SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXF_B_MTXB2278

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)
 0.66A 1mxfB-1p33A:
41.4		 1mxfB-1p33A:
49.83
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.
1tue REPLICATION PROTEIN
E1

(Alphapapillomavirus
7) 		PF00519
(PPV_E1_C) 		5 SER A 511
PHE A 539
TYR A 538
LEU A 564
THR A 523
 None
 1.23A 1mxfB-1tueA:
undetectable		 1mxfB-1tueA:
20.21
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.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		5 SER A 220
TYR A 215
LEU A 138
PRO A 246
THR A 206
 None
 1.39A 1mxfB-2d40A:
undetectable		 1mxfB-2d40A:
23.27
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)
 0.28A 1mxfB-2qhxA:
40.4		 1mxfB-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)
 0.61A 1mxfB-2qhxA:
40.4		 1mxfB-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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		5 ASP C  31
PHE C  34
LEU C 201
PRO C 194
THR C 220
 None
 1.40A 1mxfB-2ynmC:
2.9		 1mxfB-2ynmC:
23.15
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.
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
 1.48A 1mxfB-3hwcA:
undetectable		 1mxfB-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
 1.38A 1mxfB-3ig4A:
undetectable		 1mxfB-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.
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
 1.33A 1mxfB-3rl2A:
undetectable		 1mxfB-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.
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
 1.43A 1mxfB-4c90A:
undetectable		 1mxfB-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
 1.48A 1mxfB-4dwsA:
3.4		 1mxfB-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
 0.99A 1mxfB-4ipnB:
2.5		 1mxfB-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 1mxfB-4iugA:
2.4		 1mxfB-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.
4lqx TENA/THI-4
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4)
PF16293
(zf-C2H2_9) 		5 ASP A 244
PHE A 236
LEU A 201
THR A 175
TYR A 282
 EDO  A 414 (-3.8A)
None
UNL  A 402 ( 4.9A)
None
None
 1.27A 1mxfB-4lqxA:
undetectable		 1mxfB-4lqxA:
22.00
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 1mxfB-4wcdA:
42.9		 1mxfB-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 1mxfB-4yzwA:
undetectable		 1mxfB-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 1mxfB-5eyfA:
undetectable		 1mxfB-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
 1.34A 1mxfB-5fdnA:
1.1		 1mxfB-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
 1.43A 1mxfB-5ja1A:
4.3		 1mxfB-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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 ARG A 517
ASP A 527
LEU A 544
PRO A 549
THR A 592
 None
 1.45A 1mxfB-5nbsA:
4.2		 1mxfB-5nbsA:
17.32
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 1mxfB-5tgdA:
31.8		 1mxfB-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
 1.24A 1mxfB-5u47A:
undetectable		 1mxfB-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 1mxfB-5w1jA:
2.3		 1mxfB-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 1mxfB-5wo6A:
undetectable		 1mxfB-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 1mxfB-5x7hA:
3.6		 1mxfB-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
 1.47A 1mxfB-5yqwA:
undetectable		 1mxfB-5yqwA:
14.34