SIMILAR PATTERNS OF AMINO ACIDS FOR 3BUR_A_TESA339

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.
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 ILE A 217
THR A 227
ASN A 148
VAL A 146
VAL A 266
 None
 1.18A 3burA-1bf5A:
undetectable		 3burA-1bf5A:
19.41
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.
1bxn PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN)

(Cupriavidus
necator) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 TYR A 242
ILE A 292
THR A 177
VAL A 192
VAL A 224
 None
 1.50A 3burA-1bxnA:
11.5		 3burA-1bxnA:
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ILE A  32
THR A 160
ASN A 156
VAL A 147
VAL A 109
 None
 1.38A 3burA-1e3dA:
0.5		 3burA-1e3dA:
20.99
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 ILE A 295
ASN A 316
TRP A 315
VAL A 314
VAL A 313
 None
ADP  A 396 (-3.2A)
None
None
None
 1.24A 3burA-1phpA:
0.8		 3burA-1phpA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TRP A  86
TRP A 227
VAL A 228
VAL A 306
 None
 1.06A 3burA-1q5mA:
50.9		 3burA-1q5mA:
59.76
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ILE A  70
TRP A  67
SER A 217
ASN A 216
VAL A 148
 None
 1.45A 3burA-1vbgA:
9.9		 3burA-1vbgA:
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.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 TRP A 281
TYR A 193
THR A 268
VAL A 210
VAL A 219
 None
None
None
CA  A1004 (-4.9A)
MG  A1102 (-4.7A)
 1.22A 3burA-1vclA:
undetectable		 3burA-1vclA:
22.04
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 ILE A 296
ASN A 317
TRP A 316
VAL A 315
VAL A 314
 None
ANP  A 400 (-3.1A)
None
None
None
 1.35A 3burA-1vpeA:
undetectable		 3burA-1vpeA:
20.67
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.
2d2i GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Synechococcus
sp.) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A  67
SER A  98
ASN A   8
VAL A  95
VAL A   5
 None
None
NAP  A1341 ( 4.3A)
None
None
 1.45A 3burA-2d2iA:
undetectable		 3burA-2d2iA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TRP A  86
THR A 221
TRP A 227
VAL A 228
VAL A 306
 None
None
NAP  A1001 (-4.7A)
None
None
None
 0.84A 3burA-2fvlA:
51.1		 3burA-2fvlA:
56.13
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 THR A  21
SER A  23
TRP A  29
VAL A  26
VAL A  30
 None
 1.45A 3burA-2imhA:
undetectable		 3burA-2imhA:
21.49
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.
2mt9 FLAVODOXIN-2

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 ILE A  61
TRP A  69
SER A 128
VAL A 132
VAL A 140
 None
 1.46A 3burA-2mt9A:
undetectable		 3burA-2mt9A:
21.54
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 ILE A 123
TRP A 151
SER A 182
VAL A 166
VAL A 179
 None
 1.29A 3burA-3bv6A:
undetectable		 3burA-3bv6A:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		8 TYR A  26
ILE A  57
TRP A  89
THR A 224
SER A 225
ASN A 227
VAL A 231
VAL A 309
 CI2  A 328 ( 4.0A)
None
None
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
 0.72A 3burA-3cavA:
54.1		 3burA-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		8 TYR A  26
ILE A  57
TRP A  89
TYR A 132
THR A 224
SER A 225
VAL A 231
VAL A 309
 CI2  A 328 ( 4.0A)
None
None
None
None
NAP  A 327 (-4.6A)
None
CI2  A 328 ( 4.9A)
 0.54A 3burA-3cavA:
54.1		 3burA-3cavA:
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.
3mmw ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		5 ILE A  94
TRP A 115
ASN A  17
VAL A  50
VAL A  90
 None
 1.11A 3burA-3mmwA:
10.3		 3burA-3mmwA:
21.63
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 THR A  50
SER A 262
ASN A   3
VAL A   5
VAL A 138
 None
 1.49A 3burA-3ry7A:
undetectable		 3burA-3ry7A:
22.95
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 ILE A 250
TRP A 276
ASN A 162
VAL A 206
VAL A 246
 None
 1.07A 3burA-3zmrA:
5.9		 3burA-3zmrA:
21.91
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.
4xyw O-ANTIGEN
BIOSYNTHESIS
GLYCOSYLTRANSFERASE
WBNH

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 TYR A 332
ILE A  27
SER A 164
ASN A 165
TRP A  19
 None
 1.48A 3burA-4xywA:
undetectable		 3burA-4xywA:
21.88
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.
4z1p CELL WALL SURFACE
ANCHOR PROTEIN

(Streptococcus
agalactiae) 		PF16364
(Antigen_C) 		5 TYR A 265
THR A 326
ASN A 308
VAL A 179
VAL A 199
 None
 0.97A 3burA-4z1pA:
undetectable		 3burA-4z1pA:
20.20
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.
5al7 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG

(Drosophila
melanogaster) 		PF16531
(SAS-6_N) 		5 ILE A  73
TYR A 164
ASN A  22
VAL A  21
VAL A  52
 None
 1.31A 3burA-5al7A:
undetectable		 3burA-5al7A:
22.85
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 TYR A 832
ILE A 711
TYR A 759
THR A 816
VAL A 814
 None
 1.36A 3burA-5n4lA:
undetectable		 3burA-5n4lA:
18.49
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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 5 TYR A  53
THR A 235
SER A 143
ASN A 126
VAL A  82
 None
 1.42A 3burA-6c80A:
undetectable		 3burA-6c80A:
14.65
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 ILE A 460
THR A 580
SER A 418
ASN A 390
VAL A 416
 None
 1.43A 3burA-6fn1A:
undetectable		 3burA-6fn1A:
14.69