SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXF_A_MTXA1278

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.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		7 ARG A  17
SER A 111
ASP A 181
LEU A 188
TYR A 194
PRO A 230
TYR A 241
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
 0.51A 1mxfA-1p33A:
41.3		 1mxfA-1p33A:
49.83
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
ASP A 181
TYR A 194
LEU A 226
PRO A 230
TYR A 241
 NDP  A 300 ( 3.7A)
MTX  A 351 ( 2.8A)
NDP  A 300 ( 3.7A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
 0.70A 1mxfA-1p33A:
41.3		 1mxfA-1p33A:
49.83
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 ARG A  17
SER A 111
ASP A 181
LEU A 188
TYR A 194
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
NAP  A1300 ( 3.6A)
FE1  A1301 (-4.5A)
FE1  A1301 ( 4.5A)
 0.30A 1mxfA-2qhxA:
40.2		 1mxfA-2qhxA:
43.77
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 ARG A  17
SER A 111
ASP A 181
TYR A 194
LEU A 226
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
NAP  A1300 ( 3.6A)
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
 0.66A 1mxfA-2qhxA:
40.2		 1mxfA-2qhxA:
43.77
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ARG A3143
SER A3067
ASP A3103
TYR A3085
THR A3350
 None
 1.43A 1mxfA-3hwcA:
undetectable		 1mxfA-3hwcA:
19.46
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.
3rfe PLATELET
GLYCOPROTEIN IB BETA
CHAIN

(Homo sapiens) 		PF01463
(LRRCT) 		5 ASP A  51
LEU A  56
LEU A  79
PRO A  83
TYR A  88
 None
 1.44A 1mxfA-3rfeA:
undetectable		 1mxfA-3rfeA:
19.42
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.
4ipn 6-PHOSPHO-BETA-GLUCO
SIDASE

(Streptococcus
pneumoniae) 		PF00232
(Glyco_hydro_1) 		5 ARG B  80
SER B 124
TYR B 126
LEU B 178
LEU B 229
 None
None
1FT  B 501 (-4.7A)
None
None
 1.00A 1mxfA-4ipnB:
3.2		 1mxfA-4ipnB:
18.24
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 SER A 394
ASP A 476
LEU A 447
THR A 404
TYR A 408
 None
 1.26A 1mxfA-4iugA:
0.3		 1mxfA-4iugA:
14.33
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ARG A 458
TYR A 148
ASP A 517
TYR A 487
TYR A  92
 None
 1.50A 1mxfA-4mruA:
undetectable		 1mxfA-4mruA:
19.33
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
SER A  95
ASP A 161
TYR A 174
PRO A 210
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.7A)
3KH  A 302 ( 4.0A)
 0.50A 1mxfA-4wcdA:
42.7		 1mxfA-4wcdA:
58.93
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.
5eyf GLUTAMATE ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Enterococcus
faecium) 		PF00497
(SBP_bac_3) 		5 ARG A 118
TYR A 226
ASP A  68
TYR A 128
THR A 198
 GGL  A 301 (-2.9A)
GGL  A 301 (-4.8A)
None
None
None
 1.28A 1mxfA-5eyfA:
undetectable		 1mxfA-5eyfA:
21.58
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		5 ARG A  71
SER A  64
LEU A 102
LEU A 888
THR A 967
 None
 1.35A 1mxfA-5fdnA:
undetectable		 1mxfA-5fdnA:
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ASP A 432
TYR A 439
LEU A 263
PRO A 796
THR A 405
 None
 1.41A 1mxfA-5ja1A:
4.1		 1mxfA-5ja1A:
13.54
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 SER A 233
LEU A 193
LEU A 169
PRO A 229
THR A 226
 None
 1.47A 1mxfA-5t0lA:
undetectable		 1mxfA-5t0lA:
19.29
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 SER A 131
ASP A 459
LEU A  53
LEU A  11
THR A  70
 None
 1.36A 1mxfA-5w1jA:
2.4		 1mxfA-5w1jA:
17.82
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.
5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 TYR A 154
LEU A 205
TYR A 161
LEU A 240
THR A 298
 TYR  A 154 ( 1.3A)
LEU  A 205 ( 0.6A)
TYR  A 161 ( 1.3A)
LEU  A 240 ( 0.6A)
THR  A 298 ( 0.8A)
 1.13A 1mxfA-5wo6A:
undetectable		 1mxfA-5wo6A:
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.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 SER A 140
ASP A 614
LEU A 612
TYR A 146
THR A 708
 None
 1.39A 1mxfA-5x7hA:
3.4		 1mxfA-5x7hA:
16.11
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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 5 ARG A 436
SER A 359
TYR A 407
ASP A 365
LEU A 484
 CBS  A 604 (-3.1A)
None
None
CBS  A 604 (-2.9A)
None
 1.49A 1mxfA-5yqwA:
undetectable		 1mxfA-5yqwA:
14.34