SIMILAR PATTERNS OF AMINO ACIDS FOR 2X9G_C_LYAC1270_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
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 SER A 261
PRO A 111
PHE A 286
LEU A 322
MET A 118
 None
 1.49A 2x9gC-1iwpA:
0.7		 2x9gC-1iwpA:
20.91
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 SER A 378
PHE A 362
ASP A 384
TYR A 365
LEU A 351
 None
 1.44A 2x9gC-1iwpA:
0.7		 2x9gC-1iwpA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		9 ARG A  22
SER A 103
PRO A 107
ASP A 169
PHE A 179
TYR A 182
LEU A 217
PRO A 218
MET A 221
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
 0.60A 2x9gC-1mxfA:
42.3		 2x9gC-1mxfA:
56.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		9 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
PRO A 230
MET A 233
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
 0.50A 2x9gC-1p33A:
42.0		 2x9gC-1p33A:
48.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		5 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
 MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
MTX  A 351 (-4.2A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
 1.05A 2x9gC-1p33A:
42.0		 2x9gC-1p33A:
48.53
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 SER A1058
PHE A1059
PHE A1175
LEU A 978
PRO A1062
 None
 1.47A 2x9gC-2c3oA:
2.1		 2x9gC-2c3oA:
15.05
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.
2igi OLIGORIBONUCLEASE

(Escherichia
coli) 		PF00929
(RNase_T) 		5 ASP A  81
PHE A 114
TYR A 118
LEU A  54
MET A  57
 None
 1.20A 2x9gC-2igiA:
undetectable		 2x9gC-2igiA:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		7 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
TYR A 194
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
None
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
None
 0.43A 2x9gC-2qhxA:
41.2		 2x9gC-2qhxA:
49.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 226
 FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
None
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
 0.99A 2x9gC-2qhxA:
41.2		 2x9gC-2qhxA:
49.09
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.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		5 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.36A 2x9gC-3ll9A:
2.4		 2x9gC-3ll9A:
24.76
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.
4i5j SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT ALPHA

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 SER A 252
PHE A 254
PHE A 274
TYR A 273
LEU A 184
 None
 1.40A 2x9gC-4i5jA:
undetectable		 2x9gC-4i5jA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcd PTERIDINE REDUCTASE

(Trypanosoma
brucei) 		PF13561
(adh_short_C2) 		12 ARG A  14
SER A  95
PHE A  97
PRO A  99
ASP A 161
CYH A 168
PHE A 171
TYR A 174
LEU A 209
PRO A 210
MET A 213
TRP A 221
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
None
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.1A)
None
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
None
3KH  A 302 (-3.8A)
 0.26A 2x9gC-4wcdA:
45.6		 2x9gC-4wcdA:
93.06
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.
5ku7 TIR-NB-LRR TYPE
RESISTANCE PROTEIN
RPV1

(Vitis
rotundifolia) 		PF01582
(TIR) 		5 SER A  29
PHE A  84
TYR A  88
LEU A 159
PRO A 114
 None
 1.49A 2x9gC-5ku7A:
6.0		 2x9gC-5ku7A:
20.79
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 PHE A 240
PRO A  94
ASP A 163
PHE A 159
PRO A 238
 None
 1.37A 2x9gC-5nn8A:
undetectable		 2x9gC-5nn8A:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		6 ARG A  31
SER A 105
PHE A 107
ASP A 155
PHE A 165
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
None
 0.65A 2x9gC-5tgdA:
32.4		 2x9gC-5tgdA:
31.65