SIMILAR PATTERNS OF AMINO ACIDS FOR 3S3G_A_TLTA317_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) 		4 TRP A  20
TYR A  48
HIS A 110
PHE A 122
 NAP  A 350 (-4.4A)
NAP  A 350 (-4.8A)
NAP  A 350 (-4.0A)
None
 0.54A 3s3gA-1c9wA:
50.3		 3s3gA-1c9wA:
69.23
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) 		4 TYR A  48
HIS A 110
PHE A 122
CYH A 298
 NAP  A 350 (-4.8A)
NAP  A 350 (-4.0A)
None
NAP  A 350 ( 4.1A)
 0.73A 3s3gA-1c9wA:
50.3		 3s3gA-1c9wA:
69.23
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		4 TRP A 297
HIS A  81
TRP A  49
TRP A 301
 None
 1.04A 3s3gA-1fobA:
11.9		 3s3gA-1fobA:
21.93
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.
1hjq BETA-1,4-GALACTANASE

(Humicola
insolens) 		PF07745
(Glyco_hydro_53) 		4 TRP A 296
HIS A  81
TRP A  49
TRP A 300
 None
 1.04A 3s3gA-1hjqA:
3.3		 3s3gA-1hjqA:
21.65
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.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila) 		PF07745
(Glyco_hydro_53) 		4 TRP A 296
HIS A  81
TRP A  49
TRP A 300
 TRS  A 704 (-3.8A)
None
None
None
 1.01A 3s3gA-1hjuA:
2.3		 3s3gA-1hjuA:
23.12
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.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		4 TRP A  21
TYR A  57
HIS A 125
TRP A 126
 None
None
NAP  A 500 ( 4.8A)
None
 0.69A 3s3gA-1pz1A:
25.0		 3s3gA-1pz1A:
25.88
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 TRP A 320
HIS A 110
TRP A  70
TRP A 324
 None
 1.14A 3s3gA-1ur4A:
2.2		 3s3gA-1ur4A:
19.27
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) 		4 TRP A  23
TYR A  52
HIS A 110
PHE A 272
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 ( 4.9A)
 1.46A 3s3gA-1vbjA:
39.0		 3s3gA-1vbjA:
38.99
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) 		4 TRP A  23
TYR A  52
HIS A 110
TRP A 111
 CIT  A4001 ( 3.8A)
CIT  A4001 ( 4.2A)
CIT  A4001 ( 3.7A)
CIT  A4001 (-4.4A)
 0.27A 3s3gA-1vbjA:
39.0		 3s3gA-1vbjA:
38.99
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) 		4 TRP A  24
TYR A  52
HIS A 114
PHE A 132
 NAD  A1350 (-4.7A)
None
NAD  A1350 (-4.4A)
None
 0.60A 3s3gA-1z9aA:
43.4		 3s3gA-1z9aA:
40.22
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) 		4 TRP A  32
TYR A  60
HIS A 121
TRP A 122
 BCT  A1322 ( 3.3A)
BCT  A1322 ( 4.4A)
BCT  A1322 ( 3.9A)
BCT  A1322 (-4.3A)
 0.29A 3s3gA-2bgsA:
42.4		 3s3gA-2bgsA:
39.34
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 TRP A  20
TYR A  48
HIS A 110
TRP A 111
PHE A 122
TRP A 219
CYH A 298
 2CL  A 317 ( 3.4A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 ( 4.0A)
2CL  A 317 ( 4.9A)
None
2CL  A 317 (-3.5A)
 0.34A 3s3gA-2is7A:
54.1		 3s3gA-2is7A:
99.05
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) 		4 TYR A  48
HIS A 110
TRP A 111
CYH A 287
 ACT  A 501 ( 4.3A)
ACT  A 501 ( 4.0A)
NAP  A 401 ( 4.4A)
NAP  A 401 ( 4.6A)
 0.69A 3s3gA-3h7rA:
41.9		 3s3gA-3h7rA:
45.61
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) 		4 TRP A  24
TYR A  52
HIS A 114
PHE A 295
 ACT  A 501 ( 3.2A)
ACT  A 501 ( 4.4A)
ACT  A 501 ( 3.8A)
None
 0.98A 3s3gA-3h7uA:
44.5		 3s3gA-3h7uA:
47.70
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  24
