 1

(Mus musculus) 		PF00412
(LIM) 		3 TYR A  25
GLU A  28
TYR A  17
 None
 1.00A 3ug8A-1j2oA:
undetectable		 3ug8A-1j2oA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 TYR A 339
GLU A 360
TYR A 163
 None
 0.83A 3ug8A-1lnlA:
0.0		 3ug8A-1lnlA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ltd FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF00173
(Cyt-b5)
PF01070
(FMN_dh) 		3 TYR A 442
GLU A 129
TYR A 126
 None
 1.02A 3ug8A-1ltdA:
11.9		 3ug8A-1ltdA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 TYR B 380
GLU D 769
TYR B 385
 None
 0.86A 3ug8A-1o7dB:
undetectable		 3ug8A-1o7dB:
13.71
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.
1pgs PEPTIDE-N(4)-(N-ACET
YL-BETA-D-GLUCOSAMIN
YL)ASPARAGINE
AMIDASE F

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		3 TYR A  85
GLU A 118
TYR A  62
 None
 0.93A 3ug8A-1pgsA:
undetectable		 3ug8A-1pgsA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		3 TYR A 259
GLU A 277
TYR A 154
 None
 0.95A 3ug8A-1q8fA:
2.0		 3ug8A-1q8fA:
20.73
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.
1r0v TRNA-INTRON
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		3 TYR A 297
GLU A 259
TYR A 246
 None
 0.74A 3ug8A-1r0vA:
undetectable		 3ug8A-1r0vA:
22.00
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		3 TYR A  46
GLU A 101
TYR A 283
 None
 0.73A 3ug8A-1r6vA:
1.9		 3ug8A-1r6vA:
18.28
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.
1ryo SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 TYR A 223
GLU A 212
TYR A 188
 None
None
OXL  A 328 ( 3.7A)
 1.02A 3ug8A-1ryoA:
undetectable		 3ug8A-1ryoA:
21.43
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.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 TYR A 309
GLU A 394
TYR A 111
 None
 1.02A 3ug8A-1u3dA:
undetectable		 3ug8A-1u3dA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wfu UNNAMED PROTEIN
PRODUCT

(Mus musculus) 		no annotation 3 TYR A  70
GLU A  33
TYR A  35
 None
 0.92A 3ug8A-1wfuA:
undetectable		 3ug8A-1wfuA:
17.13
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		3 TYR A 106
GLU A 129
TYR A  86
 None
 0.78A 3ug8A-1xp4A:
undetectable		 3ug8A-1xp4A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zb1 BRO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF03097
(BRO1) 		3 TYR A 351
GLU A 345
TYR A 156
 None
 0.95A 3ug8A-1zb1A:
undetectable		 3ug8A-1zb1A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A  81
GLU A  55
TYR A  20
 None
 0.94A 3ug8A-1zltA:
undetectable		 3ug8A-1zltA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzw APOPTOSIS REGULATOR
BCL-X
BCL2-ANTAGONIST OF
CELL DEATH

(Mus musculus) 		PF00452
(Bcl-2)
PF02180
(BH4)
PF10514
(Bcl-2_BAD) 		3 TYR B 105
GLU A 124
TYR A 173
 None
 0.81A 3ug8A-2bzwB:
undetectable		 3ug8A-2bzwB:
8.33
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.
2di4 CELL DIVISION
PROTEIN FTSH HOMOLOG

(Aquifex
aeolicus) 		PF01434
(Peptidase_M41) 		3 TYR A 467
GLU A 560
TYR A 559
 None
 1.01A 3ug8A-2di4A:
undetectable		 3ug8A-2di4A:
23.68
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) 		3 TYR A  24
GLU A 192
TYR A 305
 None
 0.23A 3ug8A-2fvlA:
49.8		 3ug8A-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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 TYR A 514
GLU A 611
TYR A 509
 None
 1.02A 3ug8A-2g3nA:
undetectable		 3ug8A-2g3nA:
19.00
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.
2h6c CHLOROPHENOL
REDUCTION GENE K

