SIMILAR PATTERNS OF AMINO ACIDS FOR 2XFS_B_J01B500

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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 TRP B 437
VAL B  76
ILE B 127
LEU B 562
GLY B  24
 None
 1.27A 2xfsB-1e9yB:
0.0		 2xfsB-1e9yB:
20.61
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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 HIS A 126
VAL A 124
ILE A 121
LEU A 106
ALA A  76
 None
 1.47A 2xfsB-1fvpA:
0.0		 2xfsB-1fvpA:
18.60
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.
1ihj INAD

(Drosophila
melanogaster) 		PF00595
(PDZ) 		5 VAL A  87
ILE A  88
LEU A  20
GLY A  29
ALA A  59
 None
 1.27A 2xfsB-1ihjA:
undetectable		 2xfsB-1ihjA:
12.50
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 VAL A  38
ILE A  48
LEU A 250
GLY A 235
ALA A 236
 None
 1.28A 2xfsB-1lrtA:
0.0		 2xfsB-1lrtA:
21.88
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 VAL D 239
ILE D 217
LEU D 204
GLY D 113
ALA D 117
 None
 1.32A 2xfsB-1mhzD:
0.0		 2xfsB-1mhzD:
22.68
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 VAL A  69
ILE A 226
LEU A 260
GLY A 213
ALA A 214
 None
 1.23A 2xfsB-1svvA:
0.0		 2xfsB-1svvA:
24.84
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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 290
ILE A 295
LEU A   5
GLY A 321
ALA A 322
 None
 1.27A 2xfsB-1ub7A:
0.1		 2xfsB-1ub7A:
22.58
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.
2can ORNITHINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00202
(Aminotran_3) 		5 VAL A 238
ILE A 232
LEU A 418
GLY A 273
ALA A 349
 None
 1.12A 2xfsB-2canA:
0.0		 2xfsB-2canA:
23.51
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 VAL A 305
ILE A 344
LEU A 385
GLY A 325
ALA A 328
 None
 1.32A 2xfsB-2dkjA:
0.0		 2xfsB-2dkjA:
24.59
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.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 VAL A 178
ILE A 180
LEU A  40
GLY A 238
ALA A  71
 None
NAP  A1518 (-4.0A)
None
None
None
 1.39A 2xfsB-2ehqA:
undetectable		 2xfsB-2ehqA:
23.60
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.
2g0w LMO2234 PROTEIN

(Listeria
monocytogenes) 		PF01261
(AP_endonuc_2) 		5 HIS A 109
VAL A 244
LEU A 137
GLY A 106
ALA A 102
 None
 1.06A 2xfsB-2g0wA:
undetectable		 2xfsB-2g0wA:
21.38
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.
2ihy ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
aureus) 		PF00005
(ABC_tran) 		5 VAL A 200
ILE A 198
LEU A 157
GLY A  81
ALA A 156
 None
 1.47A 2xfsB-2ihyA:
undetectable		 2xfsB-2ihyA:
21.60
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 VAL A 486
ILE A  93
LEU A 111
GLY A  52
ALA A  51
 None
 1.21A 2xfsB-2jf7A:
undetectable		 2xfsB-2jf7A:
23.20
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 ILE A 257
LEU A 364
ARG A 136
GLY A 135
ALA A 134
 None
 1.49A 2xfsB-2o3iA:
undetectable		 2xfsB-2o3iA:
24.95
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.
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 158
ILE A 150
LEU A 277
ARG A 224
GLY A 225
 VIN  A6331 (-4.7A)
VIN  A6331 (-4.0A)
None
None
None
 1.46A 2xfsB-3dtcA:
undetectable		 2xfsB-3dtcA:
20.79
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 VAL A   3
ILE A  44
LEU A 305
GLY A 288
ALA A 289
 None
 1.14A 2xfsB-3ipcA:
undetectable		 2xfsB-3ipcA:
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.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 VAL A 497
ILE A 496
LEU A 483
GLY A 473
ALA A 476
 None
 1.29A 2xfsB-3owaA:
undetectable		 2xfsB-3owaA:
21.53
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.
3qan 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
1

