SIMILAR PATTERNS OF AMINO ACIDS FOR 4CUT_A_TYLA2971

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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 VAL A 217
VAL A 158
ASN A 170
ILE A 173
 None
 1.07A 4cutA-1g59A:
undetectable		 4cutA-1g59A:
15.26
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.
1qk1 CREATINE KINASE,
UBIQUITOUS
MITOCHONDRIAL

(Homo sapiens) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 VAL A 290
VAL A 121
ASN A 353
ILE A 349
 None
 1.30A 4cutA-1qk1A:
0.1		 4cutA-1qk1A:
17.17
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.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 VAL A 117
VAL A 120
ASN A  30
ILE A  25
 None
None
GOL  A1401 (-3.2A)
None
 1.37A 4cutA-1wy2A:
undetectable		 4cutA-1wy2A:
17.67
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.
2qgn TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Bacillus
halodurans) 		PF01715
(IPPT) 		4 VAL A 284
VAL A   9
ASN A 106
ILE A 109
 None
 1.24A 4cutA-2qgnA:
0.0		 4cutA-2qgnA:
17.25
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		4 VAL A 403
VAL A 386
ASN A 382
ILE A 440
 None
 1.28A 4cutA-2zyiA:
undetectable		 4cutA-2zyiA:
15.17
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 VAL A  39
VAL A 238
ASN A 187
ILE A 151
 None
 1.43A 4cutA-3cdiA:
1.4		 4cutA-3cdiA:
10.69
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 210
VAL A 216
ASN A 237
ILE A 234
 None
 1.23A 4cutA-3gdcA:
undetectable		 4cutA-3gdcA:
17.07
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 VAL A  16
VAL A 215
ASN A 164
ILE A 128
 None
 1.43A 4cutA-3gmeA:
undetectable		 4cutA-3gmeA:
12.98
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.
3ii6 DNA LIGASE 4

(Homo sapiens) 		PF00533
(BRCT)
PF11411
(DNA_ligase_IV) 		4 VAL X 863
VAL X 860
ASN X 827
ILE X 826
 None
 1.36A 4cutA-3ii6X:
undetectable		 4cutA-3ii6X:
16.73
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.
3unv ADMH

(Pantoea
agglomerans) 		PF00221
(Lyase_aromatic) 		4 VAL A 230
VAL A 226
ASN A 348
ILE A  35
 None
 1.32A 4cutA-3unvA:
1.1		 4cutA-3unvA:
11.86
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.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 4 VAL A  77
VAL A  80
ASN A 183
ILE A 153
 None
 1.19A 4cutA-3uxfA:
undetectable		 4cutA-3uxfA:
14.14
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.
3v2h D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 VAL A 186
VAL A 226
ASN A  88
ILE A 138
 None
 1.15A 4cutA-3v2hA:
0.3		 4cutA-3v2hA:
19.05
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.
3wic GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 VAL A  89
VAL A  74
ASN A  80
ILE A 137
 None
None
None
1PE  A1005 (-4.7A)
 1.13A 4cutA-3wicA:
undetectable		 4cutA-3wicA:
15.19
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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		4 VAL A 211
VAL A 227
ASN A  96
ILE A 157
 NDP  A 300 (-4.0A)
None
NDP  A 300 (-3.3A)
NDP  A 300 (-4.4A)
 1.24A 4cutA-3wxbA:
undetectable		 4cutA-3wxbA:
16.13
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		4 VAL I 343
VAL I 295
ASN I 273
ILE I 276
 None
 1.11A 4cutA-4c1nI:
undetectable		 4cutA-4c1nI:
13.36
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.
4c47 INNER MEMBRANE
LIPOPROTEIN

(Salmonella
enterica) 		PF11622
(DUF3251) 		4 VAL A 210
VAL A 140
ASN A 107
ILE A 205
 None
 1.08A 4cutA-4c47A:
undetectable		 4cutA-4c47A:
17.07
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		4 VAL A 282
VAL A 264
ASN A 219
ILE A 222
 None
 1.20A 4cutA-4ehjA:
0.0		 4cutA-4ehjA:
15.42
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		4 VAL A 243
VAL A 255
ASN A 182
ILE A 178
 None
 1.01A 4cutA-4jc5A:
undetectable		 4cutA-4jc5A:
20.69
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.
4k82 LV-RANASPUMIN
(LV-RSN-1)

(Leptodactylus
vastus) 		no annotation 4 VAL A 135
VAL A  35
ASN A 209
ILE A 213
 None
 1.37A 4cutA-4k82A:
undetectable		 4cutA-4k82A:
18.98
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		4 VAL A  35
VAL A  33
ASN A 178
ILE A 162
 None
 1.33A 4cutA-4rnlA:
undetectable		 4cutA-4rnlA:
13.99
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 VAL A 526
VAL A 564
ASN A 585
ILE A 584
 None
 1.23A 4cutA-4tz5A:
undetectable		 4cutA-4tz5A:
12.38
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.
4u3j PROTEIN STU2

(Saccharomyces
cerevisiae) 		no annotation 4 VAL C 507
VAL C 503
ASN C 482
ILE C 528
 None
 1.47A 4cutA-4u3jC:
undetectable		 4cutA-4u3jC:
21.40
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.
4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		4 VAL C  57
VAL C  43
ASN C  17
ILE C  16
 None
 1.21A 4cutA-4zohC:
undetectable		 4cutA-4zohC:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cqa BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B

(Homo sapiens) 		PF00439
(Bromodomain) 		4 VAL A1893
VAL A1898
ASN A1944
ILE A1950
 2LY  A2001 ( 4.8A)
2LY  A2001 ( 4.9A)
2LY  A2001 (-3.2A)
2LY  A2001 ( 4.5A)
 0.10A 4cutA-5cqaA:
22.2		 4cutA-5cqaA:
100.00
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.
5lda JAMM1
SAMP2

(Pyrococcus
furiosus) 		PF02597
(ThiS)
PF14464
(Prok-JAB) 		4 VAL A  83
VAL A 110
ASN B  12
ILE B   9
 None
None
None
GOL  B 601 (-3.9A)
 1.10A 4cutA-5ldaA:
undetectable		 4cutA-5ldaA:
18.44
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.
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans) 		PF00439
(Bromodomain) 		4 VAL A 238
VAL A 245
ASN A 291
ILE A 297
 None
IOD  A 401 ( 4.1A)
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
 0.83A 4cutA-5n15A:
14.6		 4cutA-5n15A:
28.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5pfr BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B

(Homo sapiens) 		PF00439
(Bromodomain) 		4 VAL A1893
VAL A1898
ASN A1944
ILE A1950
 None
None
EDO  A2001 (-3.2A)
EDO  A2001 ( 4.6A)
 0.16A 4cutA-5pfrA:
22.0		 4cutA-5pfrA:
100.00
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 4 VAL A 537
VAL A 525
ASN A 607
ILE A 604
 None
 1.21A 4cutA-5u30A:
3.6		 4cutA-5u30A:
7.49
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.
5wjm CADHERIN-23

(Mus musculus) 		no annotation 4 VAL A1924
VAL A1847
ASN A1871
ILE A1867
 None
 1.36A 4cutA-5wjmA:
undetectable		 4cutA-5wjmA:
21.74
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Deinococcus
radiodurans;
Synechocystis
sp. PCC 6803) 		no annotation 4 VAL A 715
VAL A 711
ASN A 645
ILE A 675
 None
 1.23A 4cutA-6fhtA:
undetectable		 4cutA-6fhtA:
18.10