SIMILAR PATTERNS OF AMINO ACIDS FOR 5JDC_D_6JPD302_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
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)
 0.41A 5jdcA-1mxfA:
42.6
5jdcD-1mxfA:
42.6		 5jdcA-1mxfA:
56.85
5jdcD-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)
 0.32A 5jdcA-1p33A:
41.5
5jdcD-1p33A:
41.5		 5jdcA-1p33A:
48.53
5jdcD-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.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		5 SER A  95
PHE A  94
ASP A  91
VAL A 146
LEU A 117
 None
 1.46A 5jdcA-1wzzA:
undetectable
5jdcD-1wzzA:
undetectable		 5jdcA-1wzzA:
23.60
5jdcD-1wzzA:
23.60
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.
1zrm L-2-HALOACID
DEHALOGENASE

(Pseudomonas sp.
YL) 		PF13419
(HAD_2) 		5 ASP A 180
TYR A 157
VAL A 174
LEU A 172
PRO A 190
 None
 1.45A 5jdcA-1zrmA:
6.1
5jdcD-1zrmA:
5.7		 5jdcA-1zrmA:
22.00
5jdcD-1zrmA:
22.00
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.
2jpe NUCLEAR INHIBITOR OF
PROTEIN PHOSPHATASE
1

(Mus musculus) 		PF00498
(FHA) 		5 SER A 120
PHE A 117
TYR A 124
VAL A  70
LEU A  88
 None
 1.46A 5jdcA-2jpeA:
undetectable
5jdcD-2jpeA:
undetectable		 5jdcA-2jpeA:
20.28
5jdcD-2jpeA:
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.
2ls0 ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF16775
(ZoocinA_TRD) 		5 SER 1  98
PHE 1  48
ASP 1  52
VAL 1 106
LEU 1 124
 None
 1.49A 5jdcA-2ls01:
undetectable
5jdcD-2ls01:
undetectable		 5jdcA-2ls01:
21.43
5jdcD-2ls01:
21.43
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 5jdcA-2qhxA:
40.8
5jdcD-2qhxA:
40.9		 5jdcA-2qhxA:
49.09
5jdcD-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.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 HIS A  69
ARG A 184
ASP A  65
TYR A 192
VAL A 176
 ZN  A 309 ( 3.1A)
None
None
None
None
 1.44A 5jdcA-3d4uA:
undetectable
5jdcD-3d4uA:
undetectable		 5jdcA-3d4uA:
20.96
5jdcD-3d4uA:
20.96
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.
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
 1.22A 5jdcA-3k1dA:
1.1
5jdcD-3k1dA:
undetectable		 5jdcA-3k1dA:
17.24
5jdcD-3k1dA:
17.24
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 HIS A 181
ARG A 297
ASP A 177
TYR A 306
VAL A 289
 ZN  A 999 (-3.1A)
None
None
None
None
 1.44A 5jdcA-3oslA:
undetectable
5jdcD-3oslA:
undetectable		 5jdcA-3oslA:
19.80
5jdcD-3oslA:
19.80
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.
3pmq DECAHEME CYTOCHROME
C MTRF

(Shewanella
oneidensis) 		no annotation 5 SER A 100
VAL A 215
LEU A  89
PRO A  91
TRP A 175
 HEC  A 672 ( 4.3A)
None
None
None
None
 1.46A 5jdcA-3pmqA:
undetectable
5jdcD-3pmqA:
undetectable		 5jdcA-3pmqA:
17.41
5jdcD-3pmqA:
17.41
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.
3um9 HALOACID
DEHALOGENASE, TYPE
II

(Polaromonas sp.
JS666) 		PF13419
(HAD_2) 		5 ASP A 180
TYR A 157
VAL A 174
LEU A 172
PRO A 190
 SO4  A 231 ( 4.8A)
None
None
None
None
 1.47A 5jdcA-3um9A:
5.9
5jdcD-3um9A:
5.5		 5jdcA-3um9A:
19.73
5jdcD-3um9A:
19.73
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 SER A 120
PHE A 121
TYR A 134
VAL A 212
PRO A 244
 None
 1.46A 5jdcA-4om9A:
undetectable
5jdcD-4om9A:
undetectable		 5jdcA-4om9A:
14.77
5jdcD-4om9A:
14.77
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 SER A 180
MET A 351
VAL A  59
LEU A  96
PRO A  98
 None
 1.40A 5jdcA-4q6tA:
4.1
5jdcD-4q6tA:
2.6		 5jdcA-4q6tA:
20.28
5jdcD-4q6tA:
20.28
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) 		10 ARG A  14
SER A  95
PHE A  97
ASP A 161
MET A 163
TYR A 174
VAL A 206
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)
NAP  A 301 (-4.6A)
None
3KH  A 302 ( 4.0A)
3KH  A 302 (-3.8A)
 0.22A 5jdcA-4wcdA:
46.0
5jdcD-4wcdA:
45.9		 5jdcA-4wcdA:
93.06
5jdcD-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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 HIS A 170
SER A  91
ASP A  68
VAL A 249
LEU A 240
 None
 1.37A 5jdcA-4wn9A:
2.8
5jdcD-4wn9A:
1.9		 5jdcA-4wn9A:
18.41
5jdcD-4wn9A:
18.41
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 HIS A 159
ARG A 275
ASP A 155
TYR A 284
VAL A 267
 ZN  A 508 ( 3.2A)
None
None
None
None
 1.46A 5jdcA-5hvfA:
undetectable
5jdcD-5hvfA:
undetectable		 5jdcA-5hvfA:
20.96
5jdcD-5hvfA:
20.96
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
 1.42A 5jdcA-5ku7A:
5.8
5jdcD-5ku7A:
6.2		 5jdcA-5ku7A:
20.79
5jdcD-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
 0.52A 5jdcA-5tgdA:
32.3
5jdcD-5tgdA:
32.5		 5jdcA-5tgdA:
31.65
5jdcD-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.
5ujs UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF00275
(EPSP_synthase) 		5 HIS A 259
ASP A 232
VAL A 229
LEU A  28
PRO A  27
 None
 1.43A 5jdcA-5ujsA:
undetectable
5jdcD-5ujsA:
undetectable		 5jdcA-5ujsA:
21.98
5jdcD-5ujsA:
21.98
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 HIS A 262
ASP A 235
VAL A 232
LEU A  29
PRO A  28
 None
 1.49A 5jdcA-5wi5A:
1.9
5jdcD-5wi5A:
undetectable		 5jdcA-5wi5A:
22.06
5jdcD-5wi5A:
22.06
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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		5 HIS A 121
SER A 206
PHE A  62
TYR A 216
VAL A 193
 None
 1.45A 5jdcA-5y7oA:
2.3
5jdcD-5y7oA:
undetectable		 5jdcA-5y7oA:
13.79
5jdcD-5y7oA:
13.79