SIMILAR PATTERNS OF AMINO ACIDS FOR 1DY5_A_ACTA600_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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 HIS A 475
VAL A 470
ASN A 471
THR A 472
 None
 1.21A 1dy5A-1hn0A:
undetectable		 1dy5A-1hn0A:
8.69
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		4 HIS A 107
VAL A  72
ASN A  73
THR A  74
 None
 1.15A 1dy5A-1kcxA:
undetectable		 1dy5A-1kcxA:
11.56
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.
1m07 RIBONUCLEASE

(Rana
catesbeiana) 		PF00074
(RnaseA) 		4 HIS A  10
VAL A  37
ASN A  38
THR A  39
 None
 0.57A 1dy5A-1m07A:
14.5		 1dy5A-1m07A:
29.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rra PROTEIN
(RIBONUCLEASE)

(Rattus
norvegicus) 		PF00074
(RnaseA) 		4 HIS A  12
VAL A  43
ASN A  44
THR A  45
 PO4  A 125 (-3.6A)
None
None
None
 0.35A 1dy5A-1rraA:
21.6		 1dy5A-1rraA:
66.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1srn RIBONUCLEASE A

(Bos taurus) 		PF00074
(RnaseA) 		4 HIS A  12
VAL A  43
ASN A  44
THR A  45
 SO4  A 125 (-3.6A)
None
None
None
 0.34A 1dy5A-1srnA:
20.3		 1dy5A-1srnA:
99.15
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		4 HIS A 348
VAL A 100
ASN A 101
THR A 418
 None
 1.47A 1dy5A-1z5aA:
undetectable		 1dy5A-1z5aA:
13.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bwl ANGIOGENIN

(Mus musculus) 		PF00074
(RnaseA) 		4 HIS A  13
VAL A  42
ASN A  43
THR A  44
 PO4  A1120 (-3.9A)
None
None
None
 0.43A 1dy5A-2bwlA:
17.2		 1dy5A-2bwlA:
36.00
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.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		4 HIS A 119
VAL A 127
ASN A 126
THR A 135
 None
 1.28A 1dy5A-2czqA:
undetectable		 1dy5A-2czqA:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j4t ANGIOGENIN-4

(Mus musculus) 		PF00074
(RnaseA) 		4 HIS A  12
VAL A  41
ASN A  42
THR A  43
 None
 0.47A 1dy5A-2j4tA:
17.0		 1dy5A-2j4tA:
31.76
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.
2r5k MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
10) 		PF00500
(Late_protein_L1) 		4 HIS A 362
VAL A 114
ASN A 338
THR A 337
 None
 1.42A 1dy5A-2r5kA:
undetectable		 1dy5A-2r5kA:
16.14
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.
2vq9 RNASE 1

(Danio rerio) 		PF00074
(RnaseA) 		4 HIS A  16
VAL A  47
ASN A  48
THR A  49
 CL  A1128 (-4.6A)
None
CL  A1128 ( 4.9A)
CL  A1128 (-4.2A)
 0.46A 1dy5A-2vq9A:
16.1		 1dy5A-2vq9A:
21.85
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.
3lje ZEBRAFISH RNASE5

(Danio rerio) 		PF00074
(RnaseA) 		4 HIS A  17
VAL A  47
ASN A  48
THR A  49
 SO4  A1000 (-4.0A)
None
None
None
 0.22A 1dy5A-3ljeA:
15.6		 1dy5A-3ljeA:
27.46
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.
3ln8 HYDROLASE

(Danio rerio) 		PF00074
(RnaseA) 		4 HIS A  16
VAL A  49
ASN A  50
THR A  51
 None
 0.60A 1dy5A-3ln8A:
14.9		 1dy5A-3ln8A:
28.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mx8 RIBONUCLEASE
PANCREATIC, LINKER,
RIBONUCLEASE
PANCREATIC

(Bos taurus) 		PF00074
(RnaseA) 		4 HIS A  12
VAL A  43
ASN A  44
THR A  45
 SO4  A 256 ( 4.0A)
None
SO4  A 253 (-3.8A)
SO4  A 253 (-4.2A)
 0.41A 1dy5A-3mx8A:
24.4		 1dy5A-3mx8A:
49.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mx8 RIBONUCLEASE
PANCREATIC, LINKER,
RIBONUCLEASE
PANCREATIC