(Desulfitobacterium
dehalogenans) 		PF13545
(HTH_Crp_2) 		3 TYR A  76
GLU A  72
TYR A  95
 None
 1.03A 3ug8A-2h6cA:
undetectable		 3ug8A-2h6cA:
23.05
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 TYR A 239
GLU A 214
TYR A 234
 None
 1.00A 3ug8A-2hnhA:
undetectable		 3ug8A-2hnhA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ido DNA POLYMERASE III
EPSILON SUBUNIT
HOT PROTEIN

(Escherichia
coli;
Escherichia
virus P1) 		PF00929
(RNase_T)
PF06440
(DNA_pol3_theta) 		3 TYR A  51
GLU A  71
TYR B  28
 None
 0.89A 3ug8A-2idoA:
undetectable		 3ug8A-2idoA:
23.10
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.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		3 TYR A 180
GLU A 227
TYR A 230
 None
 0.88A 3ug8A-2j4gA:
5.7		 3ug8A-2j4gA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohc TRNA-SPLICING
ENDONUCLEASE

(Thermoplasma
acidophilum) 		PF01974
(tRNA_int_endo) 		3 TYR A 279
GLU A 238
TYR A 229
 None
 0.82A 3ug8A-2ohcA:
undetectable		 3ug8A-2ohcA:
21.16
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.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		3 TYR A 368
GLU A 351
TYR A 350
 None
 0.73A 3ug8A-2ohfA:
undetectable		 3ug8A-2ohfA:
25.06
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.
2q00 ORF C02003 PROTEIN

(Sulfolobus
solfataricus) 		PF05942
(PaREP1) 		3 TYR A  11
GLU A  28
TYR A  31
 None
 0.99A 3ug8A-2q00A:
undetectable		 3ug8A-2q00A:
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		3 TYR A 254
GLU A 305
TYR A 272
 None
 0.90A 3ug8A-2q07A:
undetectable		 3ug8A-2q07A:
22.63
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		3 TYR A 124
GLU A 113
TYR A 140
 None
 0.84A 3ug8A-2qgmA:
undetectable		 3ug8A-2qgmA:
21.69
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		3 TYR A  91
GLU A  52
TYR A   7
 None
 1.00A 3ug8A-2qlzA:
undetectable		 3ug8A-2qlzA:
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.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		3 TYR A 203
GLU A 236
TYR A 207
 None
 0.94A 3ug8A-2rc5A:
undetectable		 3ug8A-2rc5A:
23.76
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.
2uy1 CLEAVAGE STIMULATION
FACTOR 77

(Encephalitozoon
cuniculi) 		PF05843
(Suf) 		3 TYR A 112
GLU A  72
TYR A  68
 None
 1.01A 3ug8A-2uy1A:
undetectable		 3ug8A-2uy1A:
22.38
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.
2v8o FLAVIVIRIN PROTEASE
NS3

(Murray Valley
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		3 TYR A 518
GLU A 513
TYR A 510
 None
 0.79A 3ug8A-2v8oA:
undetectable		 3ug8A-2v8oA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		3 TYR A 236
GLU A 215
TYR A 267
 None
 0.93A 3ug8A-2x2iA:
4.6		 3ug8A-2x2iA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		3 TYR A 699
GLU A 667
TYR A 531
 None
 0.76A 3ug8A-2xaxA:
undetectable		 3ug8A-2xaxA:
16.84
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.
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		3 TYR A 142
GLU A 139
TYR A 388
 PLP  A1427 ( 3.6A)
None
None
 1.02A 3ug8A-2xh1A:
undetectable		 3ug8A-2xh1A:
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		3 TYR A 608
GLU A 615
TYR A 612
 None
 0.96A 3ug8A-2y3aA:
undetectable		 3ug8A-2y3aA:
14.57
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		3 TYR A 161
GLU A 212
TYR A 152
 EDO  A 552 (-4.9A)
None
None
 0.94A 3ug8A-2yeqA:
undetectable		 3ug8A-2yeqA:
18.42
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 TYR A 409
GLU A  63
TYR A 416
 None
 1.00A 3ug8A-2zxhA:
undetectable		 3ug8A-2zxhA:
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.
3chx PMOC

