SIMILAR PATTERNS OF AMINO ACIDS FOR 3BMC_C_FOLC270_0

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
 1.48A 3bmcC-1iwpA:
2.3		 3bmcC-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) 		6 ARG A  22
SER A 103
PHE A 179
LEU A 217
PRO A 218
MET A 221
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
 0.80A 3bmcC-1mxfA:
42.4		 3bmcC-1mxfA:
56.85
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) 		7 ARG A  22
SER A 103
PRO A 107
PHE A 179
TYR A 182
LEU A 217
PRO A 218
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
 0.70A 3bmcC-1mxfA:
42.4		 3bmcC-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) 		8 ARG A  17
SER A 111
PHE A 113
PRO A 115
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)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
 0.70A 3bmcC-1p33A:
41.5		 3bmcC-1p33A:
48.53
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) 		6 ARG A  17
SER A 111
PHE A 113
PRO A 115
TYR A 194
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
None
FE1  A1301 ( 4.5A)
None
 0.63A 3bmcC-2qhxA:
40.5		 3bmcC-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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ARG A 207
SER A 579
PRO A 597
LEU A 460
GLU A 552
 None
 1.25A 3bmcC-3ixwA:
undetectable		 3bmcC-3ixwA:
17.57
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
 1.38A 3bmcC-3ll9A:
2.4		 3bmcC-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.
3tze TRYPTOPHANYL-TRNA
SYNTHETASE

(Encephalitozoon
cuniculi) 		PF00579
(tRNA-synt_1b) 		5 SER A 252
PHE A  68
PHE A  37
LEU A  48
GLU A  46
 None
 1.24A 3bmcC-3tzeA:
3.6		 3bmcC-3tzeA:
23.11
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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 SER A 247
PRO A 211
LEU A 223
MET A 192
GLU A 135
 None
 1.21A 3bmcC-3uugA:
7.8		 3bmcC-3uugA:
22.51
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
 1.37A 3bmcC-4i5jA:
undetectable		 3bmcC-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) 		11 ARG A  14
SER A  95
PHE A  97
PRO A  99
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
3KH  A 302 ( 4.1A)
None
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
None
3KH  A 302 (-3.8A)
 0.35A 3bmcC-4wcdA:
45.5		 3bmcC-4wcdA:
93.06
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) 		7 PRO A  99
CYH A 168
PHE A 171
TYR A 174
LEU A 209
GLU A 217
TRP A 221
 None
3KH  A 302 ( 4.1A)
None
3KH  A 302 ( 4.7A)
None
None
3KH  A 302 (-3.8A)
 0.72A 3bmcC-4wcdA:
45.5		 3bmcC-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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 SER A 282
PRO A 246
LEU A 258
MET A 227
GLU A 170
 None
 1.20A 3bmcC-4wwhA:
6.2		 3bmcC-4wwhA:
25.96
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
 1.43A 3bmcC-5ku7A:
5.8		 3bmcC-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.
5mqc VP1
VP3

(Black queen
cell virus;
Black queen
cell virus) 		PF08762
(CRPV_capsid)
no annotation 		5 SER C 119
PRO A 230
TYR C 116
PRO A 103
GLU A  75
 None
 1.47A 3bmcC-5mqcC:
undetectable		 3bmcC-5mqcC:
20.92
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) 		5 ARG A  31
SER A 105
PHE A 107
PHE A 165
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
None
None
 0.53A 3bmcC-5tgdA:
32.3		 3bmcC-5tgdA:
31.65
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.
5tsc UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 SER A  78
PHE A 233
PHE A 304
LEU A 248
PRO A 250
 None
 1.50A 3bmcC-5tscA:
undetectable		 3bmcC-5tscA:
20.28
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.
5zmy -

(-) 		no annotation 5 ARG A  92
PRO A 179
LEU A 121
PRO A 129
GLU A 119
 None
 1.23A 3bmcC-5zmyA:
2.0		 3bmcC-5zmyA:
undetectable