(Bos taurus) 		PF00074
(RnaseA) 		4 HIS A 140
VAL A 171
ASN A 172
THR A 173
 SO4  A 255 ( 4.0A)
None
CL  A 258 (-4.6A)
CL  A 258 (-4.7A)
 0.29A 1dy5A-3mx8A:
24.4		 1dy5A-3mx8A:
49.21
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.
3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Clostridium
aminobutyricum) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 HIS A 181
VAL A 155
ASN A 156
THR A 179
 None
 1.34A 1dy5A-3qdqA:
undetectable		 1dy5A-3qdqA:
15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tsr RIBONUCLEASE
PANCREATIC

(Mus musculus) 		PF00074
(RnaseA) 		4 HIS A  13
VAL A  44
ASN A  45
THR A  46
 None
 0.36A 1dy5A-3tsrA:
22.9		 1dy5A-3tsrA:
68.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zbv ANGIOGENIN-2

(Mus musculus) 		PF00074
(RnaseA) 		4 HIS A  13
VAL A  42
ASN A  43
THR A  44
 None
SO4  A1122 (-4.0A)
None
None
 0.45A 1dy5A-3zbvA:
17.5		 1dy5A-3zbvA:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zbw ANGIOGENIN-3

(Mus musculus) 		PF00074
(RnaseA) 		4 HIS A  13
VAL A  42
ASN A  43
THR A  44
 SO4  A1123 (-4.1A)
None
None
None
 0.38A 1dy5A-3zbwA:
17.0		 1dy5A-3zbwA:
35.20
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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		4 HIS A  81
VAL A  76
ASN A  77
THR A  78
 None
 1.31A 1dy5A-4chlA:
undetectable		 1dy5A-4chlA:
19.49
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A 308
VAL A 229
ASN A 228
THR A 304
 None
 1.46A 1dy5A-4cu8A:
undetectable		 1dy5A-4cu8A:
9.69
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.
4got METHIONINE-BINDING
LIPOPROTEIN METQ

(Bacillus
subtilis) 		PF03180
(Lipoprotein_9) 		4 HIS A  42
VAL A 204
ASN A 205
THR A  40
 None
 1.25A 1dy5A-4gotA:
undetectable		 1dy5A-4gotA:
19.35
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.
4hhq SERUM PARAOXONASE BY
DIRECTED EVOLUTION

(synthetic
construct) 		PF01731
(Arylesterase) 		4 HIS A 243
VAL A  30
ASN A  29
THR A  26
 None
 1.21A 1dy5A-4hhqA:
undetectable		 1dy5A-4hhqA:
17.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qfi ANGIOGENIN

(Rattus
norvegicus) 		PF00074
(RnaseA) 		4 HIS A  13
VAL A  42
ASN A  43
THR A  44
 None
 0.35A 1dy5A-4qfiA:
17.3		 1dy5A-4qfiA:
36.15
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.
5a12 CHLORITE DISMUTASE

(Magnetospirillum
sp.) 		PF06778
(Chlor_dismutase) 		4 HIS A 224
VAL A 218
ASN A 221
THR A 222
 None
 1.23A 1dy5A-5a12A:
undetectable		 1dy5A-5a12A:
20.69
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.
5ahw UNIVERSAL STRESS
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00582
(Usp) 		4 HIS A 145
VAL A 116
ASN A 115
THR A 146
 None
CMP  A1148 (-3.6A)
None
CMP  A1148 (-2.9A)
 1.28A 1dy5A-5ahwA:
undetectable		 1dy5A-5ahwA:
20.86
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 HIS A 560
VAL A 450
ASN A 482
THR A 483
 None
 1.36A 1dy5A-5im3A:
undetectable		 1dy5A-5im3A:
8.56
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.
5lzl DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pyrobaculum
calidifontis) 		PF00490
(ALAD) 		4 HIS A 324
VAL A 283
ASN A 282
THR A 322
 None
 1.46A 1dy5A-5lzlA:
undetectable		 1dy5A-5lzlA:
19.06
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.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 4 HIS A 370
VAL A 481
ASN A 368
THR A 386
 None
 1.44A 1dy5A-5nf2A:
undetectable		 1dy5A-5nf2A:
undetectable
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		4 HIS A 549
VAL A 554
ASN A 553
THR A 552
 None
 1.26A 1dy5A-5v1wA:
undetectable		 1dy5A-5v1wA:
12.15
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.
5y9c MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		no annotation 4 HIS A 365
VAL A 118
ASN A 341
THR A 340
 None
 1.47A 1dy5A-5y9cA:
undetectable		 1dy5A-5y9cA:
11.07