SIMILAR PATTERNS OF AMINO ACIDS FOR 1FMJ_A_RTLA401

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.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 TYR A  81
LEU A  89
LYS A 106
HIS A 108
PHE A 255
 VO4  A 302 ( 4.9A)
None
VO4  A 302 (-3.0A)
VO4  A 302 (-3.9A)
A3P  A 301 ( 4.6A)
 1.06A 1fmjA-1bo6A:
33.7		 1fmjA-1bo6A:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		6 LEU A 139
SER A 142
LYS A 162
MET A 295
ILE A 301
PHE A 310
 None
RTL  A 401 (-3.2A)
RTL  A 401 (-2.6A)
RTL  A 401 ( 4.0A)
None
RTL  A 401 (-4.3A)
 1.48A 1fmjA-1fmlA:
56.6		 1fmjA-1fmlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		11 TYR A 105
TYR A 112
TYR A 120
LEU A 139
SER A 142
LYS A 162
HIS A 164
HIS A 197
MET A 295
ILE A 303
PHE A 310
 RTL  A 401 (-4.6A)
RTL  A 401 ( 4.8A)
RTL  A 401 ( 4.5A)
None
RTL  A 401 (-3.2A)
RTL  A 401 (-2.6A)
RTL  A 401 (-4.4A)
RTL  A 401 (-4.2A)
RTL  A 401 ( 4.0A)
RTL  A 401 ( 4.0A)
RTL  A 401 (-4.3A)
 0.25A 1fmjA-1fmlA:
56.6		 1fmjA-1fmlA:
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.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		5 TYR A  48
TYR A  66
LEU A 205
HIS A  52
MET A  11
 None
 1.50A 1fmjA-1rkqA:
0.0		 1fmjA-1rkqA:
21.24
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		5 TYR 1 434
SER 1 460
HIS 1 244
HIS 1 352
ILE 1 424
 None
None
MN  1 602 (-3.3A)
MN  1 601 (-3.6A)
None
 1.15A 1fmjA-1wao1:
0.0		 1fmjA-1wao1:
23.08
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.
2dct HYPOTHETICAL PROTEIN
TTHA0104

(Thermus
thermophilus) 		PF07883
(Cupin_2) 		5 TYR A  53
LEU A   6
HIS A  85
MET A  17
ILE A  20
 None
 1.25A 1fmjA-2dctA:
0.0		 1fmjA-2dctA:
13.43
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.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Homo sapiens) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 TYR A 434
SER A 460
HIS A 244
HIS A 352
ILE A 424
 None
None
ZN  A 501 ( 3.3A)
ZN  A 500 ( 3.2A)
None
 1.16A 1fmjA-3h68A:
0.0		 1fmjA-3h68A:
23.45
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TYR A  62
LEU A  70
SER A  51
HIS A 288
ILE A 192
 TRS  A 505 (-4.0A)
None
None
TRS  A 505 (-4.2A)
None
 1.37A 1fmjA-3qgvA:
0.2		 1fmjA-3qgvA:
20.80
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 LEU A 201
HIS A 150
HIS A 212
ILE A 225
PHE A 248
 None
EDO  A 409 ( 3.7A)
ZN  A 403 ( 3.3A)
None
L3A  A 401 (-4.4A)
 1.50A 1fmjA-3s2jA:
0.0		 1fmjA-3s2jA:
23.38
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.
3umc HALOACID
DEHALOGENASE

(Pseudomonas
aeruginosa) 		PF13419
(HAD_2) 		5 LEU A  75
SER A  71
HIS A  63
HIS A  96
ILE A  91
 None
 1.42A 1fmjA-3umcA:
0.0		 1fmjA-3umcA:
22.04