SIMILAR PATTERNS OF AMINO ACIDS FOR 4R87_E_SPME202_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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 GLU A 782
GLU A 708
TYR A 778
GLU A 777
 None
 1.13A 4r87E-1c7tA:
0.0		 4r87E-1c7tA:
11.10
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.
1o0w RIBONUCLEASE III

(Thermotoga
maritima) 		PF00035
(dsrm)
PF14622
(Ribonucleas_3_3) 		4 GLU A 147
GLU A 143
TYR A 142
GLU A 150
 None
 1.32A 4r87E-1o0wA:
0.0		 4r87E-1o0wA:
20.91
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		4 GLU A 109
GLU A 108
TYR A 103
GLU A 106
 None
 1.36A 4r87E-1qwrA:
0.0		 4r87E-1qwrA:
21.70
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.
1vhz ADP COMPOUNDS
HYDROLASE NUDE

(Escherichia
coli) 		PF00293
(NUDIX) 		4 GLU A 141
GLU A 143
TYR A  66
GLU A  65
 None
 1.49A 4r87E-1vhzA:
0.1		 4r87E-1vhzA:
21.33
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.
1vqv THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		4 GLU A 173
GLU A 172
GLU A 175
GLU A 178
 None
 1.30A 4r87E-1vqvA:
undetectable		 4r87E-1vqvA:
20.37
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.
1xwe COMPLEMENT C5

(Homo sapiens) 		PF01759
(NTR) 		4 GLU A1519
GLU A1520
TYR A1629
GLU A1628
 None
 1.48A 4r87E-1xweA:
undetectable		 4r87E-1xweA:
22.99
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.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Actinobacillus
succinogenes) 		PF01293
(PEPCK_ATP) 		4 GLU A  35
GLU A  36
GLU A  34
GLU A  30
 None
 1.45A 4r87E-1yggA:
0.0		 4r87E-1yggA:
16.00
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.
1zi7 KES1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 GLU A 350
GLU A 351
GLU A 349
GLU A 345
 None
 1.42A 4r87E-1zi7A:
0.0		 4r87E-1zi7A:
18.88
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.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 GLU A  61
GLU A  63
GLU A 106
GLU A  59
 None
 1.36A 4r87E-2d1yA:
0.6		 4r87E-2d1yA:
21.32
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 389
GLU A 393
TYR A 394
GLU A 361
 None
 0.99A 4r87E-2gl5A:
undetectable		 4r87E-2gl5A:
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLU A 198
GLU A 241
GLU A 202
GLU A 119
 None
 0.86A 4r87E-2gp6A:
undetectable		 4r87E-2gp6A:
17.40
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLU A 305
GLU A 308
TYR A 307
GLU A 306
 None
 1.32A 4r87E-2pa5A:
undetectable		 4r87E-2pa5A:
20.06
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		4 GLU A 164
GLU A 167
TYR A 166
GLU A 165
 None
 1.49A 4r87E-2rjbA:
undetectable		 4r87E-2rjbA:
19.85
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 GLU B 178
GLU B 179
GLU B 177
GLU B 133
 None
 1.25A 4r87E-2wnrB:
undetectable		 4r87E-2wnrB:
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.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		4 GLU A 131
TYR A 129
GLU A 130
GLU A 133
 None
 1.37A 4r87E-2yvxA:
undetectable		 4r87E-2yvxA:
15.79
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.
3fn2 PUTATIVE SENSOR
HISTIDINE KINASE
DOMAIN

([Clostridium]
symbiosum) 		no annotation 4 GLU A 136
GLU A 137
GLU A 135
GLU A 131
 None
 1.20A 4r87E-3fn2A:
undetectable		 4r87E-3fn2A:
22.35
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 4 GLU A 121
GLU A  27
TYR A  28
GLU A 117
 None
None
None
FMT  A 315 (-3.6A)
 1.49A 4r87E-3gjyA:
1.4		 4r87E-3gjyA:
21.17
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.
3h3j L-LACTATE
DEHYDROGENASE 1

(Staphylococcus
aureus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLU A 268
GLU A 264
TYR A 265
GLU A 267
 None
 1.30A 4r87E-3h3jA:
undetectable		 4r87E-3h3jA:
18.61
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.
3mcr NADH DEHYDROGENASE,
SUBUNIT C

(Thermobifida
fusca) 		PF00329
(Complex1_30kDa) 		4 GLU A 147
GLU A 145
TYR A 143
GLU A 150
 None
 1.23A 4r87E-3mcrA:
undetectable		 4r87E-3mcrA:
20.28
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.
3qi7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Clostridioides
difficile) 		PF12683
(DUF3798) 		4 GLU A  65
GLU A  66
TYR A  63
GLU A  64
 None
 1.47A 4r87E-3qi7A:
undetectable		 4r87E-3qi7A:
19.81
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		4 GLU A 141
GLU A 138
GLU A 137
GLU A 134
 None
 1.32A 4r87E-3r89A:
undetectable		 4r87E-3r89A:
23.19
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.
3s6p CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus) 		PF03566
(Peptidase_A21) 		4 GLU A 137
GLU A 136
TYR A 134
GLU A 203
 None
 1.46A 4r87E-3s6pA:
undetectable		 4r87E-3s6pA:
14.91
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.
3w08 ALDOXIME DEHYDRATASE

