SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXF_D_MTXD4278_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.
1p33 PTERIDINE REDUCTASE
1

(Leishmania
tarentolae) 		PF13561
(adh_short_C2) 		8 ARG A  17
SER A 111
ASP A 181
LEU A 188
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 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-3.3A)
MTX  A 351 (-4.7A)
 0.65A 1mxfD-1p33A:
41.4		 1mxfD-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)
 0.29A 1mxfD-2qhxA:
40.6		 1mxfD-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)
 0.63A 1mxfD-2qhxA:
40.6		 1mxfD-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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		5 SER A 408
LEU A  58
PRO A 423
THR A 163
TYR A 152
 None
None
None
None
PLP  A 458 (-4.5A)
 1.42A 1mxfD-3fcrA:
2.8		 1mxfD-3fcrA:
23.26
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
 1.44A 1mxfD-3hwcA:
undetectable		 1mxfD-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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 403
ASP A 189
LEU A 215
PHE A 211
THR A 349
 None
 1.36A 1mxfD-3ig4A:
undetectable		 1mxfD-3ig4A:
19.15
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
 1.49A 1mxfD-3rfeA:
undetectable		 1mxfD-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.
3rl2 HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, A-3 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ASP A 116
PHE A   9
LEU A 156
THR A 163
TYR A 159
 None
 1.34A 1mxfD-3rl2A:
undetectable		 1mxfD-3rl2A:
21.75
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.
3tch PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 TYR A 446
TYR A 141
LEU A 453
THR A 489
TYR A 492
 None
 1.07A 1mxfD-3tchA:
undetectable		 1mxfD-3tchA:
18.97
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		5 SER A 562
TYR A 571
PHE A 503
LEU A 552
TYR A 518
 None
 1.42A 1mxfD-4c90A:
undetectable		 1mxfD-4c90A:
14.84
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 TYR A 520
PHE A 534
LEU A 129
PRO A 511
THR A 429
 None
 1.47A 1mxfD-4dwsA:
1.7		 1mxfD-4dwsA:
19.53
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.
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
 0.97A 1mxfD-4ipnB:
2.5		 1mxfD-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
 1.28A 1mxfD-4iugA:
undetectable		 1mxfD-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.
4l7w HD DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF13023
(HD_3) 		5 ARG A  52
LEU A 164
PHE A 167
TYR A 168
LEU A 157
 None
 1.23A 1mxfD-4l7wA:
undetectable		 1mxfD-4l7wA:
22.95
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 ARG A  14
SER A  95
ASP A 161
PHE A 171
TYR A 174
PRO A 210
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
NAP  A 301 ( 3.8A)
None
3KH  A 302 ( 4.7A)
3KH  A 302 ( 4.0A)
 0.48A 1mxfD-4wcdA:
43.0		 1mxfD-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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ARG A 244
SER A 233
ASP A 377
PHE A  99
LEU A 363
 None
 1.18A 1mxfD-4yzwA:
undetectable		 1mxfD-4yzwA:
18.67
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
 1.32A 1mxfD-5eyfA:
undetectable		 1mxfD-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.
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
 1.42A 1mxfD-5ja1A:
4.1		 1mxfD-5ja1A:
13.54
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
ASP A 155
PHE A 165
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
NAP  A 301 ( 3.8A)
None
None
 0.55A 1mxfD-5tgdA:
31.9		 1mxfD-5tgdA:
32.08
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 SER A 351
PHE A 428
TYR A 426
THR A 594
TYR A 592
 None
 1.23A 1mxfD-5u47A:
undetectable		 1mxfD-5u47A:
17.49
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
 1.40A 1mxfD-5w1jA:
2.4		 1mxfD-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)
 1.18A 1mxfD-5wo6A:
undetectable		 1mxfD-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
 1.45A 1mxfD-5x7hA:
1.7		 1mxfD-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 1mxfD-5yqwA:
undetectable		 1mxfD-5yqwA:
14.34
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 ARG A 374
TYR A 544
LEU A 519
THR A 671
TYR A 652
 G1P  A1002 (-3.9A)
None
None
None
None
 1.49A 1mxfD-6gh2A:
undetectable		 1mxfD-6gh2A:
12.50