(Bacillus
halodurans) 		PF00171
(Aldedh) 		5 VAL A 176
ILE A 178
LEU A  39
GLY A 236
ALA A  70
 None
 1.19A 2xfsB-3qanA:
undetectable		 2xfsB-3qanA:
23.94
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.
3rjl 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Bacillus
licheniformis) 		PF00171
(Aldedh) 		5 VAL A 177
ILE A 179
LEU A  40
GLY A 237
ALA A  71
 None
 1.23A 2xfsB-3rjlA:
undetectable		 2xfsB-3rjlA:
22.24
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.
3rpb RABPHILIN 3-A

(Rattus
norvegicus) 		PF00168
(C2) 		5 HIS A 657
VAL A 546
ILE A 627
ARG A 654
GLY A 647
 None
 1.30A 2xfsB-3rpbA:
undetectable		 2xfsB-3rpbA:
13.16
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 VAL A 415
ILE A 430
LEU A 198
GLY A 145
ALA A 147
 None
 1.21A 2xfsB-3uk1A:
undetectable		 2xfsB-3uk1A:
21.96
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 VAL A 135
ILE A 164
LEU A  51
GLY A 279
ALA A 282
 None
 1.39A 2xfsB-3uqeA:
undetectable		 2xfsB-3uqeA:
23.84
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.
4j6f PUTATIVE ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 325
LEU A 181
ARG A 207
GLY A 208
ALA A 209
 None
 1.19A 2xfsB-4j6fA:
undetectable		 2xfsB-4j6fA:
24.59
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 VAL A 130
ILE A 102
LEU A 342
GLY A 161
ALA A 163
 None
 1.45A 2xfsB-4lryA:
undetectable		 2xfsB-4lryA:
23.78
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		5 VAL A 660
LEU A 501
GLY A 707
ALA A 705
LYS A 671
 None
 1.25A 2xfsB-4n75A:
0.7		 2xfsB-4n75A:
19.42
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.
4ppm AMINOTRANSFERASE

(Serratia sp.
FS14) 		PF00202
(Aminotran_3) 		5 VAL A 591
ILE A 585
LEU A 827
GLY A 626
ALA A 707
 None
 1.19A 2xfsB-4ppmA:
undetectable		 2xfsB-4ppmA:
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.
4pxd ALLANTOATE
AMIDOHYDROLASE

(Escherichia
coli) 		PF01546
(Peptidase_M20) 		5 VAL A  75
ILE A 183
LEU A 400
GLY A  79
ALA A 100
 None
 0.96A 2xfsB-4pxdA:
undetectable		 2xfsB-4pxdA:
22.42
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TRP A 264
VAL A 281
ILE A 337
ARG A 268
GLY A 267
 None
 1.43A 2xfsB-4rm7A:
0.0		 2xfsB-4rm7A:
24.24
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.
4xfd NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pseudomonas
aeruginosa) 		PF02540
(NAD_synthase) 		5 VAL A  24
ILE A  28
LEU A  58
GLY A 207
ALA A 208
 None
 1.23A 2xfsB-4xfdA:
undetectable		 2xfsB-4xfdA:
22.72
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.
4zlv ORNITHINE
AMINOTRANSFERASE,
MITOCHONDRIAL,
PUTATIVE

(Toxoplasma
gondii) 		PF00202
(Aminotran_3) 		5 VAL A 232
ILE A 226
LEU A 414
GLY A 267
ALA A 343
 None
 1.12A 2xfsB-4zlvA:
1.4		 2xfsB-4zlvA:
23.41
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.
5fjp O-SUCCINYLBENZOATE
SYNTHASE

(Amycolatopsis
sp.) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TRP A 168
VAL A 188
ILE A 164
LEU A 146
ALA A 175
 None
 1.21A 2xfsB-5fjpA:
undetectable		 2xfsB-5fjpA:
24.27
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 VAL A 246
ILE A 240
LEU A 431
GLY A 281
ALA A 359
 None
 1.12A 2xfsB-5h7dA:
undetectable		 2xfsB-5h7dA:
20.75
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.
5wdi UBIQUITIN-ASSOCIATED
AND SH3
DOMAIN-CONTAINING
PROTEIN A

(Homo sapiens) 		PF00300
(His_Phos_1) 		5 VAL A 582
ILE A 475
LEU A 620
GLY A 465
ALA A 464
 None
 0.99A 2xfsB-5wdiA:
undetectable		 2xfsB-5wdiA:
21.04