(Methylosinus
trichosporium) 		PF04896
(AmoC) 		3 TYR C 157
GLU C  69
TYR C 151
 None
 0.83A 3ug8A-3chxC:
undetectable		 3ug8A-3chxC:
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 TYR A 313
GLU A 317
TYR A 316
 None
 0.95A 3ug8A-3g4fA:
undetectable		 3ug8A-3g4fA:
19.89
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.
3gpu DNA GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		3 TYR A 268
GLU A 179
TYR A 240
 None
 0.95A 3ug8A-3gpuA:
undetectable		 3ug8A-3gpuA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 TYR B 181
GLU B 161
TYR B 177
 None
 0.95A 3ug8A-3h1lB:
undetectable		 3ug8A-3h1lB:
20.45
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		3 TYR A 252
GLU A 268
TYR A 329
 None
 1.01A 3ug8A-3hlkA:
undetectable		 3ug8A-3hlkA:
21.26
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.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		3 TYR B 142
GLU B  66
TYR B  65
 None
 1.02A 3ug8A-3hrdB:
undetectable		 3ug8A-3hrdB:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		3 TYR A 345
GLU A 353
TYR A 217
 None
 0.99A 3ug8A-3k9tA:
undetectable		 3ug8A-3k9tA:
20.56
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.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 TYR A 357
GLU A 339
TYR A 342
 None
 1.00A 3ug8A-3kdnA:
11.6		 3ug8A-3kdnA:
21.44
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.
3l3b ES1 FAMILY PROTEIN

(Ehrlichia
chaffeensis) 		PF01965
(DJ-1_PfpI) 		3 TYR A  96
GLU A  22
TYR A 194
 None
 0.99A 3ug8A-3l3bA:
undetectable		 3ug8A-3l3bA:
23.42
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) 		3 TYR A  24
GLU A 192
TYR A 305
 MLY  A  25 (-3.6A)
None
None
 0.61A 3ug8A-3ln3A:
47.6		 3ug8A-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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		3 TYR A 183
GLU A 186
TYR A 287
 None
 0.93A 3ug8A-3lwuA:
undetectable		 3ug8A-3lwuA:
22.79
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		3 TYR A 106
GLU A  75
TYR A  39
 None
GOL  A 433 ( 4.8A)
None
 1.02A 3ug8A-3n9xA:
undetectable		 3ug8A-3n9xA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 3 TYR B 301
GLU B 286
TYR B 296
 None
 0.97A 3ug8A-3nwaB:
undetectable		 3ug8A-3nwaB:
17.46
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.
3obe SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		3 TYR A 193
GLU A 227
TYR A 224
 None
 1.01A 3ug8A-3obeA:
9.5		 3ug8A-3obeA:
23.08
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		3 TYR A 129
GLU A 154
TYR A 111
 None
LLP  A 208 ( 4.2A)
LLP  A 208 (-3.7A)
 0.86A 3ug8A-3qi6A:
undetectable		 3ug8A-3qi6A:
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		3 TYR A 353
GLU A 343
TYR A 265
 GOL  A 417 (-3.7A)
None
None
 0.85A 3ug8A-3s9jA:
undetectable		 3ug8A-3s9jA:
19.90
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.
3smd MUTT/NUDIX FAMILY
PROTEIN

(Bacillus
thuringiensis) 		PF00293
(NUDIX) 		3 TYR A 100
GLU A  53
TYR A   6
 None
 1.01A 3ug8A-3smdA:
undetectable		 3ug8A-3smdA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		3 TYR A 231
GLU A 273
TYR A 220
 None
 0.93A 3ug8A-3syjA:
undetectable		 3ug8A-3syjA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		3 TYR A  54
GLU A 384
TYR A 338
 None
 0.82A 3ug8A-3tqoA:
undetectable		 3ug8A-3tqoA:
21.38
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.
3uws HYPOTHETICAL PROTEIN

(Parabacteroides
merdae) 		PF03415
(Peptidase_C11) 		3 TYR B 241
GLU B 203
TYR B 332
 None
 0.81A 3ug8A-3uwsB:
undetectable		 3ug8A-3uwsB:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vp5 TRANSCRIPTIONAL
REGULATOR

