SIMILAR PATTERNS OF AMINO ACIDS FOR 2C12_D_SPMD1434_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.
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 2c12D-1ddbA:
0.0		 2c12D-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
 1.46A 2c12D-1p90A:
0.0		 2c12D-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
 1.47A 2c12D-1qaxA:
0.0		 2c12D-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) 		5 VAL A  15
ALA A  16
MET A  18
LEU A  98
VAL A  99
 None
 1.25A 2c12D-1sg4A:
undetectable		 2c12D-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.
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
 1.16A 2c12D-2h1yA:
2.1		 2c12D-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
 1.34A 2c12D-2hhiA:
0.0		 2c12D-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.
2l9f CALE8

(Micromonospora
echinospora) 		no annotation 5 VAL A  55
ALA A  59
MET A  62
LEU A  22
VAL A  23
 None
 1.41A 2c12D-2l9fA:
undetectable		 2c12D-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.
3b97 ALPHA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLN A 313
MET A 367
VAL A 289
LEU A 170
VAL A 239
 None
 1.45A 2c12D-3b97A:
0.0		 2c12D-3b97A:
22.49
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
 1.45A 2c12D-3c7mA:
0.0		 2c12D-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) 		9 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
 None
 0.29A 2c12D-3fcjA:
68.3		 2c12D-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.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP

(Vibrio cholerae) 		PF01554
(MatE) 		5 ALA A 436
MET A 439
SER A 397
LEU A 401
VAL A 400
 None
 1.37A 2c12D-3mktA:
2.3		 2c12D-3mktA:
25.19
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 GLN A 237
VAL A 277
ALA A 276
SER A 321
VAL A 325
 None
SO4  A 702 ( 4.1A)
None
None
None
 1.35A 2c12D-3nzpA:
2.3		 2c12D-3nzpA:
19.62
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.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 GLN A 120
VAL A 118
ALA A  38
SER A  41
ASP A  82
 GDP  A 401 (-4.1A)
None
GDP  A 401 (-4.0A)
MG  A 402 ( 2.2A)
MG  A 402 ( 4.0A)
 1.44A 2c12D-3v70A:
undetectable		 2c12D-3v70A:
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.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		5 GLU A  36
VAL A  35
ALA A  33
SER A  39
ASP A 233
 None
 1.33A 2c12D-4axvA:
undetectable		 2c12D-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.
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)
 1.00A 2c12D-4jlvA:
undetectable		 2c12D-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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		5 VAL A 515
SER A 651
LEU A 535
VAL A 534
ASP A 688
 None
 1.35A 2c12D-4ojzA:
1.9		 2c12D-4ojzA:
20.84
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.
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
 1.35A 2c12D-4pxqA:
1.7		 2c12D-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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 GLU A 189
VAL A 348
ALA A 345
MET A 341
SER A 401
 None
 1.34A 2c12D-4r0cA:
1.4		 2c12D-4r0cA:
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.
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
 1.41A 2c12D-5swvC:
undetectable		 2c12D-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.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA

(Escherichia
coli) 		no annotation 5 VAL A 323
ALA A 324
SER A 358
LEU A 361
VAL A 359
 None
 1.42A 2c12D-6cc4A:
1.7		 2c12D-6cc4A:
11.50