SIMILAR PATTERNS OF AMINO ACIDS FOR 3L4D_C_TPFC490

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
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 PHE B 338
TYR B 227
ALA B 263
THR B 280
LEU B 148
 None
 1.20A 3l4dC-1mhyB:
undetectable		 3l4dC-1mhyB:
22.92
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.
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 TYR A 248
MET A 241
PHE A 247
ALA A 286
ALA A 282
 None
 1.45A 3l4dC-1r6uA:
undetectable		 3l4dC-1r6uA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 MET A  79
PHE A  83
ALA A 256
THR A 260
LEU A 321
 ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
HEM  A 470 (-4.1A)
 1.05A 3l4dC-1x8vA:
38.6		 3l4dC-1x8vA:
32.63
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.
2o9r BETA-GLUCOSIDASE B

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		5 PHE A 251
TYR A 169
ALA A 195
ALA A 191
LEU A 311
 None
 1.50A 3l4dC-2o9rA:
undetectable		 3l4dC-2o9rA:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
MET A 106
PHE A 110
THR A 295
LEU A 356
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 4.0A)
None
 1.00A 3l4dC-3kswA:
44.6		 3l4dC-3kswA:
76.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		7 TYR A 103
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 0.92A 3l4dC-3kswA:
44.6		 3l4dC-3kswA:
76.04
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 PHE A 136
ALA A 134
ALA A 182
THR A 166
MET A 192
 None
 1.37A 3l4dC-3m4aA:
undetectable		 3l4dC-3m4aA:
21.34
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.
3nqk UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 PHE A 293
TYR A 295
ALA A 186
THR A 206
LEU A 225
 None
 1.48A 3l4dC-3nqkA:
undetectable		 3l4dC-3nqkA:
20.33
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 MET A 335
PHE A 309
ALA A 311
THR A 326
LEU A 380
 None
 1.29A 3l4dC-3zzuA:
undetectable		 3l4dC-3zzuA:
20.62
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A  84
ALA A  38
ALA A  41
THR A  53
LEU A  50
 None
 1.12A 3l4dC-4cgrA:
undetectable		 3l4dC-4cgrA:
19.44
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.
4dgw PRE-MRNA-SPLICING
FACTOR PRP9

(Saccharomyces
cerevisiae) 		PF12171
(zf-C2H2_jaz)
PF16837
(SF3A3)
PF16958
(PRP9_N) 		5 TYR A 327
PHE A 245
TYR A 324
ALA A 253
ALA A 255
 None
 1.39A 3l4dC-4dgwA:
undetectable		 3l4dC-4dgwA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.84A 3l4dC-4g3jA:
57.8		 3l4dC-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		8 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.54A 3l4dC-4g3jA:
57.8		 3l4dC-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 TYR A 103
MET A 106
TYR A 116
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.92A 3l4dC-4g3jA:
57.8		 3l4dC-4g3jA:
78.62
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 181
ALA A 215
ALA A 219
THR A 251
LEU A 227
 None
 1.42A 3l4dC-4hnlA:
undetectable		 3l4dC-4hnlA:
19.22
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.
4izd ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Ruegeria
pomeroyi) 		PF00378
(ECH_1) 		5 MET A 159
ALA A 125
ALA A 121
THR A 148
LEU A 139
 None
 1.46A 3l4dC-4izdA:
undetectable		 3l4dC-4izdA:
18.60
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 TYR A 249
PHE A 263
ALA A 267
ALA A 270
THR A 283
 None
 1.36A 3l4dC-4ky0A:
undetectable		 3l4dC-4ky0A:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 TYR A 131
PHE A 139
TYR A 145
ALA A 311
THR A 315
 VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
 0.89A 3l4dC-4uhiA:
45.2		 3l4dC-4uhiA:
35.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 TYR A 122
PHE A 130
TYR A 136
ALA A 303
ALA A 307
 VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.4A)
VOR  A 590 ( 4.0A)
 0.98A 3l4dC-4uymA:
36.4		 3l4dC-4uymA:
33.60
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.
4w8v CRISPR SYSTEM CMR
SUBUNIT CMR6

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		5 TYR A 266
PHE A 171
TYR A 267
ALA A 162
LEU A 323
 None
 1.41A 3l4dC-4w8vA:
undetectable		 3l4dC-4w8vA:
21.01
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.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 TYR A 102
PHE A  15
ALA A  92
ALA A  98
THR A  52
 None
 1.26A 3l4dC-4wh3A:
undetectable		 3l4dC-4wh3A:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 TYR A 118
TYR A 132
THR A 311
LEU A 376
MET A 508
 X2N  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.8A)
 0.78A 3l4dC-5fsaA:
39.0		 3l4dC-5fsaA:
30.95
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
PHE A 134
TYR A 140
THR A 318
LEU A 380
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
 0.92A 3l4dC-5hs1A:
39.4		 3l4dC-5hs1A:
28.92
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
TYR A 140
THR A 318
LEU A 380
MET A 509
 VOR  A 602 ( 3.8A)
HEM  A 601 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
VOR  A 602 ( 4.2A)
 1.08A 3l4dC-5hs1A:
39.4		 3l4dC-5hs1A:
28.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 TYR A 127
PHE A 135
TYR A 141
THR A 319
LEU A 381
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-3.5A)
 0.86A 3l4dC-5jlcA:
38.8		 3l4dC-5jlcA:
31.13
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 MET A 188
PHE A 190
ALA A 276
ALA A 280
MET A 310
 NRF  A 601 ( 4.2A)
None
None
NRF  A 601 (-3.4A)
NRF  A 601 ( 4.6A)
 1.25A 3l4dC-5mogA:
undetectable		 3l4dC-5mogA:
23.91
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.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 PHE A  80
ALA A 313
ALA A 317
THR A 320
LEU A  91
 None
 1.34A 3l4dC-5v0iA:
undetectable		 3l4dC-5v0iA:
20.52
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 TYR A 370
ALA A  16
ALA A 392
THR A 377
MET A 400
 FAD  A 701 ( 4.9A)
FAD  A 701 (-3.9A)
None
None
None
 1.30A 3l4dC-5xmjA:
undetectable		 3l4dC-5xmjA:
11.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 8 TYR A 107
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.86A 3l4dC-6ay4A:
46.3		 3l4dC-6ay4A:
36.02
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.
6cfz DAD2
SPC19
SPC34

(Chaetomium
thermophilum) 		no annotation 5 ALA I  62
ALA I  58
THR I  55
LEU J  42
MET C  89
 None
 1.48A 3l4dC-6cfzI:
undetectable		 3l4dC-6cfzI:
10.87