SIMILAR PATTERNS OF AMINO ACIDS FOR 4OLT_A_GCSA301

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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		4 ASP B 198
GLY B 172
PRO B 215
GLN B 147
 None
 1.38A 4oltA-1ccwB:
0.0		 4oltA-1ccwB:
21.29
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 ASP A 356
GLY A 309
PRO A 310
GLN A 342
 None
 1.42A 4oltA-1itkA:
0.0		 4oltA-1itkA:
18.47
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.
1pn9 GLUTATHIONE
S-TRANSFERASE 1-6

(Anopheles
gambiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ASP A 201
GLY A   8
PRO A   7
GLN A  16
 None
 1.30A 4oltA-1pn9A:
0.0		 4oltA-1pn9A:
22.18
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.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 ASP A 433
GLY A 428
PRO A 429
GLN A 515
 None
 1.44A 4oltA-2gjxA:
0.0		 4oltA-2gjxA:
19.02
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.
2gu2 ASPA PROTEIN

(Rattus
norvegicus) 		PF04952
(AstE_AspA) 		4 ASP A 250
GLY A 179
PRO A 180
GLN A 193
 None
 1.05A 4oltA-2gu2A:
0.4		 4oltA-2gu2A:
19.12
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.
2hyj PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 ASP A 149
GLY A  85
PRO A  84
GLN A 139
 None
 1.31A 4oltA-2hyjA:
0.0		 4oltA-2hyjA:
23.32
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.
2uur COLLAGEN ALPHA-1(IX)
CHAIN

(Homo sapiens) 		no annotation 4 ASP A 138
GLY A 187
PRO A 188
GLN A 118
 None
 1.36A 4oltA-2uurA:
0.0		 4oltA-2uurA:
21.65
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.
3cn7 CARBOXYLESTERASE

(Pseudomonas
aeruginosa) 		PF02230
(Abhydrolase_2) 		4 ASP A  25
GLY A  23
PRO A  64
GLN A 114
 None
 1.39A 4oltA-3cn7A:
0.0		 4oltA-3cn7A:
21.67
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.
3inp D-RIBULOSE-PHOSPHATE
3-EPIMERASE

(Francisella
tularensis) 		PF00834
(Ribul_P_3_epim) 		4 ASP A  36
GLY A 144
PRO A 143
GLN A 148
 None
 1.44A 4oltA-3inpA:
0.0		 4oltA-3inpA:
21.69
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		4 ASP A 320
GLY A 329
PRO A 330
GLN A  98
 None
 1.28A 4oltA-3k2wA:
0.4		 4oltA-3k2wA:
19.41
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		4 ASP A 307
GLY A  71
PRO A  70
GLN A 299
 None
 1.25A 4oltA-3ncyA:
undetectable		 4oltA-3ncyA:
20.27
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 ASP A 423
GLY A 260
PRO A 259
GLN A 265
 None
 1.38A 4oltA-3zk4A:
undetectable		 4oltA-3zk4A:
17.31
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.
4i34 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Escherichia
coli) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP A 255
GLY A 119
PRO A 120
GLN A  81
 None
 1.25A 4oltA-4i34A:
undetectable		 4oltA-4i34A:
25.24
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 ASP A  58
GLY A  83
PRO A  84
GLN A 186
 None
 1.33A 4oltA-4mptA:
undetectable		 4oltA-4mptA:
23.82
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.
4nv1 FORMYLTRANSFERASE

(Francisella
tularensis) 		no annotation 4 ASP C 127
GLY C  94
PRO C  93
GLN C 105
 None
None
None
0FX  C 301 (-3.1A)
 1.38A 4oltA-4nv1C:
undetectable		 4oltA-4nv1C:
21.66
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.
4tnu ASPARTOACYLASE

(Homo sapiens) 		PF04952
(AstE_AspA) 		4 ASP A 251
GLY A 180
PRO A 181
GLN A 194
 None
 1.08A 4oltA-4tnuA:
undetectable		 4oltA-4tnuA:
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.
4yfv VIOF

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N) 		4 ASP A 129
GLY A  96
PRO A  95
GLN A 107
 None
 1.36A 4oltA-4yfvA:
undetectable		 4oltA-4yfvA:
19.92
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		4 ASP A 518
GLY A 521
PRO A 522
GLN A 526
 None
 1.23A 4oltA-5esoA:
undetectable		 4oltA-5esoA:
18.02
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 4 ASP B 120
GLY B 124
PRO B 125
GLN B 173
 None
 1.47A 4oltA-5gq0B:
undetectable		 4oltA-5gq0B:
22.59
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 ASP A2335
GLY A2375
PRO A2369
GLN A2263
 None
 1.27A 4oltA-5yz0A:
0.5		 4oltA-5yz0A:
14.35
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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 4 ASP A 214
GLY A 177
PRO A 178
GLN A  14
 None
None
None
NDP  A 401 (-4.9A)
 1.45A 4oltA-6d2vA:
undetectable		 4oltA-6d2vA:
15.89