SIMILAR PATTERNS OF AMINO ACIDS FOR 2C7V_C_MTXC1272

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 2c7vC-1iwpA:
undetectable		 2c7vC-1iwpA:
20.34
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
 1.47A 2c7vC-1iwpA:
undetectable		 2c7vC-1iwpA:
20.34
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)
 0.40A 2c7vC-1mxfA:
42.4		 2c7vC-1mxfA:
58.93
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)
 0.42A 2c7vC-1p33A:
42.1		 2c7vC-1p33A:
50.52
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)
 1.11A 2c7vC-1p33A:
42.1		 2c7vC-1p33A:
50.52
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.
2es4 LIPASE CHAPERONE

(Burkholderia
glumae) 		PF03280
(Lipase_chap) 		5 PRO D 179
ASP D  90
LEU D  71
PRO D  72
GLU D 124
 None
 1.36A 2c7vC-2es4D:
undetectable		 2c7vC-2es4D:
23.36
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
 1.25A 2c7vC-2igiA:
undetectable		 2c7vC-2igiA:
23.62
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
 0.46A 2c7vC-2qhxA:
41.3		 2c7vC-2qhxA:
42.99
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)
 1.05A 2c7vC-2qhxA:
41.3		 2c7vC-2qhxA:
42.99
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.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 PHE A 171
TYR A 176
LEU A 105
PRO A 108
GLU A 103
 None
None
None
None
NI  A 231 (-3.1A)
 1.12A 2c7vC-3cc8A:
5.4		 2c7vC-3cc8A:
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.
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
 1.47A 2c7vC-3ixwA:
undetectable		 2c7vC-3ixwA:
16.85
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
 1.34A 2c7vC-3ll9A:
2.4		 2c7vC-3ll9A:
21.89
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
 1.37A 2c7vC-3uugA:
7.6		 2c7vC-3uugA:
22.90
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
 1.38A 2c7vC-4i5jA:
undetectable		 2c7vC-4i5jA:
19.02
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.
4ofl EXTRACYTOPLASMIC
NICKEL-BINDING
PROTEIN YPYNTA

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 SER A  33
PRO A 170
ASP A 492
TYR A 172
LEU A 182
 None
 1.47A 2c7vC-4oflA:
undetectable		 2c7vC-4oflA:
18.99
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
ASP A 161
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)
None
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
None
3KH  A 302 (-3.8A)
 0.37A 2c7vC-4wcdA:
44.7		 2c7vC-4wcdA:
100.00
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) 		6 ASP A 161
PHE A 171
LEU A 209
MET A 213
GLU A 217
TRP A 221
 NAP  A 301 ( 3.8A)
None
None
None
None
3KH  A 302 (-3.8A)
 1.00A 2c7vC-4wcdA:
44.7		 2c7vC-4wcdA:
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.
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
 1.36A 2c7vC-4wwhA:
4.2		 2c7vC-4wwhA:
23.18
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
 1.43A 2c7vC-5nn8A:
undetectable		 2c7vC-5nn8A:
15.38
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 2c7vC-5tgdA:
31.9		 2c7vC-5tgdA:
30.03
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.
5tub SHARK TBC1D15
GTPASE-ACTIVATING
PROTEIN

(Squalimorphii) 		PF00566
(RabGAP-TBC) 		5 PHE A 383
PRO A 384
ASP A 492
TYR A 382
GLU A 390
 None
 1.47A 2c7vC-5tubA:
undetectable		 2c7vC-5tubA:
22.03
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.
6dbr -

(-) 		no annotation 5 PHE B  19
PRO B  17
PHE B 318
LEU B  55
GLU B 341
 None
 1.10A 2c7vC-6dbrB:
undetectable		 2c7vC-6dbrB:
undetectable