SIMILAR PATTERNS OF AMINO ACIDS FOR 3UG8_A_IMNA2001_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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