SIMILAR PATTERNS OF AMINO ACIDS FOR 3M0W_I_P77I203_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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 LEU A  54
SER A  27
PHE A  31
ILE A  39
ASP A  20
 None
 1.42A 3m0wA-1gveA:
undetectable
3m0wB-1gveA:
undetectable
3m0wI-1gveA:
undetectable
3m0wJ-1gveA:
undetectable		 3m0wA-1gveA:
16.94
3m0wB-1gveA:
16.94
3m0wI-1gveA:
16.94
3m0wJ-1gveA:
16.94
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		5 LEU A 259
ILE A 280
CYH A 263
SER A  16
PHE A  64
 None
 1.24A 3m0wA-1luaA:
undetectable
3m0wB-1luaA:
undetectable
3m0wI-1luaA:
undetectable
3m0wJ-1luaA:
undetectable		 3m0wA-1luaA:
15.25
3m0wB-1luaA:
15.25
3m0wI-1luaA:
15.25
3m0wJ-1luaA:
15.25
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.
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 LEU A 151
SER A 154
PHE A 156
ILE A 331
SER A 186
 None
 1.14A 3m0wA-2c4kA:
undetectable
3m0wB-2c4kA:
undetectable
3m0wI-2c4kA:
undetectable
3m0wJ-2c4kA:
undetectable		 3m0wA-2c4kA:
14.01
3m0wB-2c4kA:
14.01
3m0wI-2c4kA:
14.01
3m0wJ-2c4kA:
14.01
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.
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 LEU A 163
SER A 166
PHE A 168
ILE A 344
SER A 198
 None
CL  A1369 (-3.8A)
None
None
None
 1.15A 3m0wA-2ji4A:
undetectable
3m0wB-2ji4A:
undetectable
3m0wI-2ji4A:
undetectable
3m0wJ-2ji4A:
undetectable		 3m0wA-2ji4A:
15.34
3m0wB-2ji4A:
15.34
3m0wI-2ji4A:
15.34
3m0wJ-2ji4A:
15.34
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.
3apq DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin)
PF00226
(DnaJ) 		5 LEU A 148
PHE A 228
ILE A 206
ASP A 176
PHE A 171
 None
 1.48A 3m0wA-3apqA:
undetectable
3m0wB-3apqA:
undetectable
3m0wI-3apqA:
undetectable
3m0wJ-3apqA:
undetectable		 3m0wA-3apqA:
19.76
3m0wB-3apqA:
19.76
3m0wI-3apqA:
19.76
3m0wJ-3apqA:
19.76
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.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 LEU A 154
ASP A 155
ASP A 100
SER A 128
PHE A 218
 None
NI  A 231 (-4.2A)
None
None
None
 1.46A 3m0wA-3cc8A:
undetectable
3m0wB-3cc8A:
undetectable
3m0wI-3cc8A:
undetectable
3m0wJ-3cc8A:
undetectable		 3m0wA-3cc8A:
19.02
3m0wB-3cc8A:
19.02
3m0wI-3cc8A:
19.02
3m0wJ-3cc8A:
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.12A 3m0wA-3eafA:
undetectable
3m0wB-3eafA:
undetectable
3m0wI-3eafA:
undetectable
3m0wJ-3eafA:
undetectable		 3m0wA-3eafA:
12.08
3m0wB-3eafA:
12.08
3m0wI-3eafA:
12.08
3m0wJ-3eafA:
12.08
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.
3fdb PUTATIVE
PLP-DEPENDENT
BETA-CYSTATHIONASE

(Corynebacterium
diphtheriae) 		PF00155
(Aminotran_1_2) 		5 LEU A 186
ASP A 188
PHE A 100
ILE A 215
ASP A  88
 None
LLP  A 222 ( 2.7A)
None
None
CL  A 381 ( 3.0A)
 1.43A 3m0wA-3fdbA:
0.2
3m0wB-3fdbA:
undetectable
3m0wI-3fdbA:
undetectable
3m0wJ-3fdbA:
undetectable		 3m0wA-3fdbA:
14.55
3m0wB-3fdbA:
14.55
3m0wI-3fdbA:
14.55
3m0wJ-3fdbA:
14.55
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		5 LEU A 182
ASP A 183
SER A 163
ILE A 169
SER A 289
 None
 1.28A 3m0wA-3hdoA:
undetectable
3m0wB-3hdoA:
undetectable
3m0wI-3hdoA:
undetectable
3m0wJ-3hdoA:
undetectable		 3m0wA-3hdoA:
14.33
3m0wB-3hdoA:
14.33
3m0wI-3hdoA:
14.33
3m0wJ-3hdoA:
14.33
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		5 LEU A  79
SER A 108
ILE A  70
PHE A  10
SER A  97
 None
 1.46A 3m0wA-3mcuA:
undetectable
3m0wB-3mcuA:
undetectable
3m0wI-3mcuA:
undetectable
3m0wJ-3mcuA:
undetectable		 3m0wA-3mcuA:
22.68
3m0wB-3mcuA:
22.68
3m0wI-3mcuA:
22.68
3m0wJ-3mcuA:
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE

