SIMILAR PATTERNS OF AMINO ACIDS FOR 4PUO_A_NVPA901_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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		5 LEU A  72
VAL A 117
VAL A  12
TYR A 134
LEU A  33
 HEM  A 160 (-4.5A)
None
None
None
None
 1.18A 4puoA-1yhuA:
undetectable		 4puoA-1yhuA:
14.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		9 PRO A  95
LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.77A 4puoA-2hnzA:
36.6		 4puoA-2hnzA:
98.31
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.
2ku7 MLL1 PHD3-CYP33 RRM
CHIMERIC PROTEIN

(Homo sapiens) 		PF00076
(RRM_1)
PF00628
(PHD) 		5 PRO A  96
LEU A  27
VAL A  65
TYR A  67
LEU A  30
 None
 1.26A 4puoA-2ku7A:
1.8		 4puoA-2ku7A:
14.82
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.
3bh2 ACETOACETATE
DECARBOXYLASE

(Clostridium
acetobutylicum) 		PF06314
(ADC) 		5 PRO A  50
LEU A  51
TYR A 240
LEU A 168
TYR A  92
 None
 1.50A 4puoA-3bh2A:
0.6		 4puoA-3bh2A:
19.15
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 LEU L 273
VAL L 261
VAL L 328
TYR L 256
LEU S 441
 None
 1.45A 4puoA-3g9kL:
0.0		 4puoA-3g9kL:
21.19
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.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 5 VAL A 252
VAL A 329
TYR A 327
TRP A 308
LEU A 306
 None
 1.47A 4puoA-3l15A:
undetectable		 4puoA-3l15A:
17.49
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 PRO A 306
LEU A 335
VAL A 248
LEU A 279
TYR A 333
 MLI  A 601 ( 4.5A)
MLI  A 601 (-4.7A)
ATP  A 600 (-4.3A)
None
None
 1.50A 4puoA-3q60A:
0.0		 4puoA-3q60A:
22.01
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.
3zh9 DELTA

(Bacillus
subtilis) 		PF06144
(DNA_pol3_delta) 		5 PRO B  83
LEU B 102
VAL B  17
VAL B  78
LEU B 134
 None
 1.35A 4puoA-3zh9B:
0.0		 4puoA-3zh9B:
23.59
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.
4jgg ESTERASE TESA

(Pseudomonas
aeruginosa) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 176
VAL A  39
TYR A  35
TYR A  37
LEU A  67
 None
 1.30A 4puoA-4jggA:
1.4		 4puoA-4jggA:
17.37
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.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		5 PRO A 452
VAL A 266
TYR A 300
TYR A 264
LEU A 310
 None
 1.34A 4puoA-4oetA:
1.8		 4puoA-4oetA:
21.96
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.
4pq0 FACT COMPLEX SUBUNIT
POB3

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		5 PRO A 253
LEU A 316
VAL A 248
TYR A 257
LEU A 277
 None
 1.46A 4puoA-4pq0A:
2.3		 4puoA-4pq0A:
18.60
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
 None
 1.32A 4puoA-4q2cA:
undetectable		 4puoA-4q2cA:
19.83
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 PRO A 217
LEU A 239
VAL A 263
VAL A 253
TRP A 194
 None
 1.42A 4puoA-4q7aA:
undetectable		 4puoA-4q7aA:
20.65
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.
5aza MALTOSE-BINDING
PERIPLASMIC
PROTEIN,OLIGOSACCHAR
YL TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Escherichia
coli;
Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 PRO A 503
LEU A 575
VAL A 531
VAL A 520
TYR A 564
 None
 1.48A 4puoA-5azaA:
undetectable		 4puoA-5azaA:
22.01
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.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		5 PRO A  69
LEU A  71
VAL A 133
TYR A  62
LEU A  46
 None
 1.46A 4puoA-5bncA:
undetectable		 4puoA-5bncA:
17.95
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 PRO A  69
LEU A  15
VAL A  78
VAL A  30
LEU A  93
 None
 1.27A 4puoA-5o25A:
2.0		 4puoA-5o25A:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 PRO A  94
LEU A  99
VAL A 105
LEU A 233
TYR A 317
 None
 1.03A 4puoA-5ovnA:
25.2		 4puoA-5ovnA:
53.92
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.
5tu4 PAGF
PRENYLTRANSFERASE

(Planktothrix
agardhii) 		no annotation 5 PRO A 232
LEU A 234
VAL A 203
LEU A 279
TYR A 236
 None
 1.39A 4puoA-5tu4A:
0.7		 4puoA-5tu4A:
20.25
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.
6fzw COLLAGEN
ALPHA-1(III) CHAIN

(Homo sapiens) 		no annotation 5 PRO A 225
VAL A 239
VAL A  89
TYR A 149
LEU A 171
 None
 1.41A 4puoA-6fzwA:
undetectable		 4puoA-6fzwA:
8.21