SIMILAR PATTERNS OF AMINO ACIDS FOR 3BUR_B_TESB340_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.
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
 1.25A 3burB-1bf5A:
undetectable		 3burB-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
 1.46A 3burB-1bxnA:
11.4		 3burB-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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TYR A 838
ILE A 717
TYR A 765
THR A 822
VAL A 820
 None
 1.31A 3burB-1kcwA:
undetectable		 3burB-1kcwA:
15.46
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
 1.20A 3burB-1phpA:
0.6		 3burB-1phpA:
22.54
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.
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)
 1.35A 3burB-1vclA:
undetectable		 3burB-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
 1.28A 3burB-1vpeA:
undetectable		 3burB-1vpeA:
20.67
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
 0.72A 3burB-2fvlA:
51.3		 3burB-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.
2hy5 PUTATIVE
SULFURTRANSFERASE
DSRE

(Allochromatium
vinosum) 		PF02635
(DrsE) 		5 ILE A  34
SER A  47
ASN A  46
TRP A  64
VAL A  61
 None
 1.31A 3burB-2hy5A:
1.5		 3burB-2hy5A:
18.52
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.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 ILE A 147
THR A 125
SER A 124
ASN A 194
VAL A 197
 None
 1.47A 3burB-2ppvA:
3.1		 3burB-2ppvA:
22.25
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.
2rir DIPICOLINATE
SYNTHASE, A CHAIN

(Bacillus
subtilis) 		PF01262
(AlaDh_PNT_C)
PF16924
(DpaA_N) 		5 ILE A  30
THR A  76
SER A  79
VAL A  83
VAL A  74
 None
 1.41A 3burB-2rirA:
undetectable		 3burB-2rirA:
19.65
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.
2wo3 EPHRIN-A2

(Homo sapiens) 		PF00812
(Ephrin) 		5 TYR B  68
TRP B 112
SER B  34
ASN B  66
VAL B  63
 None
 1.21A 3burB-2wo3B:
undetectable		 3burB-2wo3B:
17.63
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) 		9 TYR A  26
ILE A  57
TRP A  89
TYR A 132
THR A 224
SER A 225
ASN A 227
VAL A 231
VAL A 309
 CI2  A 328 ( 4.0A)
None
None
None
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
 0.56A 3burB-3cavA:
54.9		 3burB-3cavA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TRP A  86
THR A 221
TRP A 227
VAL A 228
 MLY  A  25 (-3.6A)
None
NAD  A 327 (-4.1A)
MRD  A 328 (-4.0A)
None
 0.79A 3burB-3ln3A:
49.3		 3burB-3ln3A:
51.53
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
 1.06A 3burB-3mmwA:
11.0		 3burB-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.
3rsc CALG2

(Micromonospora
echinospora) 		PF04101
(Glyco_tran_28_C) 		5 TYR A  80
ASN A 180
TRP A 179
VAL A 176
VAL A 175
 C0T  A 398 (-3.3A)
None
None
None
None
 1.44A 3burB-3rscA:
undetectable		 3burB-3rscA:
20.00
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.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		5 ILE A 295
ASN A 316
TRP A 315
VAL A 314
VAL A 313
 None
 1.28A 3burB-3uwdA:
undetectable		 3burB-3uwdA:
20.59
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 ILE A 297
ASN A 318
TRP A 317
VAL A 316
VAL A 315
 None
 1.34A 3burB-4dg5A:
undetectable		 3burB-4dg5A:
20.81
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
 1.45A 3burB-4xywA:
undetectable		 3burB-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.
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 3burB-5n4lA:
undetectable		 3burB-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.
5n5p PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 5 ILE A 828
TRP A 748
TYR A 798
VAL B 665
VAL B 662
 None
 1.42A 3burB-5n5pA:
undetectable		 3burB-5n5pA:
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 5 ILE A 207
TRP A 234
ASN A 129
VAL A 164
VAL A 203
 None
 1.04A 3burB-5oydA:
9.8		 3burB-5oydA:
11.11
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.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 5 ILE A 553
SER A 439
ASN A 441
VAL A 445
VAL A 448
 None
 1.26A 3burB-5xflA:
undetectable		 3burB-5xflA:
13.46
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
 1.50A 3burB-6c80A:
undetectable		 3burB-6c80A:
14.65