(Klebsiella
pneumoniae) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A 384
ASP A 383
PHE A 211
ILE A 229
SER A 317
 None
 1.44A 3m0wA-3plrA:
undetectable
3m0wB-3plrA:
undetectable
3m0wI-3plrA:
undetectable
3m0wJ-3plrA:
undetectable		 3m0wA-3plrA:
15.32
3m0wB-3plrA:
15.32
3m0wI-3plrA:
15.32
3m0wJ-3plrA:
15.32
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 107
ASP A 111
SER A 310
PHE A 311
ILE A 276
 None
 1.11A 3m0wA-3r11A:
undetectable
3m0wB-3r11A:
undetectable
3m0wI-3r11A:
undetectable
3m0wJ-3r11A:
undetectable		 3m0wA-3r11A:
12.14
3m0wB-3r11A:
12.14
3m0wI-3r11A:
12.14
3m0wJ-3r11A:
12.14
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.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		5 LEU A 366
PHE A 321
ILE A 335
CYH A 368
SER A 356
 None
 1.38A 3m0wA-3sy8A:
undetectable
3m0wB-3sy8A:
undetectable
3m0wI-3sy8A:
undetectable
3m0wJ-3sy8A:
undetectable		 3m0wA-3sy8A:
15.66
3m0wB-3sy8A:
15.66
3m0wI-3sy8A:
15.66
3m0wJ-3sy8A:
15.66
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.
3t5o COMPLEMENT COMPONENT
C6

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00084
(Sushi)
PF00090
(TSP_1)
PF01823
(MACPF) 		5 LEU A 229
ASP A 228
ILE A 295
ASP A 463
SER A 266
 None
 1.45A 3m0wA-3t5oA:
undetectable
3m0wB-3t5oA:
undetectable
3m0wI-3t5oA:
undetectable
3m0wJ-3t5oA:
undetectable		 3m0wA-3t5oA:
8.29
3m0wB-3t5oA:
8.29
3m0wI-3t5oA:
8.29
3m0wJ-3t5oA:
8.29
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 188
ILE A 236
CYH A 172
SER A 260
PHE A 291
 None
 1.40A 3m0wA-3upyA:
undetectable
3m0wB-3upyA:
undetectable
3m0wI-3upyA:
undetectable
3m0wJ-3upyA:
undetectable		 3m0wA-3upyA:
12.75
3m0wB-3upyA:
12.75
3m0wI-3upyA:
12.75
3m0wJ-3upyA:
12.75
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.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 LEU A  91
SER A  85
PHE A  84
SER A 103
PHE A  11
 None
None
None
CA  A 403 ( 4.6A)
None
 1.49A 3m0wA-4f4wA:
undetectable
3m0wB-4f4wA:
undetectable
3m0wI-4f4wA:
undetectable
3m0wJ-4f4wA:
undetectable		 3m0wA-4f4wA:
16.41
3m0wB-4f4wA:
16.41
3m0wI-4f4wA:
16.41
3m0wJ-4f4wA:
16.41
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.
4hyk DNA POLYMERASE IV

(Sulfolobus
acidocaldarius) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 LEU A  91
SER A  85
PHE A  84
SER A 103
PHE A  11
 None
 1.42A 3m0wA-4hykA:
undetectable
3m0wB-4hykA:
undetectable
3m0wI-4hykA:
undetectable
3m0wJ-4hykA:
1.5		 3m0wA-4hykA:
15.92
3m0wB-4hykA:
15.92
3m0wI-4hykA:
15.92
3m0wJ-4hykA:
15.92
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.
4kr9 PROBABLE TRNA
SULFURTRANSFERASE

(Thermotoga
maritima) 		PF02568
(ThiI)
PF02926
(THUMP) 		5 LEU A  61
ASP A  58
ILE A  67
CYH A 165
ASP A 161
 None
 1.46A 3m0wA-4kr9A:
undetectable
3m0wB-4kr9A:
undetectable
3m0wI-4kr9A:
undetectable
3m0wJ-4kr9A:
undetectable		 3m0wA-4kr9A:
12.24
3m0wB-4kr9A:
12.24
3m0wI-4kr9A:
12.24
3m0wJ-4kr9A:
12.24
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.
4ole NEXT TO BRCA1 GENE 1
PROTEIN

