SIMILAR PATTERNS OF AMINO ACIDS FOR 2BFM_A_TOPA1290_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) 		7 PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
LEU A 229
TYR A 283
 MTX  A 351 (-3.5A)
NDP  A 300 ( 3.7A)
MTX  A 351 (-4.5A)
MTX  A 351 ( 4.4A)
MTX  A 351 ( 4.4A)
MTX  A 351 (-4.9A)
None
 0.65A 2bfmA-1p33A:
44.0
2bfmD-1p33A:
43.4		 2bfmA-1p33A:
80.62
2bfmD-1p33A:
80.62
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.
1uch UBIQUITIN C-TERMINAL
HYDROLASE UCH-L3

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 PHE A 122
LEU A 138
TYR A 137
LEU A  23
ARG A   5
 None
 1.09A 2bfmA-1uchA:
0.0
2bfmD-1uchA:
undetectable		 2bfmA-1uchA:
22.04
2bfmD-1uchA:
22.04
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 PHE A 294
LEU A  14
LEU A  18
HIS A 313
TYR A  10
 None
 1.30A 2bfmA-1wu2A:
1.7
2bfmD-1wu2A:
2.3		 2bfmA-1wu2A:
19.95
2bfmD-1wu2A:
19.95
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 PHE A 141
LEU A 171
LEU A 167
LEU A 164
TYR A  99
 None
 1.15A 2bfmA-1yy5A:
3.3
2bfmD-1yy5A:
3.7		 2bfmA-1yy5A:
20.98
2bfmD-1yy5A:
20.98
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.
2ehb CALCINEURIN B-LIKE
PROTEIN 4
CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF03822
(NAF)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 PHE A  95
LEU A  41
LEU A 192
LEU D 324
TYR A 194
 None
 1.33A 2bfmA-2ehbA:
undetectable
2bfmD-2ehbA:
undetectable		 2bfmA-2ehbA:
19.53
2bfmD-2ehbA:
19.53
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) 		8 PHE A 113
ASP A 181
LEU A 188
TYR A 194
LEU A 226
LEU A 229
HIS A 241
TYR A 283
 FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 (-4.5A)
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
None
FE1  A1301 (-4.2A)
None
 0.40A 2bfmA-2qhxA:
45.8
2bfmD-2qhxA:
44.9		 2bfmA-2qhxA:
87.80
2bfmD-2qhxA:
87.80
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 PHE A 113
LEU A 188
TYR A 194
LEU A 226
HIS A 241
 FE1  A1301 (-3.4A)
FE1  A1301 (-4.5A)
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
FE1  A1301 (-4.2A)
 1.34A 2bfmA-2qhxA:
45.8
2bfmD-2qhxA:
44.9		 2bfmA-2qhxA:
87.80
2bfmD-2qhxA:
87.80
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.
2w2k D-MANDELATE
DEHYDROGENASE

(Rhodotorula
graminis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE B  84
LEU B   9
LEU B  44
LEU B  73
TYR B  49
 None
 1.40A 2bfmA-2w2kB:
6.4
2bfmD-2w2kB:
1.9		 2bfmA-2w2kB:
21.19
2bfmD-2w2kB:
21.19
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.
2zsi DELLA PROTEIN GAI
PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3)
PF12041
(DELLA) 		5 LEU A  49
TYR A  48
LEU B  80
LEU B  84
TYR B  36
 None
 1.39A 2bfmA-2zsiA:
4.2
2bfmD-2zsiA:
2.1		 2bfmA-2zsiA:
21.94
2bfmD-2zsiA:
21.94
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 ASP A  30
TYR A  79
LEU A  18
LEU A  14
TYR A  22
 None
 1.30A 2bfmA-4conA:
3.3
2bfmD-4conA:
3.2		 2bfmA-4conA:
17.68
2bfmD-4conA:
17.68
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.
4pcb TRWC

(Escherichia
coli) 		PF08751
(TrwC) 		5 ASP A 111
LEU A 160
LEU A 200
LEU A 204
TYR A 196
 None
 1.23A 2bfmA-4pcbA:
undetectable
2bfmD-4pcbA:
undetectable		 2bfmA-4pcbA:
24.29
2bfmD-4pcbA:
24.29
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		5 PHE A 446
LEU A 432
TYR A 442
LEU A 455
LEU A 472
 None
 1.15A 2bfmA-4r7pA:
1.7
2bfmD-4r7pA:
2.0		 2bfmA-4r7pA:
19.92
2bfmD-4r7pA:
19.92
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.
5f0k VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35

(Homo sapiens) 		PF03635
(Vps35) 		5 PHE A 187
LEU A 224
LEU A 243
LEU A 247
TYR A 238
 None
 1.12A 2bfmA-5f0kA:
undetectable
2bfmD-5f0kA:
undetectable		 2bfmA-5f0kA:
21.80
2bfmD-5f0kA:
21.80
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.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ASP A 365
LEU A 152
LEU A 381
LEU A 438
HIS A 390
 None
FAD  A 600 (-4.7A)
FAD  A 600 (-4.8A)
CIY  A 602 (-4.8A)
FAD  A 600 ( 2.6A)
 1.42A 2bfmA-5fxeA:
undetectable
2bfmD-5fxeA:
undetectable		 2bfmA-5fxeA:
21.70
2bfmD-5fxeA:
21.70
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
LEU A 435
TYR A 439
LEU A 263
HIS A 409
 None
 1.40A 2bfmA-5ja1A:
undetectable
2bfmD-5ja1A:
4.6		 2bfmA-5ja1A:
12.18
2bfmD-5ja1A:
12.18
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 5 PHE A 248
LEU A 254
LEU A 138
LEU A 281
ARG A 137
 None
 1.42A 2bfmA-6c66A:
undetectable
2bfmD-6c66A:
undetectable		 2bfmA-6c66A:
14.48
2bfmD-6c66A:
14.48
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 5 PHE A 331
LEU A 378
LEU A 464
LEU A 477
TYR A 460
 None
 1.42A 2bfmA-6dd6A:
3.0
2bfmD-6dd6A:
3.7		 2bfmA-6dd6A:
undetectable
2bfmD-6dd6A:
undetectable