SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_C_377C402_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
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.
1na3 DESIGNED PROTEIN
CTPR2

(unidentified) 		PF13432
(TPR_16) 		4 TYR A  15
ASN A  12
GLU A  73
TYR A  42
 None
None
TRS  A 101 (-3.6A)
TRS  A 101 ( 4.3A)
 1.33A 4twdC-1na3A:
1.9
4twdD-1na3A:
undetectable		 4twdC-1na3A:
14.29
4twdD-1na3A:
14.29
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 355
GLU A 361
TYR A 415
PHE A 381
 None
 0.88A 4twdC-1nylA:
0.0
4twdD-1nylA:
0.0		 4twdC-1nylA:
19.37
4twdD-1nylA:
19.37
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		4 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.22A 4twdC-2ayiA:
0.0
4twdD-2ayiA:
0.0		 4twdC-2ayiA:
20.36
4twdD-2ayiA:
20.36
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.
2iqx PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN
1

(Rattus
norvegicus) 		PF01161
(PBP) 		4 ASN A  91
GLU A 135
TYR A 158
PHE A 154
 None
 1.06A 4twdC-2iqxA:
0.0
4twdD-2iqxA:
0.0		 4twdC-2iqxA:
19.74
4twdD-2iqxA:
19.74
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 TYR A 467
ASN A 420
GLU A 376
TYR A 387
 None
 1.28A 4twdC-2jf4A:
1.9
4twdD-2jf4A:
1.9		 4twdC-2jf4A:
20.00
4twdD-2jf4A:
20.00
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.
2qnt UNCHARACTERIZED
PROTEIN ATU1872

(Agrobacterium
fabrum) 		PF12681
(Glyoxalase_2) 		4 ASN A  69
GLU A  51
TYR A  65
PHE A   9
 None
 1.42A 4twdC-2qntA:
0.0
4twdD-2qntA:
0.0		 4twdC-2qntA:
17.61
4twdD-2qntA:
17.61
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.
2wqh CTPR3Y3

(synthetic
construct) 		PF13414
(TPR_11)
PF13432
(TPR_16) 		4 TYR A  20
ASN A  17
GLU A  78
TYR A  47
 None
 1.20A 4twdC-2wqhA:
undetectable
4twdD-2wqhA:
undetectable		 4twdC-2wqhA:
16.49
4twdD-2wqhA:
16.49
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.
3nr5 REPRESSOR OF RNA
POLYMERASE III
TRANSCRIPTION MAF1
HOMOLOG

(Homo sapiens) 		PF09174
(Maf1) 		4 ASN A  54
GLU A  70
TYR A 121
PHE A  71
 None
 1.48A 4twdC-3nr5A:
0.0
4twdD-3nr5A:
0.0		 4twdC-3nr5A:
18.21
4twdD-3nr5A:
18.21
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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		4 TYR A 153
ASN A 177
GLU A 109
TYR A  90
 None
 1.45A 4twdC-3q6tA:
0.0
4twdD-3q6tA:
0.0		 4twdC-3q6tA:
23.02
4twdD-3q6tA:
23.02
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 1.07A 4twdC-3rm5A:
3.4
4twdD-3rm5A:
3.6		 4twdC-3rm5A:
16.91
4twdD-3rm5A:
16.91
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.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TYR A 403
ASN A 404
TYR A 104
PHE A 181
 QNB  A1162 (-3.9A)
QNB  A1162 (-2.9A)
QNB  A1162 (-4.0A)
QNB  A1162 (-4.4A)
 1.31A 4twdC-3uonA:
2.7
4twdD-3uonA:
2.8		 4twdC-3uonA:
19.33
4twdD-3uonA:
19.33
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.
3zcb ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE VBHT

