SIMILAR PATTERNS OF AMINO ACIDS FOR 1S2A_A_IMNA2001

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		5 TRP A  79
HIS A 110
GLU A 185
TYR A 209
SER A 210
 None
NAP  A 350 (-4.0A)
None
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
 0.26A 1s2aA-1c9wA:
45.6		 1s2aA-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) 		6 TRP A  86
HIS A 117
GLU A 192
TYR A 216
SER A 217
TRP A 227
 None
NDP  A1003 (-4.3A)
None
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
 1.00A 1s2aA-1q5mA:
51.3		 1s2aA-1q5mA:
77.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TRP A  86
HIS A 117
GLU A 192
TYR A 216
SER A 217
 None
None
NDP  A1003 (-4.3A)
None
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
 0.40A 1s2aA-1q5mA:
51.3		 1s2aA-1q5mA:
77.02
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
TRP A  86
HIS A 117
GLU A 192
TYR A 216
 None
 0.65A 1s2aA-1ralA:
41.2		 1s2aA-1ralA:
70.19
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
GLU A 193
TYR A 217
SER A 218
 None
NAD  A1350 (-4.4A)
None
NAD  A1350 (-3.2A)
NAD  A1350 (-3.5A)
 0.30A 1s2aA-1z9aA:
41.5		 1s2aA-1z9aA:
39.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 TRP A  90
HIS A 121
GLU A 190
TYR A 214
SER A 215
 None
BCT  A1322 ( 3.9A)
None
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
 0.26A 1s2aA-2bgsA:
39.7		 1s2aA-2bgsA:
33.97
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 TYR A  24
LEU A  54
TRP A  86
HIS A 117
MET A 120
GLU A 192
SER A 217
GLN A 222
 None
None
None
NAP  A1001 (-4.4A)
None
None
NAP  A1001 (-4.0A)
NAP  A1001 (-4.0A)
 0.59A 1s2aA-2fvlA:
51.5		 1s2aA-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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 LEU A 518
HIS A 386
SER A 387
MET A 388
GLN A 111
 None
None
ZN  A 601 (-3.5A)
None
None
 1.37A 1s2aA-2h1nA:
undetectable		 1s2aA-2h1nA:
21.29
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 TRP A  86
HIS A 117
MET A 120
GLU A 192
TYR A 216
GLN A 222
 None
FFA  A   3 ( 4.1A)
None
None
NAP  A   1 (-3.5A)
NAP  A   1 (-4.7A)
 0.82A 1s2aA-2ipfA:
50.6		 1s2aA-2ipfA:
71.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP A  86
HIS A 117
GLU A 192
TYR A 216
SER A 217
 None
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
 0.28A 1s2aA-2ipjA:
51.3		 1s2aA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP A  86
HIS A 117
GLU A 192
TYR A 216
TRP A 227
 None
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
 1.49A 1s2aA-2ipjA:
51.3		 1s2aA-2ipjA:
86.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP A  79
HIS A 110
GLU A 185
TYR A 209
SER A 210
 None
2CL  A 317 ( 3.8A)
None
NAP  A 316 (-3.2A)
NAP  A 316 (-2.7A)
 0.21A 1s2aA-2is7A:
46.4		 1s2aA-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.
2x60 MANNOSE-1-PHOSPHATE
GUANYLYLTRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		5 LEU A 187
SER A 190
MET A 192
GLU A 257
PHE A 256
 None
 1.33A 1s2aA-2x60A:
undetectable		 1s2aA-2x60A:
20.70
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 LEU A 518
HIS A 386
SER A 387
MET A 388
GLN A 111
 None
None
ZN  A 565 (-3.5A)
None
None
 1.34A 1s2aA-3ahmA:
undetectable		 1s2aA-3ahmA:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  26
TRP A  89
GLU A 195
TYR A 219
SER A 220
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
 0.41A 1s2aA-3cavA:
47.4		 1s2aA-3cavA:
55.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  26
TRP A  89
MET A 123
TYR A 219
SER A 220
 CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.4A)
NAP  A 327 (-2.9A)
 0.66A 1s2aA-3cavA:
47.4		 1s2aA-3cavA:
55.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		5 LEU A   5
SER A  69
TYR A  13
GLN A  12
PHE A  20
 None
 1.36A 1s2aA-3ddlA:
undetectable		 1s2aA-3ddlA:
22.87
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  24
TRP A  79
HIS A 110
GLU A 178
TYR A 202
SER A 203
GLN A 208
 ACT  A 501 ( 4.0A)
None
ACT  A 501 ( 4.0A)
None
NAP  A 401 (-3.1A)
NAP  A 401 (-2.8A)
NAP  A 401 (-3.6A)
 0.44A 1s2aA-3h7rA:
41.2		 1s2aA-3h7rA:
38.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TRP A  83
HIS A 114
GLU A 182
TYR A 206
SER A 207
 None
ACT  A 501 ( 3.8A)
None
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
 0.43A 1s2aA-3h7uA:
41.4		 1s2aA-3h7uA:
40.00
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) 		5 TRP A  73
HIS A 104
GLU A 179
TYR A 203
SER A 204
 None
UNX  A 402 (-4.1A)
None
NAP  A 400 (-3.2A)
NAP  A 400 (-2.6A)
 0.27A 1s2aA-3krbA:
39.8		 1s2aA-3krbA:
35.86
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  24
TRP A  86
HIS A 117
GLU A 192
TYR A 216
GLN A 222
 MLY  A  25 (-3.6A)
None
MRD  A 328 ( 3.9A)
None
NAD  A 327 (-3.4A)
NAD  A 327 (-3.7A)
 0.72A 1s2aA-3ln3A:
49.1		 1s2aA-3ln3A:
65.02
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.
3nib TEG14

