SIMILAR PATTERNS OF AMINO ACIDS FOR 5JDC_C_6JPC302

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
 1.50A 5jdcB-1iwpA:
2.2
5jdcC-1iwpA:
0.7		 5jdcB-1iwpA:
20.91
5jdcC-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) 		7 ARG A  22
SER A 103
ASP A 169
MET A 171
TYR A 182
LEU A 217
PRO A 218
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
None
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
 0.49A 5jdcB-1mxfA:
42.6
5jdcC-1mxfA:
40.7		 5jdcB-1mxfA:
56.85
5jdcC-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
ASP A 181
MET A 183
TYR A 194
LEU A 229
PRO A 230
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
None
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
MTX  A 351 (-3.3A)
 0.37A 5jdcB-1p33A:
41.3
5jdcC-1p33A:
39.4		 5jdcB-1p33A:
48.53
5jdcC-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) 		7 ARG A  17
SER A 111
PHE A 113
ASP A 181
MET A 183
TYR A 194
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
None
FE1  A1301 ( 4.5A)
None
 0.57A 5jdcB-2qhxA:
41.0
5jdcC-2qhxA:
39.6		 5jdcB-2qhxA:
49.09
5jdcC-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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 HIS A 493
SER A 522
MET A 492
TYR A 519
PRO A 468
 None
 1.23A 5jdcB-3k1dA:
1.8
5jdcC-3k1dA:
1.7		 5jdcB-3k1dA:
17.24
5jdcC-3k1dA:
17.24
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
MET A 163
TYR A 174
LEU A 209
PRO A 210
TRP A 221
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
None
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
3KH  A 302 (-3.8A)
 0.26A 5jdcB-4wcdA:
45.1
5jdcC-4wcdA:
43.2		 5jdcB-4wcdA:
93.06
5jdcC-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
 1.40A 5jdcB-5ku7A:
4.3
5jdcC-5ku7A:
6.0		 5jdcB-5ku7A:
20.79
5jdcC-5ku7A:
20.79
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
ASP A 155
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
 0.54A 5jdcB-5tgdA:
32.0
5jdcC-5tgdA:
30.9		 5jdcB-5tgdA:
31.65
5jdcC-5tgdA:
31.65