(Lactococcus
lactis) 		PF00440
(TetR_N) 		3 TYR A  60
GLU A 118
TYR A 117
 None
 0.90A 3ug8A-3vp5A:
undetectable		 3ug8A-3vp5A:
22.26
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		3 TYR A 553
GLU A 556
TYR A 506
 None
 1.01A 3ug8A-3w3aA:
undetectable		 3ug8A-3w3aA:
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		3 TYR A 399
GLU A  12
TYR A 402
 None
 0.98A 3ug8A-3wfzA:
8.0		 3ug8A-3wfzA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zty MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Thermus
thermophilus) 		PF08282
(Hydrolase_3) 		3 TYR A 137
GLU A 139
TYR A 110
 None
 0.94A 3ug8A-3ztyA:
undetectable		 3ug8A-3ztyA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		3 TYR A 454
GLU A 340
TYR A 341
 None
 0.82A 3ug8A-4ci7A:
undetectable		 3ug8A-4ci7A:
20.61
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		3 TYR A 655
GLU A 647
TYR A 575
 None
 0.95A 3ug8A-4cvuA:
undetectable		 3ug8A-4cvuA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d59 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		3 TYR A 454
GLU A 340
TYR A 341
 None
 0.81A 3ug8A-4d59A:
undetectable		 3ug8A-4d59A:
23.02
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 TYR A  77
GLU A 205
TYR A 209
 None
 0.90A 3ug8A-4gaxA:
undetectable		 3ug8A-4gaxA:
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		3 TYR A 134
GLU A 143
TYR A 145
 None
ACT  A 411 ( 4.5A)
ACT  A 411 (-4.0A)
 0.87A 3ug8A-4i1dA:
undetectable		 3ug8A-4i1dA:
21.27
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		3 TYR A 215
GLU A 143
TYR A 189
 None
 0.93A 3ug8A-4k2bA:
undetectable		 3ug8A-4k2bA:
23.89
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 TYR A 137
GLU A 130
TYR A 203
 None
 0.93A 3ug8A-4l7tA:
undetectable		 3ug8A-4l7tA:
21.16
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.
4mt4 CMEC

(Campylobacter
jejuni) 		PF02321
(OEP) 		3 TYR A 187
GLU A 203
TYR A 202
 None
 0.62A 3ug8A-4mt4A:
undetectable		 3ug8A-4mt4A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans) 		PF03480
(DctP) 		3 TYR A  62
GLU A  56
TYR A  53
 None
 1.01A 3ug8A-4nhbA:
undetectable		 3ug8A-4nhbA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		3 TYR A 503
GLU A 289
TYR A 293
 None
 0.75A 3ug8A-4r12A:
undetectable		 3ug8A-4r12A:
20.21
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.
4uij BTB/POZ
DOMAIN-CONTAINING
ADAPTER FOR
CUL3-MEDIATED RHOA
DEGRADATION PROTEIN
1

(Homo sapiens) 		PF02214
(BTB_2) 		3 TYR A  99
GLU A 120
TYR A 123
 None
 1.01A 3ug8A-4uijA:
undetectable		 3ug8A-4uijA:
18.84
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 TYR A 538
GLU A 529
TYR A 525
 None
 0.84A 3ug8A-4uplA:
undetectable		 3ug8A-4uplA:
20.91
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		3 TYR A 116
GLU A 129
TYR A 132
 None
 0.99A 3ug8A-4v2iA:
undetectable		 3ug8A-4v2iA:
21.88
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		3 TYR A 455
GLU A 239
TYR A 236
 None
 1.00A 3ug8A-4x9eA:
undetectable		 3ug8A-4x9eA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a15 BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD16

(Homo sapiens) 		PF02214
(BTB_2) 		3 TYR A  88
GLU A 109
TYR A 112
 None
 0.91A 3ug8A-5a15A:
undetectable		 3ug8A-5a15A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a98 POLYHEDRIN

