SIMILAR PATTERNS OF AMINO ACIDS FOR 4OLT_A_GCSA304

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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 TYR A 161
ILE A 184
THR A  95
TYR A 339
 None
 1.38A 4oltA-1lnlA:
undetectable		 4oltA-1lnlA:
18.64
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) 		4 TYR A  29
ILE A 257
THR A 149
TYR A   7
 None
 1.44A 4oltA-1nj8A:
0.0		 4oltA-1nj8A:
21.27
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.
1o94 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Methylophilus
methylotrophus) 		PF01012
(ETF) 		4 TYR D 112
ILE D  83
THR D 150
TYR D 102
 None
 1.37A 4oltA-1o94D:
0.0		 4oltA-1o94D:
21.26
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 TYR A 336
ILE A 211
THR A 215
TYR A 238
 None
 1.37A 4oltA-1sb8A:
0.0		 4oltA-1sb8A:
26.28
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.
1wox HEME OXYGENASE 2

(Synechocystis
sp. PCC 6803) 		PF01126
(Heme_oxygenase) 		4 TYR A 156
ILE A 141
THR A 153
TYR A  24
 None
 1.29A 4oltA-1woxA:
0.1		 4oltA-1woxA:
20.74
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 TYR A 228
ILE A 183
THR A 229
TYR A 433
 None
 1.09A 4oltA-2f43A:
0.0		 4oltA-2f43A:
22.20
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		4 TYR A 325
ILE A 395
THR A 398
TYR A 390
 None
 1.37A 4oltA-2xlrA:
0.0		 4oltA-2xlrA:
19.78
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 TYR A 261
ILE A 271
THR A 264
TYR A 409
 None
 1.43A 4oltA-3k9tA:
0.0		 4oltA-3k9tA:
18.22
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 TYR A 238
ILE A 129
THR A 239
TYR A 137
 None
None
None
GOL  A 306 (-4.8A)
 1.14A 4oltA-4e4yA:
1.0		 4oltA-4e4yA:
19.49
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 673
ILE A 666
THR A 667
TYR A 701
 TYR  A 673 ( 1.3A)
ILE  A 666 ( 0.7A)
THR  A 667 ( 0.8A)
TYR  A 701 ( 1.3A)
 1.34A 4oltA-4flxA:
undetectable		 4oltA-4flxA:
15.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qwp CHITOSANASE

(Pseudomonas sp.
A-01) 		PF01374
(Glyco_hydro_46) 		4 TYR A  37
ILE A  41
THR A  48
TYR A 233
 GCS  A 303 (-4.7A)
GCS  A 303 (-4.2A)
GCS  A 303 ( 4.2A)
GCS  A 304 (-3.5A)
 0.09A 4oltA-4qwpA:
41.9		 4oltA-4qwpA:
99.60
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.
4xdk POTASSIUM CHANNEL
SUBFAMILY K MEMBER
10

(Homo sapiens) 		PF07885
(Ion_trans_2) 		4 TYR A 175
ILE A 309
THR A 278
TYR A 301
 None
 1.22A 4oltA-4xdkA:
undetectable		 4oltA-4xdkA:
22.76
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 TYR A 576
ILE A 670
THR A 515
TYR A 609
 None
 1.43A 4oltA-5k04A:
undetectable		 4oltA-5k04A:
15.91
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 TYR A 707
ILE A 785
THR A 787
TYR A 559
 None
 1.49A 4oltA-6cg0A:
undetectable		 4oltA-6cg0A:
12.15
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 537
ILE A 394
THR A 530
TYR A 346
 None
 1.29A 4oltA-6f91A:
undetectable		 4oltA-6f91A:
17.00