(Pseudomonas
chlororaphis) 		PF13816
(Dehydratase_hem) 		4 GLU A  21
TYR A  23
GLU A 167
GLU A 168
 None
 1.23A 4r87E-3w08A:
undetectable		 4r87E-3w08A:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		5 GLU A  33
GLU A  34
TYR A  36
GLU A  37
GLU A  41
 SPD  A 201 (-3.9A)
SPD  A 201 (-4.0A)
SPD  A 201 (-4.6A)
None
SPD  A 201 (-3.1A)
 0.63A 4r87E-3wr7A:
28.3		 4r87E-3wr7A:
57.06
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 GLU A 165
TYR A 113
GLU A 169
GLU A 205
 None
None
TRS  A1352 (-2.8A)
None
 1.38A 4r87E-3zizA:
undetectable		 4r87E-3zizA:
16.80
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.
4eku PROTEIN-TYROSINE
KINASE 2-BETA

(Homo sapiens) 		PF00373
(FERM_M) 		4 GLU A 126
GLU A 119
TYR A 118
GLU A 101
 None
 1.49A 4r87E-4ekuA:
undetectable		 4r87E-4ekuA:
18.32
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.
4fvs PUTATIVE LIPOPROTEIN

(Parabacteroides
distasonis) 		no annotation 4 GLU A  67
GLU A  65
TYR A  88
GLU A 119
 None
 0.96A 4r87E-4fvsA:
undetectable		 4r87E-4fvsA:
19.63
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.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		4 GLU A 416
GLU A 362
TYR A 366
GLU A 412
 None
 1.31A 4r87E-4kq8A:
undetectable		 4r87E-4kq8A:
17.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mi4 SPERMIDINE
N1-ACETYLTRANSFERASE

(Vibrio cholerae) 		PF13302
(Acetyltransf_3) 		5 GLU A  33
GLU A  34
TYR A  36
GLU A  37
GLU A  41
 SPM  A 201 (-3.2A)
SPM  A 201 (-4.1A)
SPM  A 201 (-4.7A)
SPM  A 201 (-3.5A)
SPM  A 201 (-2.8A)
 0.71A 4r87E-4mi4A:
29.8		 4r87E-4mi4A:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis) 		PF04998
(RNA_pol_Rpb1_5) 		4 GLU C  30
GLU C  33
TYR C  35
GLU C  41
 None
 1.13A 4r87E-4qiwC:
undetectable		 4r87E-4qiwC:
17.01
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.
4x3n CALCIUM-REGULATED
ACTIN-BUNDLING
PROTEIN

(Dictyostelium
discoideum) 		no annotation 4 GLU A 202
GLU A 201
TYR A 200
GLU A 203
 None
 1.42A 4r87E-4x3nA:
undetectable		 4r87E-4x3nA:
20.88
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 GLU A 467
GLU A 468
TYR A 469
GLU A 466
 None
 1.36A 4r87E-5fwjA:
undetectable		 4r87E-5fwjA:
17.34
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		4 GLU A 487
GLU A 486
GLU A 488
GLU A 492
 None
 1.34A 4r87E-5ijlA:
undetectable		 4r87E-5ijlA:
10.40
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 GLU A 808
GLU A 809
TYR A 812
GLU A 811
 None
 1.49A 4r87E-5isxA:
undetectable		 4r87E-5isxA:
16.12
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 GLU A 125
GLU A 356
GLU A 128
GLU A 131
 None
 1.32A 4r87E-5k8fA:
undetectable		 4r87E-5k8fA:
13.94
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 GLU A 356
GLU A 125
GLU A 131
GLU A 128
 None
 1.33A 4r87E-5k8fA:
undetectable		 4r87E-5k8fA:
13.94
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 GLU B 338
GLU B 342
TYR B 475
GLU B 340
 None
 1.28A 4r87E-5kohB:
undetectable		 4r87E-5kohB:
14.99
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 GLU A 452
GLU A 453
TYR A 454
GLU A 451
 None
 1.49A 4r87E-6ek6A:
undetectable		 4r87E-6ek6A:
19.51
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.
6f62 SYNAPTONEMAL COMPLEX
PROTEIN 1

(Homo sapiens) 		no annotation 4 GLU A 205
GLU A 203
TYR A 200
GLU A 201
 None
 1.30A 4r87E-6f62A:
undetectable		 4r87E-6f62A:
20.23