(Homo sapiens) 		PF16158
(N_BRCA1_IG) 		5 LEU A 380
ILE A 476
CYH A 474
ASP A 428
SER A 423
 None
 1.47A 3m0wA-4oleA:
undetectable
3m0wB-4oleA:
undetectable
3m0wI-4oleA:
undetectable
3m0wJ-4oleA:
undetectable		 3m0wA-4oleA:
18.80
3m0wB-4oleA:
18.80
3m0wI-4oleA:
18.80
3m0wJ-4oleA:
18.80
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 LEU A 203
ILE A 199
PHE A 140
ASP A 213
PHE A 216
 None
 1.45A 3m0wA-4s3jA:
undetectable
3m0wB-4s3jA:
undetectable
3m0wI-4s3jA:
undetectable
3m0wJ-4s3jA:
undetectable		 3m0wA-4s3jA:
13.75
3m0wB-4s3jA:
13.75
3m0wI-4s3jA:
13.75
3m0wJ-4s3jA:
13.75
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 SER A 368
ILE A 413
ASP A 346
SER A 363
PHE A 420
 None
 1.21A 3m0wA-4u3tA:
undetectable
3m0wB-4u3tA:
undetectable
3m0wI-4u3tA:
undetectable
3m0wJ-4u3tA:
undetectable		 3m0wA-4u3tA:
15.96
3m0wB-4u3tA:
15.96
3m0wI-4u3tA:
15.96
3m0wJ-4u3tA:
15.96
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.
4u5a SPOROZOITE MICRONEME
PROTEIN ESSENTIAL
FOR CELL TRAVERSAL

(Plasmodium
berghei) 		no annotation 5 LEU A  57
ASP A  60
PHE A 115
ILE A 138
CYH A 142
 None
 1.23A 3m0wA-4u5aA:
1.7
3m0wB-4u5aA:
1.9
3m0wI-4u5aA:
1.8
3m0wJ-4u5aA:
1.9		 3m0wA-4u5aA:
19.80
3m0wB-4u5aA:
19.80
3m0wI-4u5aA:
19.80
3m0wJ-4u5aA:
19.80
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A1063
SER A 722
ILE A 730
CYH A 743
ASP A 747
 None
 1.33A 3m0wA-5a0zA:
undetectable
3m0wB-5a0zA:
undetectable
3m0wI-5a0zA:
undetectable
3m0wJ-5a0zA:
undetectable		 3m0wA-5a0zA:
8.98
3m0wB-5a0zA:
8.98
3m0wI-5a0zA:
8.98
3m0wJ-5a0zA:
8.98
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 LEU B 276
ASP B 275
SER B 296
ILE B 305
SER B 170
 None
None
None
None
TCR  B 609 (-2.8A)
 1.33A 3m0wA-5fbhB:
undetectable
3m0wB-5fbhB:
undetectable
3m0wI-5fbhB:
undetectable
3m0wJ-5fbhB:
undetectable		 3m0wA-5fbhB:
9.68
3m0wB-5fbhB:
9.68
3m0wI-5fbhB:
9.68
3m0wJ-5fbhB:
9.68
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU B 134
ASP B 135
ILE B 125
SER B 187
PHE B 141
 None
NAG  B 702 (-4.1A)
None
None
None
 1.44A 3m0wA-5gqrB:
undetectable
3m0wB-5gqrB:
undetectable
3m0wI-5gqrB:
undetectable
3m0wJ-5gqrB:
undetectable		 3m0wA-5gqrB:
9.56
3m0wB-5gqrB:
9.56
3m0wI-5gqrB:
9.56
3m0wJ-5gqrB:
9.56
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 368
ILE A 413
ASP A 346
SER A 363
PHE A 420
 None
 1.22A 3m0wA-5kshA:
undetectable
3m0wB-5kshA:
undetectable
3m0wI-5kshA:
undetectable
3m0wJ-5kshA:
undetectable		 3m0wA-5kshA:
11.32
3m0wB-5kshA:
11.32
3m0wI-5kshA:
11.32
3m0wJ-5kshA:
11.32
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.
5w4x UDP-GLUCOSE
6-DEHYDROGENASE

(Homo sapiens) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A 357
ASP A 359
SER A 316
PHE A 314
ILE A 353
 None
 1.43A 3m0wA-5w4xA:
undetectable
3m0wB-5w4xA:
undetectable
3m0wI-5w4xA:
undetectable
3m0wJ-5w4xA:
undetectable		 3m0wA-5w4xA:
12.33
3m0wB-5w4xA:
12.33
3m0wI-5w4xA:
12.33
3m0wJ-5w4xA:
12.33
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.
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5

(Homo sapiens) 		PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		5 LEU B 111
ASP B 109
SER B 145
ILE B 150
ASP B  72
 None
 1.13A 3m0wA-5y3rB:
undetectable
3m0wB-5y3rB:
undetectable
3m0wI-5y3rB:
undetectable
3m0wJ-5y3rB:
undetectable		 3m0wA-5y3rB:
11.45
3m0wB-5y3rB:
11.45
3m0wI-5y3rB:
11.45
3m0wJ-5y3rB:
11.45
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.
5yf0 -

(-) 		no annotation 5 LEU A 253
SER A 237
PHE A 240
ILE A 122
SER A 231
 None
None
None
None
SAM  A 505 (-4.4A)
 1.23A 3m0wA-5yf0A:
undetectable
3m0wB-5yf0A:
undetectable
3m0wI-5yf0A:
undetectable
3m0wJ-5yf0A:
undetectable		 3m0wA-5yf0A:
undetectable
3m0wB-5yf0A:
undetectable
3m0wI-5yf0A:
undetectable
3m0wJ-5yf0A:
undetectable