SIMILAR PATTERNS OF AMINO ACIDS FOR 3UGR_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) 		5 TRP A  79
HIS A 110
TYR A 209
SER A 210
SER A 214
 None
NAP  A 350 (-4.0A)
NAP  A 350 (-3.5A)
NAP  A 350 (-2.4A)
NAP  A 350 (-2.9A)
 0.82A 3ugrA-1c9wA:
44.2		 3ugrA-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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 LEU A 103
HIS A  70
SER A 256
SER A 255
PHE A 307
 KCX  A 162 ( 4.2A)
ZN  A 601 ( 3.6A)
None
None
None
 1.27A 3ugrA-1pojA:
7.4		 3ugrA-1pojA:
21.98
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
TYR A 216
SER A 217
SER A 221
TRP A 227
 None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
None
 0.99A 3ugrA-1q5mA:
49.8		 3ugrA-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
HIS A 117
TYR A 216
SER A 217
SER A 221
PHE A 310
 None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
None
 1.07A 3ugrA-1q5mA:
49.8		 3ugrA-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
TYR A 216
SER A 217
SER A 221
 None
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
NDP  A1003 (-2.8A)
None
 0.48A 3ugrA-1q5mA:
49.8		 3ugrA-1q5mA:
77.02
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
TYR A 214
SER A 215
PHE A 301
 None
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
None
 1.07A 3ugrA-2bgsA:
39.6		 3ugrA-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) 		5 TRP A  90
HIS A 121
TYR A 214
SER A 215
SER A 219
 None
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-2.7A)
NDP  A1321 (-2.7A)
 0.75A 3ugrA-2bgsA:
39.6		 3ugrA-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) 		6 TYR A  24
LEU A  54
TRP A  86
HIS A 117
MET A 120
SER A 217
 None
None
None
NAP  A1001 (-4.4A)
None
NAP  A1001 (-4.0A)
 0.47A 3ugrA-2fvlA:
50.0		 3ugrA-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 TRP A  86
HIS A 117
MET A 120
TYR A 216
PHE A 311
 None
FFA  A   3 ( 4.1A)
None
NAP  A   1 (-3.5A)
None
 0.82A 3ugrA-2ipfA:
49.1		 3ugrA-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 HIS A 117
TYR A 216
SER A 217
SER A 221
PHE A 311
 FFA  A 325 ( 3.8A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
None
 0.82A 3ugrA-2ipjA:
49.9		 3ugrA-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
TYR A 216
SER A 217
SER A 221
 None
FFA  A 325 ( 3.8A)
NAP  A   1 (-3.2A)
NAP  A   1 (-2.8A)
None
 0.29A 3ugrA-2ipjA:
49.9		 3ugrA-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
TYR A 209
SER A 210
SER A 214
 None
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.2A)
NAP  A 316 (-2.7A)
NAP  A 316 (-2.7A)
 0.79A 3ugrA-2is7A:
44.9		 3ugrA-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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 LEU A 141
SER A 144
SER A  53
SER A  54
PHE A  62
 None
 1.32A 3ugrA-2qcvA:
undetectable		 3ugrA-2qcvA:
21.85
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		5 SER A 191
MET A 220
TYR A 127
SER A 124
PHE A 117
 GA4  A 345 (-3.1A)
None
GA4  A 345 (-4.7A)
None
None
 1.32A 3ugrA-2zsiA:
undetectable		 3ugrA-2zsiA:
22.33
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.
3bma D-ALANYL-LIPOTEICHOI
C ACID SYNTHETASE

(Streptococcus
pneumoniae) 		PF04914
(DltD) 		5 LEU A 310
SER A 111
TYR A 173
SER A 413
PHE A 139
 None
 1.24A 3ugrA-3bmaA:
2.5		 3ugrA-3bmaA:
23.56
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 3ugrA-3cavA:
45.9		 3ugrA-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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		5 SER A 198
MET A 227
TYR A 134
SER A 131
PHE A 124
 GA4  A 401 (-2.6A)
None
GA4  A 401 (-4.8A)
None
None
 1.40A 3ugrA-3eblA:
undetectable		 3ugrA-3eblA:
24.53
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.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 TYR A1922
HIS A1993
SER A1992
MET A1986
SER A1918
 None
 1.46A 3ugrA-3ff6A:
undetectable		 3ugrA-3ff6A:
16.97
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) 		6 TYR A  24
TRP A  79
HIS A 110
TYR A 202
SER A 203
SER A 207
 ACT  A 501 ( 4.0A)
None
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.1A)
NAP  A 401 (-2.8A)
NAP  A 401 (-4.8A)
 0.49A 3ugrA-3h7rA:
40.1		 3ugrA-3h7rA:
39.03
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) 		6 TYR A  24
TRP A  79
TYR A 202
SER A 203
SER A 207
PHE A 292
 ACT  A 501 ( 4.0A)
None
NAP  A 401 (-3.1A)
NAP  A 401 (-2.8A)
NAP  A 401 (-4.8A)
EDO  A 513 (-4.7A)
 0.98A 3ugrA-3h7rA:
40.1		 3ugrA-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) 		5 TRP A  83
HIS A 114
TYR A 206
SER A 207
SER A 211
 None
ACT  A 501 ( 3.8A)
NAP  A 401 (-3.2A)
NAP  A 401 (-2.8A)
NAP  A 401 (-2.6A)
 0.75A 3ugrA-3h7uA:
40.4		 3ugrA-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  24
TRP A  86
HIS A 117
TYR A 216
PHE A 310
 MLY  A  25 (-3.6A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.4A)
MRD  A 328 (-4.5A)
 0.99A 3ugrA-3ln3A:
47.5		 3ugrA-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.
3mwy CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF00385
(Chromo) 		5 SER W 392
TYR W 354
SER W 352
SER W 351
PHE W 414
 None
 1.47A 3ugrA-3mwyW:
undetectable		 3ugrA-3mwyW:
17.75
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.
4a5p PROTEIN MXIA