(Bartonella
schoenbuchensis) 		PF02661
(Fic) 		4 ASN A 142
GLU A  35
TYR A  72
PHE A  68
 ATP  A 300 (-3.8A)
GOL  A1199 (-2.7A)
None
None
 1.40A 4twdC-3zcbA:
1.4
4twdD-3zcbA:
1.9		 4twdC-3zcbA:
20.39
4twdD-3zcbA:
20.39
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 599
GLU A 591
TYR A 623
PHE A 590
 None
 1.31A 4twdC-4c7vA:
0.3
4twdD-4c7vA:
0.1		 4twdC-4c7vA:
17.60
4twdD-4c7vA:
17.60
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 TYR A 303
GLU A  39
TYR A 199
PHE A 275
 None
 1.43A 4twdC-4hooA:
undetectable
4twdD-4hooA:
undetectable		 4twdC-4hooA:
20.35
4twdD-4hooA:
20.35
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 TYR A 229
ASN A 232
TYR A 201
PHE A 283
 None
None
FMT  A 501 (-3.3A)
FMT  A 501 (-3.1A)
 1.27A 4twdC-4kv7A:
undetectable
4twdD-4kv7A:
undetectable		 4twdC-4kv7A:
21.68
4twdD-4kv7A:
21.68
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 TYR A 300
GLU A  36
TYR A 196
PHE A 272
 None
 1.46A 4twdC-4lxlA:
undetectable
4twdD-4lxlA:
undetectable		 4twdC-4lxlA:
20.57
4twdD-4lxlA:
20.57
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 368
GLU A 374
TYR A 428
PHE A 394
 None
 0.77A 4twdC-4p2bA:
undetectable
4twdD-4p2bA:
undetectable		 4twdC-4p2bA:
17.79
4twdD-4p2bA:
17.79
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.
4r16 418AA LONG
HYPOTHETICAL
UDP-N-ACETYL-D-MANNO
SAMINURONIC ACID
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 TYR A 350
GLU A 376
TYR A 347
PHE A 377
 None
 1.33A 4twdC-4r16A:
1.2
4twdD-4r16A:
1.2		 4twdC-4r16A:
20.66
4twdD-4r16A:
20.66
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.
5a6s ENDOLYSIN

(Clostridium
phage phiCTP1) 		PF01183
(Glyco_hydro_25) 		4 TYR A 145
ASN A 144
GLU A  94
TYR A 121
 None
None
SO4  A1274 (-3.0A)
SO4  A1274 (-4.4A)
 1.39A 4twdC-5a6sA:
undetectable
4twdD-5a6sA:
undetectable		 4twdC-5a6sA:
20.62
4twdD-5a6sA:
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 357
GLU A 364
TYR A 417
PHE A 383
 None
 0.87A 4twdC-5bnzA:
undetectable
4twdD-5bnzA:
undetectable		 4twdC-5bnzA:
21.68
4twdD-5bnzA:
21.68
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.
5bop NANOBODY
OCTARELLIN V.1

(Lama glama;
synthetic
construct) 		PF07686
(V-set)
no annotation 		4 TYR A 106
ASN B 149
GLU B 155
TYR A  32
 None
 1.43A 4twdC-5bopA:
undetectable
4twdD-5bopA:
undetectable		 4twdC-5bopA:
17.69
4twdD-5bopA:
17.69
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.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 ASN A2470
GLU A2243
TYR A2348
PHE A2242
 None
 1.08A 4twdC-5fzoA:
undetectable
4twdD-5fzoA:
undetectable		 4twdC-5fzoA:
22.22
4twdD-5fzoA:
22.22
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.
5h1q INNEXIN-6

(Caenorhabditis
elegans) 		PF00876
(Innexin) 		4 TYR A 219
GLU A 274
TYR A 104
PHE A 277
 None
 1.33A 4twdC-5h1qA:
4.1
4twdD-5h1qA:
3.1		 4twdC-5h1qA:
23.13
4twdD-5h1qA:
23.13
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.
5nv5 FIC FAMILY PROTEIN

(Enterococcus
faecalis) 		no annotation 4 ASN A 124
GLU A  25
TYR A  65
PHE A  61
 None
 1.35A 4twdC-5nv5A:
2.8
4twdD-5nv5A:
2.5		 4twdC-5nv5A:
13.98
4twdD-5nv5A:
13.98
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.
5yhb POLYHEDRIN

(Cypovirus 1) 		no annotation 4 TYR A 165
ASN A 237
GLU A 217
TYR A 232
 None
 1.44A 4twdC-5yhbA:
undetectable
4twdD-5yhbA:
undetectable		 4twdC-5yhbA:
21.71
4twdD-5yhbA:
21.71
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.
5zib -

(-) 		no annotation 4 TYR A 602
GLU A 606
TYR A 566
PHE A 607
 None
 1.39A 4twdC-5zibA:
undetectable
4twdD-5zibA:
undetectable		 4twdC-5zibA:
undetectable
4twdD-5zibA:
undetectable