SIMILAR PATTERNS OF AMINO ACIDS FOR 2X9V_C_TMQC1270_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 378
PHE A 362
ASP A 384
TYR A 365
LEU A 351
 None
 1.49A 2x9vC-1iwpA:
1.1		 2x9vC-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
ASP A 169
PHE A 179
TYR A 182
LEU A 217
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
 0.39A 2x9vC-1mxfA:
42.5		 2x9vC-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) 		5 SER A 103
ASP A 169
TYR A 182
LEU A 217
PRO A 218
 MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
 0.87A 2x9vC-1mxfA:
42.5		 2x9vC-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) 		7 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 229
PRO A 230
MET A 233
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
MTX  A 351 ( 4.8A)
 1.06A 2x9vC-1p33A:
41.6		 2x9vC-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) 		7 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
MET A 233
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 ( 4.8A)
 0.67A 2x9vC-1p33A:
41.6		 2x9vC-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.
2igi OLIGORIBONUCLEASE

(Escherichia
coli) 		PF00929
(RNase_T) 		5 ASP A  81
PHE A 114
TYR A 118
LEU A  54
MET A  57
 None
 1.33A 2x9vC-2igiA:
0.1		 2x9vC-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) 		6 ARG A  17
SER A 111
PHE A 113
ASP A 181
TYR A 194
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
None
 0.29A 2x9vC-2qhxA:
41.4		 2x9vC-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.
3jr7 UNCHARACTERIZED EGV
FAMILY PROTEIN
COG1307

([Ruminococcus]
gnavus) 		PF02645
(DegV) 		5 ARG A  87
ASP A  60
PHE A  32
LEU A  47
PRO A  83
 NA  A 303 (-4.2A)
None
None
None
None
 1.34A 2x9vC-3jr7A:
2.1		 2x9vC-3jr7A:
22.80
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		5 SER A 299
PHE A 300
TYR A 290
LEU A 271
PRO A 272
 None
 1.46A 2x9vC-4bucA:
4.3		 2x9vC-4bucA:
24.78
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) 		5 ARG A  14
ASP A 161
LEU A 209
PRO A 210
MET A 213
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.8A)
None
3KH  A 302 ( 4.0A)
None
 1.20A 2x9vC-4wcdA:
45.4		 2x9vC-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) 		9 ARG A  14
SER A  95
PHE A  97
ASP A 161
CYH A 168
PHE A 171
TYR A 174
LEU A 209
MET A 213
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.1A)
None
3KH  A 302 ( 4.7A)
None
None
 0.48A 2x9vC-4wcdA:
45.4		 2x9vC-4wcdA:
93.06
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
 0.61A 2x9vC-5tgdA:
32.4		 2x9vC-5tgdA:
31.65