SIMILAR PATTERNS OF AMINO ACIDS FOR 3R7M_A_SUZA332_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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.4A)
 0.41A 3r7mA-1q5mA:
49.7		 3r7mA-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) 		5 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TRP A 227
 NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.4A)
None
 1.19A 3r7mA-1q5mA:
49.7		 3r7mA-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
TRP A  83
HIS A 114
ASN A 154
PHE A 299
 None
 0.80A 3r7mA-1qwkA:
40.3		 3r7mA-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
TRP A  86
HIS A 117
ASN A 167
 None
 0.59A 3r7mA-1ralA:
39.5		 3r7mA-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 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
NAP  A1001 (-3.1A)
 0.24A 3r7mA-2fvlA:
49.7		 3r7mA-2fvlA:
84.21
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) 		5 TYR A  24
LEU A  54
TYR A  55
TRP A  86
PHE A 310
 None
None
NAP  A1001 (-4.7A)
None
None
 1.03A 3r7mA-2fvlA:
49.7		 3r7mA-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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 LEU A  93
TYR A  89
SER A  70
PHE A 322
PHE A 326
 None
None
None
FAD  A 500 ( 4.8A)
None
 1.45A 3r7mA-3d1cA:
undetectable		 3r7mA-3d1cA:
21.32
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) 		5 TYR A  24
TYR A  48
TRP A  79
HIS A 110
ASN A 155
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.4A)
 0.36A 3r7mA-3h7rA:
40.5		 3r7mA-3h7rA:
39.03
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
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
 0.33A 3r7mA-3ln3A:
47.6		 3r7mA-3ln3A:
64.71
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
TRP A  81
HIS A 112
ASN A 144
 None
 0.51A 3r7mA-3wbxA:
36.0		 3r7mA-3wbxA:
35.58
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) 		5 TYR A  53
TRP A  80
HIS A 111
ASN A 141
PHE A 276
 GLU  A 301 (-4.4A)
None
GLU  A 301 (-3.8A)
GLU  A 301 (-3.7A)
None
 0.64A 3r7mA-4fziA:
37.0		 3r7mA-4fziA:
35.99
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)
 0.39A 3r7mA-4h8nA:
31.1		 3r7mA-4h8nA:
32.76
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
TRP A  75
HIS A 106
ASN A 137
PHE A 266
 None
 0.56A 3r7mA-4q3mA:
38.9		 3r7mA-4q3mA:
38.82
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) 		6 LEU A  53
TYR A  21
HIS A  56
TRP A 110
PHE A 117
PHE A 112
 7BC  A 202 (-4.9A)
None
NI  A 201 ( 3.8A)
7BC  A 202 ( 4.3A)
7BC  A 202 ( 4.9A)
None
 1.39A 3r7mA-5tfzA:
undetectable		 3r7mA-5tfzA:
19.29
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.
6bdt CALPAIN-3

(Homo sapiens) 		no annotation 5 LEU A 219
TRP A 130
HIS A 213
PHE A 167
PHE A 231
 None
 1.50A 3r7mA-6bdtA:
undetectable		 3r7mA-6bdtA:
14.91
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
TYR A  55
HIS A 117
SER A 118
ASN A 167
TRP A 227
PHE A 306
 CJ2  A 402 (-4.2A)
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)
 1.03A 3r7mA-6f2uA:
50.3		 3r7mA-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 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
SER A 118
ASN A 167
TRP A 227
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
CJ2  A 402 ( 3.7A)
NAP  A 401 ( 3.3A)
CJ2  A 402 ( 4.8A)
 0.48A 3r7mA-6f2uA:
50.3		 3r7mA-6f2uA:
100.00