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 TYR A 254
LEU A  96
SER A 113
GLN A 255
PHE A 245
 None
 1.31A 1s2aA-3nibA:
undetectable		 1s2aA-3nibA:
22.19
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 TRP A  80
HIS A 111
GLU A 186
TYR A 210
SER A 211
 None
NAP  A 317 (-4.3A)
None
NAP  A 317 (-3.3A)
NAP  A 317 (-3.4A)
 0.29A 1s2aA-3o3rA:
44.5		 1s2aA-3o3rA:
45.32
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 5 LEU A 518
HIS A 386
SER A 387
MET A 388
GLN A 111
 None
None
ZN  A 568 ( 3.7A)
None
None
 1.33A 1s2aA-3sksA:
undetectable		 1s2aA-3sksA:
20.28
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 TRP A  89
HIS A 120
GLU A 182
TYR A 206
SER A 207
 None
NAP  A 401 (-4.0A)
None
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
 0.35A 1s2aA-3wczA:
42.3		 1s2aA-3wczA:
40.56
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 TRP A 102
HIS A 131
GLU A 216
TYR A 240
SER A 241
 None
NDP  A 401 (-3.9A)
None
NDP  A 401 (-3.3A)
NDP  A 401 (-2.8A)
 0.50A 1s2aA-4ijrA:
39.7		 1s2aA-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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 LEU B  90
SER B  85
GLU B  77
SER B  74
GLN B  72
 None
 1.48A 1s2aA-4ol0B:
undetectable		 1s2aA-4ol0B:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 TYR A1863
LEU A1636
GLU A1869
SER A1867
GLN A1866
 None
 1.45A 1s2aA-5a22A:
undetectable		 1s2aA-5a22A:
9.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		5 TRP A 106
HIS A 137
GLU A 199
TYR A 223
SER A 224
 None
 0.57A 1s2aA-5az0A:
40.4		 1s2aA-5az0A:
32.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		5 TRP A 106
HIS A 137
MET A 140
TYR A 223
SER A 224
 None
 0.85A 1s2aA-5az0A:
40.4		 1s2aA-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.
5c7m E3 UBIQUITIN-PROTEIN
LIGASE ITCHY HOMOLOG

(Homo sapiens) 		PF00632
(HECT) 		5 TYR A 880
LEU A 877
TYR A 883
GLN A 885
PHE A 815
 None
 1.50A 1s2aA-5c7mA:
undetectable		 1s2aA-5c7mA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 TRP A  89
HIS A 120
GLU A 189
TYR A 213
SER A 214
 None
6KB  A 401 ( 4.0A)
None
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
 0.27A 1s2aA-5jgyA:
39.9		 1s2aA-5jgyA:
39.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TRP X  80
HIS X 111
GLU X 186
TYR X 210
SER X 211
 None
DQP  X 402 ( 4.1A)
None
NAP  X 401 ( 3.1A)
NAP  X 401 (-2.8A)
 0.26A 1s2aA-5liyX:
45.5		 1s2aA-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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT

(Homo sapiens) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 LEU B 693
SER B 458
GLU B  27
TYR B  24
SER B  23
 None
 1.46A 1s2aA-5of4B:
undetectable		 1s2aA-5of4B:
18.13
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 TYR A 218
LEU A 234
HIS A 460
SER A 456
SER A 336
 None
 1.19A 1s2aA-5ttkA:
undetectable		 1s2aA-5ttkA:
22.87
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 SER A 206
MET A 198
GLU A  54
SER A  52
PHE A  57
 None
 1.47A 1s2aA-5w70A:
undetectable		 1s2aA-5w70A:
22.01
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		5 TYR A 841
LEU A 838
TYR A 844
GLN A 846
PHE A 776
 None
 1.45A 1s2aA-5xmcA:
undetectable		 1s2aA-5xmcA:
19.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 8 TYR A  24
LEU A  54
HIS A 117
GLU A 192
TYR A 216
SER A 217
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 0.71A 1s2aA-6f2uA:
52.3		 1s2aA-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 10 TYR A  24
LEU A  54
TRP A  86
HIS A 117
SER A 118
GLU A 192
TYR A 216
SER A 217
GLN A 222
PHE A 306
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
NAP  A 401 (-3.8A)
CJ2  A 402 (-3.8A)
 0.45A 1s2aA-6f2uA:
52.3		 1s2aA-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 10 TYR A  24
LEU A  54
TRP A  86
HIS A 117
SER A 118
MET A 120
GLU A 192
TYR A 216
SER A 217
GLN A 222
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
NAP  A 401 (-3.8A)
 0.36A 1s2aA-6f2uA:
52.3		 1s2aA-6f2uA:
100.00