SIMILAR PATTERNS OF AMINO ACIDS FOR 4QOP_D_HQED503_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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 PRO A 121
TYR A 246
LEU A 120
PHE A 235
ASP A 243
 None
 1.41A 4qopD-1nj8A:
0.0		 4qopD-1nj8A:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j2m CATALASE

(Exiguobacterium
oxidotolerans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		8 ILE A  98
ASP A 109
PRO A 110
LEU A 149
GLN A 158
TYR A 163
PHE A 181
ASP A 446
 None
 0.22A 4qopD-2j2mA:
60.2		 4qopD-2j2mA:
63.41
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.
2py8 HYPOTHETICAL PROTEIN
RBCX

(Synechocystis
sp. PCC 6803) 		PF02341
(RcbX) 		5 ILE A  78
LEU A  18
GLN A  21
TYR A  17
LEU A  86
 None
 1.31A 4qopD-2py8A:
undetectable		 4qopD-2py8A:
15.62
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.
2wvw RBCX PROTEIN

(Anabaena sp. CA
= ATCC 33047) 		PF02341
(RcbX) 		5 ILE I  77
LEU I  18
GLN I  21
TYR I  17
LEU I  85
 None
 1.23A 4qopD-2wvwI:
undetectable		 4qopD-2wvwI:
15.93
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.
3bl9 SCAVENGER
MRNA-DECAPPING
ENZYME DCPS

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		5 PRO A 271
LEU A 166
GLN A 169
LEU A 270
ASP A 325
 None
 1.23A 4qopD-3bl9A:
0.6		 4qopD-3bl9A:
19.20
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.
3mx3 SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		5 ILE A 182
ASP A 180
LEU A 237
LEU A 114
PHE A 171
 None
 1.45A 4qopD-3mx3A:
0.2		 4qopD-3mx3A:
20.38
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 ILE A  84
PRO A 248
GLN A  75
PHE A 119
ASP A  95
 None
 0.94A 4qopD-3ppoA:
undetectable		 4qopD-3ppoA:
20.12
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.
3qd2 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 ILE B 617
PRO B 591
GLN B 885
TYR B 615
ASP B 611
 None
 1.46A 4qopD-3qd2B:
0.0		 4qopD-3qd2B:
18.46
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ILE A 543
LEU A 548
GLN A 549
LEU A 486
PHE A 487
 None
 0.84A 4qopD-4ah6A:
0.0		 4qopD-4ah6A:
21.00
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.
4apl APICAL MEMBRANE
ANTIGEN 1

(Neospora
caninum) 		PF02430
(AMA-1) 		5 PRO A 385
LEU A 285
TYR A 288
LEU A  76
PHE A  67
 None
 1.46A 4qopD-4aplA:
0.0		 4qopD-4aplA:
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.
4g34 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 620
PRO A 594
GLN A 886
TYR A 618
ASP A 614
 None
 1.47A 4qopD-4g34A:
0.0		 4qopD-4g34A:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		9 ILE A  99
ASP A 110
PRO A 111
LEU A 150
GLN A 159
TYR A 164
LEU A 181
PHE A 182
ASP A 447
 None
2CH  A 503 (-4.1A)
None
2CH  A 503 (-4.2A)
2CH  A 503 ( 4.5A)
2CH  A 503 (-4.1A)
2CH  A 503 (-4.8A)
2CH  A 503 ( 4.8A)
2CH  A 503 ( 4.6A)
 0.10A 4qopD-4qorA:
64.5		 4qopD-4qorA:
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.
5kzy SMOOTHENED

(Xenopus laevis) 		PF01392
(Fz) 		5 ILE A  95
LEU A  99
TYR A 103
PHE A 139
ASP A  68
 None
None
None
None
CY8  A1201 (-4.2A)
 1.43A 4qopD-5kzyA:
undetectable		 4qopD-5kzyA:
12.70
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.
6d6v TELOMERASE
HOLOENZYME TEB2
SUBUNIT
TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		no annotation 5 ILE E 100
ASP E 107
PRO E 110
GLN E 143
ASP A  95
 None
 1.35A 4qopD-6d6vE:
undetectable		 4qopD-6d6vE:
9.94
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 ILE A 189
LEU A 375
TYR A  98
LEU A 297
ASP A 290
 None
 1.35A 4qopD-6eslA:
undetectable		 4qopD-6eslA:
10.70