SIMILAR PATTERNS OF AMINO ACIDS FOR 2C2B_E_SAME500_0

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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 SER A 361
TRP A 342
GLY A 368
SER A 369
PHE A 370
 GOL  A1004 ( 4.1A)
None
None
None
None
 1.32A 2c2bE-1itxA:
0.8
2c2bF-1itxA:
0.8		 2c2bE-1itxA:
22.93
2c2bF-1itxA:
22.93
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 TRP A 342
GLY A 368
SER A 369
PHE A 370
LEU A 398
 None
 1.48A 2c2bE-1itxA:
0.8
2c2bF-1itxA:
0.8		 2c2bE-1itxA:
22.93
2c2bF-1itxA:
22.93
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 GLY A 207
SER A  23
PHE A 205
ASN A 198
ASP A 108
 None
None
None
None
ZN  A 251 ( 2.7A)
 0.75A 2c2bE-2a7mA:
0.0
2c2bF-2a7mA:
0.0		 2c2bE-2a7mA:
19.92
2c2bF-2a7mA:
19.92
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		5 SER L 237
TRP L 308
GLY L 356
PHE L 354
LEU L 193
 None
 1.38A 2c2bE-2bfuL:
0.0
2c2bF-2bfuL:
undetectable		 2c2bE-2bfuL:
21.58
2c2bF-2bfuL:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 SER A  99
TRP A 101
GLY A 104
SER A 105
SER A 125
 None
 0.49A 2c2bE-2c2gA:
60.2
2c2bF-2c2gA:
56.4		 2c2bE-2c2gA:
100.00
2c2bF-2c2gA:
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.
2dck XYLANASE J

(Bacillus sp.
41M-1) 		PF00457
(Glyco_hydro_11)
PF03422
(CBM_6) 		5 GLY A  25
SER A  26
PHE A  47
LEU A  46
ASP A  20
 None
 1.21A 2c2bE-2dckA:
0.0
2c2bF-2dckA:
0.0		 2c2bE-2dckA:
22.33
2c2bF-2dckA:
22.33
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 142
SER A 143
PHE A 641
GLN A 324
ASP A 319
 None
 1.39A 2c2bE-2f3oA:
1.2
2c2bF-2f3oA:
0.0		 2c2bE-2f3oA:
21.37
2c2bF-2f3oA:
21.37
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.
2x1f MRNA
3'-END-PROCESSING
PROTEIN RNA15

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 GLY A  42
SER A  71
PHE A  66
LEU A  47
ASP A  36
 None
 1.50A 2c2bE-2x1fA:
undetectable
2c2bF-2x1fA:
undetectable		 2c2bE-2x1fA:
10.25
2c2bF-2x1fA:
10.25
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 SER A   9
GLY A  12
SER A  13
LEU A  86
ASP A  37
 None
MG  A 703 ( 3.9A)
MG  A 703 (-4.1A)
None
None
 1.45A 2c2bE-2ywrA:
0.7
2c2bF-2ywrA:
4.0		 2c2bE-2ywrA:
18.40
2c2bF-2ywrA:
18.40
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 SER A 263
GLY A 261
SER A 260
LEU A 366
ASP A 346
 SAH  A 900 (-4.2A)
None
None
None
SAH  A 900 (-3.6A)
 0.99A 2c2bE-2zfuA:
0.7
2c2bF-2zfuA:
0.5		 2c2bE-2zfuA:
18.84
2c2bF-2zfuA:
18.84
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.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		5 SER A 213
TRP A 209
SER A 204
TRP A 252
GLN A 199
 None
 1.40A 2c2bE-3by9A:
undetectable
2c2bF-3by9A:
undetectable		 2c2bE-3by9A:
18.85
2c2bF-3by9A:
18.85
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.
3fd3 CHROMOSOME
REPLICATION
INITIATION INHIBITOR
PROTEIN

(Agrobacterium
fabrum) 		PF03466
(LysR_substrate) 		5 SER A 244
PHE A 248
ASN A 261
LEU A 260
GLN A 223
 None
CA  A   1 (-3.7A)
None
None
None
 1.42A 2c2bE-3fd3A:
undetectable
2c2bF-3fd3A:
undetectable		 2c2bE-3fd3A:
18.55
2c2bF-3fd3A:
18.55
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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus) 		no annotation 5 SER A 650
GLY A 648
SER A 646
LEU A 692
GLN A 651
 None
 1.38A 2c2bE-3j3iA:
undetectable
2c2bF-3j3iA:
undetectable		 2c2bE-3j3iA:
21.29
2c2bF-3j3iA:
21.29
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.
3ls2 S-FORMYLGLUTATHIONE
HYDROLASE

(Pseudoalteromonas
haloplanktis) 		PF00756
(Esterase) 		5 SER A 171
GLY A 150
SER A 202
LEU A 250
ASP A 225
 None
 1.12A 2c2bE-3ls2A:
undetectable
2c2bF-3ls2A:
1.2		 2c2bE-3ls2A:
19.38
2c2bF-3ls2A:
19.38
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.
3qyy RESPONSE REGULATOR

