SIMILAR PATTERNS OF AMINO ACIDS FOR 3R94_A_FLRA332

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 LEU A 513
ASN A 490
TYR A 426
TRP A 480
PRO A 492
 None
 1.44A 3r94A-1b41A:
undetectable		 3r94A-1b41A:
20.18
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 3r94A-1c9wA:
44.0		 3r94A-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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		5 TYR A 162
HIS A 186
SER A 171
ASN A  45
TYR A  88
 None
 1.44A 3r94A-1p3cA:
undetectable		 3r94A-1p3cA:
20.56
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
 0.41A 3r94A-1q5mA:
49.6		 3r94A-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
 0.68A 3r94A-1qwkA:
40.2		 3r94A-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
 0.67A 3r94A-1ralA:
39.4		 3r94A-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
 1.34A 3r94A-1ralA:
39.4		 3r94A-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
 0.50A 3r94A-2fvlA:
49.6		 3r94A-2fvlA:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  55
HIS A 117
ASN A 167
PHE A 311
PRO A 318
 FFA  A   3 ( 4.5A)
FFA  A   3 ( 4.1A)
NAP  A   1 (-3.3A)
None
None
 0.93A 3r94A-2ipfA:
48.9		 3r94A-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
 0.58A 3r94A-2ipfA:
48.9		 3r94A-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
 0.37A 3r94A-2ipjA:
50.2		 3r94A-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
 0.48A 3r94A-2is7A:
44.4		 3r94A-2is7A:
48.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 SER A 666
TYR A 122
PHE A 267
PRO A  88
TYR A 261
 None
GOL  A1979 (-4.5A)
None
None
None
 1.39A 3r94A-2ivfA:
undetectable		 3r94A-2ivfA:
18.74
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
 0.53A 3r94A-3cavA:
45.9		 3r94A-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
 1.17A 3r94A-3h7uA:
40.8		 3r94A-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
 0.44A 3r94A-3ln3A:
47.5		 3r94A-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
 0.71A 3r94A-3o3rA:
42.9		 3r94A-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
 0.79A 3r94A-3up8A:
36.6		 3r94A-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
HIS A 112
MET A 115
ASN A 144
 None
 1.09A 3r94A-3wbxA:
36.0		 3r94A-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
MET A 115
ASN A 144
PRO A 274
 None
 1.40A 3r94A-3wbxA:
36.0		 3r94A-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) 		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)
 0.43A 3r94A-3wczA:
42.5		 3r94A-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)
 0.60A 3r94A-3wg6A:
34.5		 3r94A-3wg6A:
32.46
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.
3wyr KILLER CELL
IMMUNOGLOBULIN-LIKE
RECEPTOR 2DL4

(Homo sapiens) 		PF00047
(ig) 		5 HIS A  80
SER A  81
PHE A  34
PHE A  77
TYR A  30
 None
 1.40A 3r94A-3wyrA:
undetectable		 3r94A-3wyrA:
20.36
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 SER A  28
ASN A  29
TYR A 563
PHE A 514
PRO A  20
 None
 1.16A 3r94A-4bziA:
undetectable		 3r94A-4bziA:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h8n CONJUGATED
POLYKETONE REDUCTASE
C2

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 TYR A  63
HIS A 125
SER A 126
ASN A 162
PHE A 299
 NDP  A3001 (-4.7A)
NDP  A3001 (-4.5A)
None
NDP  A3001 (-3.3A)
NDP  A3001 ( 4.2A)
 0.34A 3r94A-4h8nA:
31.2		 3r94A-4h8nA:
32.76
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) 		5 TYR A  48
ASN A 160
TYR A 207
PHE A 293
PRO A 305
 None
 0.85A 3r94A-4hbkA:
41.4		 3r94A-4hbkA:
39.94
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) 		5 TYR A  48
HIS A 110
ASN A 160
TYR A 207
PRO A 305
 None
 0.61A 3r94A-4hbkA:
41.4		 3r94A-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
 0.99A 3r94A-4ijrA:
38.1		 3r94A-4ijrA:
34.42
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
 0.49A 3r94A-4q3mA:
38.8		 3r94A-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
 0.61A 3r94A-5az0A:
40.3		 3r94A-5az0A:
32.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 LEU A 821
TYR A 825
SER A 774
PHE A 853
PHE A 857
 None
 1.34A 3r94A-5ffjA:
undetectable		 3r94A-5ffjA:
12.94
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
 1.05A 3r94A-5ketA:
42.1		 3r94A-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
 0.44A 3r94A-5liyX:
43.6		 3r94A-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
 1.40A 3r94A-5n6uA:
8.1		 3r94A-5n6uA:
18.16
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 5 LEU A  61
TYR A  62
TRP A 139
PHE A 141
TYR A 216
 None
None
None
None
8U8  A 713 (-3.8A)
 1.45A 3r94A-5ndxA:
7.7		 3r94A-5ndxA:
12.29
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 LEU A 554
SER A 530
TYR A 536
TRP A 461
PRO A 512
 None
GIF  A 901 ( 4.7A)
None
None
None
 1.48A 3r94A-5t9gA:
9.5		 3r94A-5t9gA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tfz DIMETHYLSULFONIOPROP
IONATE LYASE DDDK

(Candidatus
Pelagibacter
ubique) 		PF07883
(Cupin_2) 		5 TYR A  21
HIS A  56
TRP A 110
PHE A 117
PHE A 112
 None
NI  A 201 ( 3.8A)
7BC  A 202 ( 4.3A)
7BC  A 202 ( 4.9A)
None
 1.31A 3r94A-5tfzA:
undetectable		 3r94A-5tfzA:
19.29
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 LEU A  54
TYR A  55
HIS A 117
SER A 118
ASN A 167
TRP A 227
PHE A 306
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
None
None
 1.07A 3r94A-6f2uA:
50.2		 3r94A-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 LEU A  54
TYR A  55
HIS A 117
SER A 118
ASN A 167
TYR A 216
TRP A 227
PRO A 318
TYR A 319
 None
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
CJ2  A 402 ( 4.8A)
None
None
 0.49A 3r94A-6f2uA:
50.2		 3r94A-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 LEU A  54
TYR A  55
HIS A 117
SER A 118
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 ( 3.7A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
None
None
 0.35A 3r94A-6f2uA:
50.2		 3r94A-6f2uA:
100.00