(Cypovirus 15) 		no annotation 3 TYR A 167
GLU A  48
TYR A  28
 None
 1.00A 3ug8A-5a98A:
undetectable		 3ug8A-5a98A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		3 TYR A1098
GLU A 966
TYR A 965
 None
 0.99A 3ug8A-5amqA:
undetectable		 3ug8A-5amqA:
9.81
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.
5c0y EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 TYR A 192
GLU A 186
TYR A 185
 None
 0.96A 3ug8A-5c0yA:
undetectable		 3ug8A-5c0yA:
23.33
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.
5cwb DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 3 TYR A 103
GLU A 154
TYR A 153
 None
 0.85A 3ug8A-5cwbA:
undetectable		 3ug8A-5cwbA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dyn PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF03415
(Peptidase_C11) 		3 TYR B 305
GLU B 204
TYR B 345
 None
 0.91A 3ug8A-5dynB:
undetectable		 3ug8A-5dynB:
21.43
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 TYR A 239
GLU A 214
TYR A 234
 None
 0.76A 3ug8A-5fkuA:
3.5		 3ug8A-5fkuA:
14.88
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.
5fq8 BT_2262
(UNCHARACTERISED
LIPOPROTEIN)

(Bacteroides
thetaiotaomicron) 		PF16403
(DUF5011)
PF16404
(DUF5012) 		3 TYR G  69
GLU G  18
TYR G  39
 None
 0.85A 3ug8A-5fq8G:
undetectable		 3ug8A-5fq8G:
20.91
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.
5fta BTB/POZ
DOMAIN-CONTAINING
ADAPTER FOR
CUL3-MEDIATED RHOA
DEGRADATION PROTEIN
3

(Homo sapiens) 		PF02214
(BTB_2) 		3 TYR A  90
GLU A 111
TYR A 114
 None
 0.98A 3ug8A-5ftaA:
undetectable		 3ug8A-5ftaA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF04153
(NOT2_3_5) 		3 TYR B 518
GLU B 522
TYR B 471
 None
 0.84A 3ug8A-5fu7B:
undetectable		 3ug8A-5fu7B:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		3 TYR A1197
GLU A1437
TYR A1435
 None
GLC  A1711 ( 3.0A)
None
 0.85A 3ug8A-5jbeA:
2.0		 3ug8A-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.
5jkq PFVFT1

(Plasmodium
falciparum) 		no annotation 3 TYR A  38
GLU A 130
TYR A 126
 None
 0.97A 3ug8A-5jkqA:
undetectable		 3ug8A-5jkqA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 TYR A 418
GLU A 413
TYR A 412
 None
 0.93A 3ug8A-5jqkA:
undetectable		 3ug8A-5jqkA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 TYR A 682
GLU A 689
TYR A 686
 None
 0.89A 3ug8A-5ljoA:
undetectable		 3ug8A-5ljoA:
17.50
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.
5ohs -

(-) 		no annotation 3 TYR A 161
GLU A 117
TYR A 165
 None
 0.88A 3ug8A-5ohsA:
undetectable		 3ug8A-5ohsA:
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.
5owx GENOME POLYPROTEIN

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		3 TYR 1  72
GLU 2 128
TYR 1 130
 None
 0.96A 3ug8A-5owx1:
undetectable		 3ug8A-5owx1:
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		3 TYR A 125
GLU A 150
TYR A 107
 None
PLP  A 401 ( 3.8A)
PLP  A 401 (-4.0A)
 0.97A 3ug8A-5x5hA:
undetectable		 3ug8A-5x5hA:
24.71
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.
5xvm STEROL
3-BETA-GLUCOSYLTRANS
FERASE

(Saccharomyces
cerevisiae) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		3 TYR A 740
GLU A1158
TYR A1161
 None
 0.90A 3ug8A-5xvmA:
undetectable		 3ug8A-5xvmA:
20.25
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 3 TYR A 301
GLU A 286
TYR A 296
 None
 1.02A 3ug8A-6bm8A:
undetectable		 3ug8A-6bm8A:
12.39
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.
6byw GOXA

(Pseudoalteromonas
luteoviolacea) 		no annotation 3 TYR B 190
GLU B 587
TYR B 578
 None
None
TRQ  B 697 ( 3.8A)
 0.92A 3ug8A-6bywB:
undetectable		 3ug8A-6bywB:
16.22
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 3 TYR A  24
GLU A 192
TYR A 305
 CJ2  A 402 (-4.2A)
CJ2  A 402 ( 3.8A)
None
 0.23A 3ug8A-6f2uA:
50.6		 3ug8A-6f2uA:
100.00