(Shigella
flexneri) 		PF00771
(FHIPEP) 		5 TYR A 483
LEU A 486
SER A 477
PHE A 428
PHE A 367
 None
None
MLY  A 476 ( 4.9A)
None
None
 1.49A 3ugrA-4a5pA:
undetectable		 3ugrA-4a5pA:
23.24
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.
4qh6 CRUZIPAIN

(Trypanosoma
cruzi) 		PF00112
(Peptidase_C1) 		5 SER A 183
TYR A  91
SER A  93
SER A  98
TRP A  26
 None
 1.43A 3ugrA-4qh6A:
undetectable		 3ugrA-4qh6A:
22.06
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 LEU A1042
SER A1045
SER A1030
PHE A 948
PHE A 946
 None
 1.26A 3ugrA-4wxxA:
undetectable		 3ugrA-4wxxA:
12.39
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
 0.88A 3ugrA-5az0A:
40.2		 3ugrA-5az0A:
32.16
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
TYR A 213
SER A 214
PHE A 300
 None
6KB  A 401 ( 4.0A)
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
None
 1.05A 3ugrA-5jgyA:
39.7		 3ugrA-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) 		5 TRP A  89
HIS A 120
TYR A 213
SER A 214
SER A 218
 None
6KB  A 401 ( 4.0A)
6KB  A 401 (-3.4A)
6KB  A 401 (-2.7A)
6KB  A 401 (-2.7A)
 0.75A 3ugrA-5jgyA:
39.7		 3ugrA-5jgyA:
38.81
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
TYR X 210
SER X 211
SER X 215
 None
DQP  X 402 ( 4.1A)
NAP  X 401 ( 3.1A)
NAP  X 401 (-2.8A)
NAP  X 401 (-2.7A)
 0.82A 3ugrA-5liyX:
44.2		 3ugrA-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.
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
 1.21A 3ugrA-5ttkA:
undetectable		 3ugrA-5ttkA:
22.87
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
TYR A 216
SER A 217
SER A 221
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 0.76A 3ugrA-6f2uA:
51.1		 3ugrA-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 5 TYR A  24
LEU A  54
SER A 217
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
None
NAP  A 401 ( 2.7A)
CJ2  A 402 ( 4.8A)
CJ2  A 402 (-3.8A)
 1.45A 3ugrA-6f2uA:
51.1		 3ugrA-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 TYR A  24
LEU A  54
TRP A  86
HIS A 117
SER A 118
MET A 120
TYR A 216
SER A 217
SER A 221
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
 0.40A 3ugrA-6f2uA:
51.1		 3ugrA-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 TYR A  24
LEU A  54
TRP A  86
HIS A 117
SER A 118
TYR A 216
SER A 217
SER A 221
PHE A 306
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.2A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-4.6A)
CJ2  A 402 (-3.8A)
 0.47A 3ugrA-6f2uA:
51.1		 3ugrA-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 TYR A  24
LEU A  54
TRP A  86
SER A 118
MET A 120
SER A 217
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
NAP  A 401 ( 2.7A)
 1.04A 3ugrA-6f2uA:
51.1		 3ugrA-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 TYR A  24
LEU A  54
TRP A  86
SER A 118
SER A 217
PHE A 306
 CJ2  A 402 (-4.2A)
None
None
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 2.7A)
CJ2  A 402 (-3.8A)
 1.31A 3ugrA-6f2uA:
51.1		 3ugrA-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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 5 TYR A 268
LEU A 261
SER A  64
PHE A 230
PHE A 387
 None
 1.21A 3ugrA-6f34A:
undetectable		 3ugrA-6f34A:
16.73