SIMILAR PATTERNS OF AMINO ACIDS FOR 2C12_B_SPMB1433

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.
1ddb PROTEIN (BID)

(Mus musculus) 		PF06393
(BID) 		5 GLU A  34
VAL A 170
ALA A 160
LEU A  25
VAL A  21
 None
 1.49A 2c12B-1ddbA:
0.0		 2c12B-1ddbA:
17.66
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.
1p90 HYPOTHETICAL PROTEIN

(Azotobacter
vinelandii) 		PF02579
(Nitro_FeMo-Co) 		5 GLN A 199
GLU A 116
ALA A 198
LEU A 140
VAL A 141
 None
 1.47A 2c12B-1p90A:
0.0		 2c12B-1p90A:
15.26
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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		5 GLN A 364
VAL A  87
ALA A  90
SER A  66
VAL A  64
 HMG  A1002 (-4.2A)
None
None
HMG  A1002 ( 4.9A)
None
 1.40A 2c12B-1qaxA:
0.0		 2c12B-1qaxA:
22.40
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.
1sg4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00378
(ECH_1) 		6 VAL A  15
ALA A  16
MET A  18
LEU A  98
VAL A  99
MET A 202
 None
 1.39A 2c12B-1sg4A:
undetectable		 2c12B-1sg4A:
21.87
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		5 VAL A 154
ALA A 130
SER A 140
VAL A 139
MET A 171
 None
 1.46A 2c12B-1x1qA:
0.0		 2c12B-1x1qA:
23.09
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.
1y1l ARSENATE REDUCTASE
(ARSC)

(Archaeoglobus
fulgidus) 		PF01451
(LMWPc) 		5 VAL A 110
LEU A  47
VAL A  44
MET A  15
ASP A  41
 None
 1.42A 2c12B-1y1lA:
0.0		 2c12B-1y1lA:
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.
2fel 3-CARBOXY-CIS,CIS-MU
CONATE LACTONIZING
ENZYME

(Agrobacterium
tumefaciens) 		PF00206
(Lyase_1) 		5 VAL A  94
ALA A  93
SER A  63
LEU A  62
VAL A  59
 None
 1.36A 2c12B-2felA:
1.3		 2c12B-2felA:
24.18
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 GLU A  95
ALA A 229
SER A 245
LEU A 244
VAL A 241
 None
 1.14A 2c12B-2h1yA:
2.2		 2c12B-2h1yA:
21.97
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.
2hhi IMMUNOGENIC PROTEIN
MPT64

(Mycobacterium
tuberculosis) 		PF11738
(DUF3298) 		5 VAL A  90
ALA A 109
SER A  43
LEU A  44
ASP A  40
 None
 1.33A 2c12B-2hhiA:
0.0		 2c12B-2hhiA:
17.50
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		5 MET A 324
ALA A 317
SER A  26
LEU A  25
VAL A  22
 None
 1.18A 2c12B-2hi1A:
undetectable		 2c12B-2hi1A:
22.44
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.
2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF09281
(Taq-exonuc) 		5 GLU A 363
SER A 357
LEU A 359
VAL A 358
MET A 317
 None
 1.47A 2c12B-2ktqA:
1.8		 2c12B-2ktqA:
21.79
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.
2l9f CALE8

(Micromonospora
echinospora) 		no annotation 5 VAL A  55
ALA A  59
MET A  62
LEU A  22
VAL A  23
 None
 1.42A 2c12B-2l9fA:
undetectable		 2c12B-2l9fA:
11.85
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.
2mzw ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 GLN A 431
ALA A 439
LEU A 461
VAL A 462
MET A 465
 None
 1.21A 2c12B-2mzwA:
undetectable		 2c12B-2mzwA:
22.94
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.
2ocz 3-DEHYDROQUINATE
DEHYDRATASE

(Streptococcus
pyogenes) 		PF01487
(DHquinase_I) 		5 GLN A 171
VAL A 141
MET A 134
SER A 116
ASP A  94
 None
 1.49A 2c12B-2oczA:
undetectable		 2c12B-2oczA:
18.75
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.
2oii EMILIN-1

(Homo sapiens) 		PF00386
(C1q) 		5 MET A 968
ALA A 910
SER A 913
LEU A 912
VAL A 962
 None
 1.47A 2c12B-2oiiA:
undetectable		 2c12B-2oiiA:
16.59
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.
2p5i BH3822 PROTEIN

(Bacillus
halodurans) 		PF03099
(BPL_LplA_LipB) 		5 MET A 132
SER A 107
LEU A 108
VAL A 109
ASP A  36
 None
 1.49A 2c12B-2p5iA:
undetectable		 2c12B-2p5iA:
22.02
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.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		5 GLN A 161
MET A   8
VAL A 163
ALA A 165
SER A 154
 None
 1.38A 2c12B-3c7mA:
undetectable		 2c12B-3c7mA:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		10 GLN A  61
MET A  70
GLU A  76
VAL A  95
ALA A  98
MET A 102
SER A 276
LEU A 279
VAL A 280
MET A 283
 None
 0.31A 2c12B-3fcjA:
68.0		 2c12B-3fcjA:
99.77
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLN B 991
ALA B 676
SER B 421
LEU B 420
ASP B 415
 None
 1.47A 2c12B-3hkzB:
undetectable		 2c12B-3hkzB:
17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 273
LEU A 276
VAL A 277
MET A 280
ASP A 399
 None
 0.64A 2c12B-3mkhA:
56.8		 2c12B-3mkhA:
44.02
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.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		5 GLU A  36
VAL A  35
ALA A  33
SER A  39
ASP A 233
 None
 1.34A 2c12B-4axvA:
undetectable		 2c12B-4axvA:
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.
4ffl PYLC

(Methanosarcina
barkeri) 		PF02655
(ATP-grasp_3) 		5 MET A  25
VAL A  67
ALA A  66
LEU A   6
VAL A   7
 None
 1.50A 2c12B-4fflA:
undetectable		 2c12B-4fflA:
22.22
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.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1

(Staphylococcus
aureus) 		PF13614
(AAA_31) 		5 VAL A1180
ALA A1053
SER A1056
VAL A1059
ASP A1157
 None
ADP  A1301 (-3.9A)
MG  A1302 ( 2.6A)
None
MG  A1302 ( 4.7A)
 1.01A 2c12B-4jlvA:
undetectable		 2c12B-4jlvA:
21.09
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		5 GLN A 384
ALA A 441
SER A 420
LEU A 422
VAL A 423
 None
 1.33A 2c12B-4pxqA:
undetectable		 2c12B-4pxqA:
23.24
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 VAL A 575
ALA A 469
SER A 464
VAL A 462
MET A 525
 None
 1.38A 2c12B-4tweA:
1.2		 2c12B-4tweA:
20.80
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.
5j6c PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 GLU A  50
VAL A 142
SER A 147
VAL A 148
ASP A 133
 None
 1.31A 2c12B-5j6cA:
undetectable		 2c12B-5j6cA:
17.94
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Schizosaccharomyces
pombe) 		PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N) 		5 MET C1236
VAL C1209
ALA C1207
SER C1180
ASP C1155
 None
 1.44A 2c12B-5swvC:
undetectable		 2c12B-5swvC:
22.90
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 VAL A1219
ALA A1175
SER A1194
LEU A1195
ASP A1192
 None
 1.36A 2c12B-5wblA:
undetectable		 2c12B-5wblA:
11.25
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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		5 GLN A 261
MET A 264
GLU A1342
SER A1355
LEU A1354
 None
 1.42A 2c12B-5xsyA:
2.9		 2c12B-5xsyA:
12.64