SIMILAR PATTERNS OF AMINO ACIDS FOR 2A8T_A_ADNA252_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.
2a8q U8 SNORNA-BINDING
PROTEIN X29

(Xenopus laevis) 		PF00293
(NUDIX) 		8 HIS A  37
ARG A  63
GLY A  72
THR A 122
ILE A 178
ASN A 180
SER A 181
GLN A 184
 POP  A1307 (-4.1A)
POP  A1307 (-3.3A)
MN  A 300 (-4.6A)
None
None
None
None
None
 1.02A 2a8tA-2a8qA:
34.0		 2a8tA-2a8qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a8q U8 SNORNA-BINDING
PROTEIN X29

(Xenopus laevis) 		PF00293
(NUDIX) 		9 HIS A  37
ARG A  63
GLY A  73
PHE A  74
THR A 122
ILE A 178
ASN A 180
SER A 181
GLN A 184
 POP  A1307 (-4.1A)
POP  A1307 (-3.3A)
POP  A1307 (-3.2A)
POP  A1307 (-4.1A)
None
None
None
None
None
 0.38A 2a8tA-2a8qA:
34.0		 2a8tA-2a8qA:
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 345
PHE A 405
ASN A 808
SER A 506
GLN A 807
 None
 1.36A 2a8tA-2y8nA:
undetectable		 2a8tA-2y8nA:
12.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cou NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 16

(Homo sapiens) 		PF00293
(NUDIX) 		5 HIS A  24
ARG A  50
GLY A  59
ILE A 164
GLN A 170
 None
 1.20A 2a8tA-3couA:
28.5		 2a8tA-3couA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cou NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 16

(Homo sapiens) 		PF00293
(NUDIX) 		6 HIS A  24
ARG A  50
GLY A  60
PHE A  61
ILE A 164
GLN A 170
 None
 0.66A 2a8tA-3couA:
28.5		 2a8tA-3couA:
54.34
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.
3gkf ALDOLASE LSRF

(Escherichia
coli) 		no annotation 5 HIS O 150
ILE O 153
ASN O 155
SER O 152
GLN O 151
 None
 1.23A 2a8tA-3gkfO:
0.0		 2a8tA-3gkfO:
21.07
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ARG A 710
THR A 786
ILE A 667
ASN A 705
SER A 706
 None
 1.49A 2a8tA-3sdqA:
0.0		 2a8tA-3sdqA:
13.10
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		5 GLY A  16
PHE A  20
ILE A  41
ASN A  11
GLN A  65
 None
 1.43A 2a8tA-4bi5A:
0.0		 2a8tA-4bi5A:
20.80
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		5 GLY A 254
PHE A 108
THR A 105
ILE A 141
ASN A 102
 None
 1.50A 2a8tA-4r86A:
0.0		 2a8tA-4r86A:
21.45
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 GLY A 410
THR A 414
ILE A 724
SER A 445
GLN A 440
 ADP  A2159 ( 3.3A)
MG  A2160 ( 2.9A)
None
None
MG  A2160 ( 4.9A)
 1.49A 2a8tA-5aorA:
0.0		 2a8tA-5aorA:
9.60
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.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 GLY A  91
PHE A  92
ILE A 308
ASN A 310
SER A 307
 None
 1.12A 2a8tA-5bnzA:
0.0		 2a8tA-5bnzA:
18.66
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		5 GLY A 154
THR A 101
ILE A  63
SER A 178
GLN A 181
 None
 1.20A 2a8tA-5dlkA:
undetectable		 2a8tA-5dlkA:
19.24
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		5 GLY A 154
THR A 101
ILE A  63
SER A 180
GLN A 181
 None
 1.44A 2a8tA-5dlkA:
undetectable		 2a8tA-5dlkA:
19.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6co2 NUDT16-TUDOR-INTERAC
TING (NUDT16TI)

(Homo sapiens) 		no annotation 5 HIS A  24
ARG A  50
GLY A  59
ILE A 165
GLN A 171
 None
 1.11A 2a8tA-6co2A:
28.4		 2a8tA-6co2A:
53.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6co2 NUDT16-TUDOR-INTERAC
TING (NUDT16TI)

(Homo sapiens) 		no annotation 6 HIS A  24
ARG A  50
GLY A  60
PHE A  61
ILE A 165
GLN A 171
 None
 0.63A 2a8tA-6co2A:
28.4		 2a8tA-6co2A:
53.76