TYR A  52
HIS A 114
TRP A 115
TRP A 216
 ACT  A 501 ( 3.2A)
ACT  A 501 ( 4.4A)
ACT  A 501 ( 3.8A)
NAP  A 401 ( 3.9A)
None
 1.06A 3s3gA-3h7uA:
44.5		 3s3gA-3h7uA:
47.70
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  12
TYR A  40
HIS A 104
PHE A 118
CYH A 301
 UNX  A 402 (-4.3A)
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
None
NAP  A 400 ( 4.0A)
 1.19A 3s3gA-3krbA:
41.3		 3s3gA-3krbA:
40.92
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  12
TYR A  40
HIS A 104
TRP A 105
CYH A 301
 UNX  A 402 (-4.3A)
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
NAP  A 400 ( 4.0A)
 0.52A 3s3gA-3krbA:
41.3		 3s3gA-3krbA:
40.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		4 TRP A  41
TYR A  69
HIS A 127
TRP A 128
 GOL  A 300 (-4.5A)
GOL  A 300 (-4.7A)
GOL  A 300 (-4.1A)
GOL  A 300 ( 4.8A)
 0.90A 3s3gA-3o0kA:
35.3		 3s3gA-3o0kA:
36.80
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		4 TYR A 276
HIS A 149
PHE A  73
CYH A 418
 None
 1.32A 3s3gA-3wrfA:
undetectable		 3s3gA-3wrfA:
17.80
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		4 TRP A 296
HIS A  81
TRP A  49
TRP A 300
 GOL  A1343 ( 3.5A)
GOL  A1343 ( 4.6A)
None
None
 1.11A 3s3gA-4bf7A:
2.3		 3s3gA-4bf7A:
21.75
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) 		4 TRP A  25
TYR A  54
HIS A 112
PHE A 284
 EDO  A 308 (-4.0A)
EDO  A 308 (-4.4A)
EDO  A 308 (-4.1A)
None
 0.92A 3s3gA-4f40A:
38.3		 3s3gA-4f40A:
40.82
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) 		4 TRP A  25
TYR A  54
HIS A 112
TRP A 113
 EDO  A 308 (-4.0A)
EDO  A 308 (-4.4A)
EDO  A 308 (-4.1A)
EDO  A 308 ( 4.3A)
 0.68A 3s3gA-4f40A:
38.3		 3s3gA-4f40A:
40.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		4 TRP A  24
TYR A  53
HIS A 111
PHE A 276
 GLU  A 301 (-3.5A)
GLU  A 301 (-4.4A)
GLU  A 301 (-3.8A)
None
 1.22A 3s3gA-4fziA:
37.3		 3s3gA-4fziA:
39.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		4 TRP A  24
TYR A  53
HIS A 111
TRP A 112
 GLU  A 301 (-3.5A)
GLU  A 301 (-4.4A)
GLU  A 301 (-3.8A)
GLU  A 301 (-4.1A)
 0.40A 3s3gA-4fziA:
37.3		 3s3gA-4fziA:
39.53
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) 		4 TYR A  48
HIS A 110
TRP A 111
PHE A 122
 None
 0.78A 3s3gA-4hbkA:
45.8		 3s3gA-4hbkA:
51.86
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.
4xrw BEXL

(Amycolatopsis
orientalis) 		PF10604
(Polyketide_cyc2) 		4 TRP A 244
TYR A 228
HIS A 240
PHE A 155
 None
 1.37A 3s3gA-4xrwA:
undetectable		 3s3gA-4xrwA:
26.88
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) 		4 TRP A  31
TYR A  59
HIS A 120
TRP A 121
 EDO  A 402 ( 3.2A)
6KB  A 401 ( 4.6A)
6KB  A 401 ( 4.0A)
6KB  A 401 ( 4.4A)
 0.43A 3s3gA-5jgyA:
41.8		 3s3gA-5jgyA:
39.33
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) 		4 TRP X  21
TYR X  49
HIS X 111
PHE X 123
 DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
DQP  X 402 (-3.7A)
 1.08A 3s3gA-5liyX:
50.4		 3s3gA-5liyX:
66.67
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  21
TYR X  49
HIS X 111
TRP X 220
CYH X 299
 DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
None
DQP  X 402 (-4.0A)
 0.79A 3s3gA-5liyX:
50.4		 3s3gA-5liyX:
66.67