SIMILAR PATTERNS OF AMINO ACIDS FOR 3R58_A_NPSA332_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) 		6 TYR A  48
HIS A 110
ASN A 160
TYR A 209
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)
None
None
 0.68A 3r58A-1c9wA:
44.3		 3r58A-1c9wA:
46.73
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
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 NDP  A1003 (-4.9A)
NDP  A1003 (-4.3A)
NDP  A1003 (-3.4A)
NDP  A1003 (-3.2A)
None
 0.32A 3r58A-1q5mA:
49.7		 3r58A-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
HIS A 114
ASN A 154
TYR A 201
PHE A 299
 None
 0.55A 3r58A-1qwkA:
40.4		 3r58A-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) 		5 LEU A  54
TYR A  55
HIS A 117
ASN A 167
TYR A 216
 None
 0.57A 3r58A-1ralA:
39.4		 3r58A-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
 1.31A 3r58A-1ralA:
39.4		 3r58A-1ralA:
70.19
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 LEU A  54
TYR A  55
HIS A 117
MET A 120
ASN A 167
PRO A 318
 None
NAP  A1001 (-4.7A)
NAP  A1001 (-4.4A)
None
NAP  A1001 (-3.1A)
None
 0.51A 3r58A-2fvlA:
49.9		 3r58A-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) 		6 TYR A  55
HIS A 117
MET A 120
ASN A 167
PHE A 311
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
None
None
 1.15A 3r58A-2ipfA:
49.0		 3r58A-2ipfA:
72.41
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
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.3A)
NAP  A   1 (-3.5A)
None
 0.53A 3r58A-2ipfA:
49.0		 3r58A-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
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
None
 0.30A 3r58A-2ipjA:
50.5		 3r58A-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 TYR A  48
HIS A 110
ASN A 160
TYR A 209
PRO A 310
 2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.4A)
NAP  A 316 (-3.2A)
None
 0.41A 3r58A-2is7A:
44.7		 3r58A-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) 		5 TYR A  58
MET A 123
ASN A 170
TYR A 219
PRO A 321
 CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
NAP  A 327 (-3.4A)
None
 0.46A 3r58A-3cavA:
46.2		 3r58A-3cavA:
55.52
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 TYR A  52
HIS A 114
ASN A 159
TYR A 206
PHE A 295
 ACT  A 501 ( 4.4A)
ACT  A 501 ( 3.8A)
NAP  A 401 (-3.3A)
NAP  A 401 (-3.2A)
None
 1.15A 3r58A-3h7uA:
40.9		 3r58A-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  55
HIS A 117
ASN A 167
TYR A 216
PRO A 318
 NAD  A 327 ( 4.7A)
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
NAD  A 327 (-3.4A)
None
 0.35A 3r58A-3ln3A:
47.7		 3r58A-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) 		5 TYR A  49
HIS A 111
ASN A 161
TYR A 210
PRO A 311
 NAP  A 317 (-4.9A)
NAP  A 317 (-4.3A)
NAP  A 317 (-3.1A)
NAP  A 317 (-3.3A)
None
 0.63A 3r58A-3o3rA:
43.2		 3r58A-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
HIS A 105
ASN A 136
TYR A 183
PRO A 271
 ACT  A 276 (-4.6A)
ACT  A 276 (-3.9A)
None
ACT  A 276 (-3.7A)
None
 0.77A 3r58A-3up8A:
36.7		 3r58A-3up8A:
33.33
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) 		5 TYR A  58
HIS A 120
ASN A 159
TYR A 206
PRO A 307
 CIT  A 406 ( 3.2A)
NAP  A 401 (-4.0A)
NAP  A 401 ( 2.8A)
NAP  A 401 (-3.2A)
EDO  A 405 ( 4.0A)
 0.31A 3r58A-3wczA:
42.5		 3r58A-3wczA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wg6 CONJUGATED
POLYKETONE REDUCTASE
C1

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 TYR A  60
HIS A 125
ASN A 161
TYR A 211
PHE A 296
 NDP  A3001 (-4.7A)
NDP  A3001 (-4.2A)
NDP  A3001 (-3.1A)
NDP  A3001 (-3.3A)
NDP  A3001 (-3.7A)
 0.59A 3r58A-3wg6A:
34.6		 3r58A-3wg6A:
32.46
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
HIS A 110
ASN A 160
TYR A 207
PHE A 293
PRO A 305
 None
 0.79A 3r58A-4hbkA:
41.7		 3r58A-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) 		5 TYR A  71
HIS A 131
ASN A 193
TYR A 240
PHE A 325
 NDP  A 401 (-4.7A)
NDP  A 401 (-3.9A)
NDP  A 401 (-3.3A)
NDP  A 401 (-3.3A)
None
 0.96A 3r58A-4ijrA:
38.1		 3r58A-4ijrA:
34.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		5 TYR A  57
HIS A 115
ASN A 147
TYR A 194
PRO A 276
 MLI  A 302 (-4.4A)
MLI  A 302 (-4.0A)
None
MLI  A 302 (-4.1A)
None
 0.84A 3r58A-4otkA:
38.0		 3r58A-4otkA:
32.34
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
HIS A 106
ASN A 137
TYR A 184
PHE A 266
 None
 0.38A 3r58A-4q3mA:
39.0		 3r58A-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) 		6 TYR A  75
HIS A 137
MET A 140
ASN A 176
TYR A 223
PRO A 325
 ACT  A 405 (-4.7A)
None
None
None
None
None
 0.60A 3r58A-5az0A:
40.3		 3r58A-5az0A:
32.16
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) 		7 TYR A  52
HIS A 114
ASN A 167
TYR A 214
PHE A 314
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)
NAP  A 400 (-4.6A)
None
None
 1.01A 3r58A-5ketA:
42.4		 3r58A-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 TYR X  49
HIS X 111
ASN X 161
TYR X 210
PRO X 311
 DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
NAP  X 401 (-3.2A)
NAP  X 401 ( 3.1A)
None
 0.38A 3r58A-5liyX:
43.9		 3r58A-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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 MET A 378
ASN A 353
PHE A 319
PRO A 261
TYR A 264
 None
 1.45A 3r58A-5n6uA:
8.5		 3r58A-5n6uA:
18.16
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 LEU A  54
TYR A  55
HIS A 117
ASN A 167
PHE A 306
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.3A)
CJ2  A 402 (-3.8A)
None
None
 1.08A 3r58A-6f2uA:
50.2		 3r58A-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 8 LEU A  54
TYR A  55
HIS A 117
MET A 120
ASN A 167
TYR A 216
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
None
None
 0.37A 3r58A-6f2uA:
50.2		 3r58A-6f2uA:
100.00