(Xanthomonas
campestris) 		PF00990
(GGDEF) 		5 SER A 253
GLY A 255
SER A 256
ASN A 234
ASP A 175
 None
 0.98A 2c2bE-3qyyA:
undetectable
2c2bF-3qyyA:
undetectable		 2c2bE-3qyyA:
16.52
2c2bF-3qyyA:
16.52
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 SER A 176
GLY A  56
SER A  58
LEU A 200
TRP A  74
 None
 1.21A 2c2bE-3rh9A:
undetectable
2c2bF-3rh9A:
undetectable		 2c2bE-3rh9A:
23.47
2c2bF-3rh9A:
23.47
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.
3zvk TOXIN OF
TOXIN-ANTITOXIN
SYSTEM
ANTITOXIN OF
TOXIN-ANTITOXIN
SYSTEM VAPB

(Rickettsia
felis;
Rickettsia
felis) 		PF01850
(PIN)
PF04014
(MazE_antitoxin) 		5 SER A  59
SER A  66
SER E  29
LEU E  33
GLN A  58
 None
 1.39A 2c2bE-3zvkA:
undetectable
2c2bF-3zvkA:
3.1		 2c2bE-3zvkA:
12.88
2c2bF-3zvkA:
12.88
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 160
SER A 161
SER A 195
ASN A  50
GLN A  83
 None
LLP  A  51 ( 3.4A)
LLP  A  51 ( 2.4A)
LLP  A  51 ( 3.1A)
LLP  A  51 ( 3.5A)
 1.22A 2c2bE-4d8uA:
23.3
2c2bF-4d8uA:
24.8		 2c2bE-4d8uA:
20.90
2c2bF-4d8uA:
20.90
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.
4ds3 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Brucella
melitensis) 		PF00551
(Formyl_trans_N) 		5 SER A  11
GLY A  14
SER A  15
LEU A  88
ASP A  39
 None
GOL  A 305 (-3.7A)
GOL  A 305 (-4.7A)
None
None
 1.42A 2c2bE-4ds3A:
undetectable
2c2bF-4ds3A:
2.7		 2c2bE-4ds3A:
18.05
2c2bF-4ds3A:
18.05
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.
4ixl XYLANASE

(Bacillus sp.
(in: Bacteria)) 		PF00457
(Glyco_hydro_11) 		5 GLY A  25
SER A  26
PHE A  47
LEU A  46
ASP A  20
 None
 1.21A 2c2bE-4ixlA:
undetectable
2c2bF-4ixlA:
undetectable		 2c2bE-4ixlA:
17.54
2c2bF-4ixlA:
17.54
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 SER A 211
GLY A 209
SER A 208
ASN A 239
ASP A 213
 None
None
None
IOD  A 725 (-4.1A)
None
 0.98A 2c2bE-4kcaA:
undetectable
2c2bF-4kcaA:
undetectable		 2c2bE-4kcaA:
20.45
2c2bF-4kcaA:
20.45
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.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 SER B  71
GLY B 148
SER B 150
SER B 177
TRP B  26
 None
 1.34A 2c2bE-4nfuB:
undetectable
2c2bF-4nfuB:
undetectable		 2c2bE-4nfuB:
21.03
2c2bF-4nfuB:
21.03
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.
4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Sulfurospirillum
deleyianum) 		PF03480
(DctP) 		5 GLY A 233
SER A  88
SER A  90
PHE A  89
LEU A 101
 None
SIN  A 401 ( 3.5A)
None
None
None
 1.42A 2c2bE-4ovsA:
undetectable
2c2bF-4ovsA:
2.3		 2c2bE-4ovsA:
20.92
2c2bF-4ovsA:
20.92
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 SER A 114
PHE A 116
LEU A 118
GLN A 115
ASP A 393
 None
 1.46A 2c2bE-4p22A:
undetectable
2c2bF-4p22A:
undetectable		 2c2bE-4p22A:
23.05
2c2bF-4p22A:
23.05
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 5 SER A 123
GLY A 121
SER A 120
PHE A 119
LEU A 126
 None
 1.24A 2c2bE-4ubqA:
undetectable
2c2bF-4ubqA:
undetectable		 2c2bE-4ubqA:
17.52
2c2bF-4ubqA:
17.52
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 249
SER A 251
SER A 245
LEU A 222
ASP A  78
 None
 1.12A 2c2bE-4wwhA:
undetectable
2c2bF-4wwhA:
1.7		 2c2bE-4wwhA:
22.71
2c2bF-4wwhA:
22.71
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A2696
GLY A2348
SER A2347
LEU A2693
GLN A2716
 None
 0.93A 2c2bE-4z37A:
undetectable
2c2bF-4z37A:
1.6		 2c2bE-4z37A:
22.12
2c2bF-4z37A:
22.12
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.
6f2t -

(-) 		no annotation 5 SER A 380
GLY A 480
SER A 332
SER A 336
GLN A 466
 None
 1.50A 2c2bE-6f2tA:
undetectable
2c2bF-6f2tA:
undetectable		 2c2bE-6f2tA:
undetectable
2c2bF-6f2tA:
undetectable