SIMILAR PATTERNS OF AMINO ACIDS FOR 4AWU_A_4CHA503_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.
1wou THIOREDOXIN -RELATED
PROTEIN, 14 KDA

(Homo sapiens) 		PF06110
(DUF953) 		4 TYR A   4
PHE A  28
PHE A 120
PHE A  66
 None
 1.47A 4awuA-1wouA:
0.0		 4awuA-1wouA:
16.16
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.
1xqp 8-OXOGUANINE DNA
GLYCOSYLASE

(Pyrobaculum
aerophilum) 		PF09171
(AGOG) 		4 TYR A  71
TRP A  69
PHE A  72
PHE A  76
 None
8HG  A 257 (-4.5A)
None
None
 0.85A 4awuA-1xqpA:
0.0		 4awuA-1xqpA:
23.88
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.
2fhe GLUTATHIONE
S-TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 SER A 148
TYR A 141
PHE A 178
PHE A 152
 None
 1.43A 4awuA-2fheA:
0.0		 4awuA-2fheA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 SER A  28
TYR A  68
TRP A  70
PHE A 142
PHE A 350
 None
PE4  A4124 (-3.8A)
None
None
PE4  A4124 (-4.2A)
 0.55A 4awuA-2gouA:
67.2		 4awuA-2gouA:
99.73
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.
2i6x HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Porphyromonas
gingivalis) 		PF13419
(HAD_2) 		4 TRP A 196
PHE A   7
PHE A 134
PHE A  92
 None
 1.21A 4awuA-2i6xA:
0.3		 4awuA-2i6xA:
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.
2iu5 HTH-TYPE DHAKLM
OPERON
TRANSCRIPTIONAL
ACTIVATOR DHAS

(Lactococcus
lactis) 		PF00440
(TetR_N) 		4 TRP A  56
PHE A  47
PHE A  43
PHE A  15
 None
 1.40A 4awuA-2iu5A:
undetectable		 4awuA-2iu5A:
18.92
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.
2v24 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 4

(Homo sapiens) 		PF00622
(SPRY) 		4 SER A 147
TYR A 161
PHE A 164
PHE A 171
 None
 1.33A 4awuA-2v24A:
0.0		 4awuA-2v24A:
21.77
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.
2ymz GALECTIN 2

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		4 SER A  80
TYR A  77
PHE A  76
PHE A  74
 None
 1.22A 4awuA-2ymzA:
undetectable		 4awuA-2ymzA:
15.15
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.
3olm E3 UBIQUITIN-PROTEIN
LIGASE RSP5

(Saccharomyces
cerevisiae) 		PF00397
(WW)
PF00632
(HECT) 		4 SER A 444
TYR A 441
PHE A 442
PHE A 679
 None
 1.48A 4awuA-3olmA:
0.0		 4awuA-3olmA:
21.38
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		4 TYR X 361
TRP X  27
PHE X 360
PHE X 302
 None
 1.36A 4awuA-3ss7X:
0.6		 4awuA-3ss7X:
25.27
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		4 SER A 456
TYR A 459
PHE A 461
PHE A 477
 None
 1.43A 4awuA-4gwnA:
undetectable		 4awuA-4gwnA:
19.46
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.
4ohc OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
cenocepacia) 		PF00156
(Pribosyltran) 		4 TYR A 162
TRP A 186
PHE A 209
PHE A 165
 None
 1.32A 4awuA-4ohcA:
undetectable		 4awuA-4ohcA:
22.19
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.
4ops MAJOR CAPSID PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 TYR A 514
TRP A 457
PHE A 515
PHE A 477
 None
 1.40A 4awuA-4opsA:
undetectable		 4awuA-4opsA:
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		4 SER A 217
TYR A 298
TRP A 286
PHE A 299
 None
 1.30A 4awuA-4r12A:
undetectable		 4awuA-4r12A:
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.
4txd CSC2

(Thermofilum
pendens) 		no annotation 4 SER A 335
TRP A 332
PHE A 151
PHE A 121
 None
 1.45A 4awuA-4txdA:
undetectable		 4awuA-4txdA:
22.80
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.
4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG

(Homo sapiens) 		PF04049
(ANAPC8)
PF13181
(TPR_8)
PF13414
(TPR_11) 		4 SER C  51
TYR C 173
PHE C 170
PHE C 116
 None
 1.32A 4awuA-4ui9C:
undetectable		 4awuA-4ui9C:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		4 TYR A  68
PHE A 132
PHE A 137
PHE A 345
 None
 0.98A 4awuA-5epdA:
54.0		 4awuA-5epdA:
46.72
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.
5ie6 ZEARALENONE
HYDROLASE

(Clonostachys
rosea) 		PF00561
(Abhydrolase_1) 		4 SER A  64
TYR A  16
TRP A  15
PHE A  56
 None
 1.01A 4awuA-5ie6A:
undetectable		 4awuA-5ie6A:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 SER A1776
TYR A1779
TRP A1772
PHE A1773
 None
 1.30A 4awuA-5m5pA:
undetectable		 4awuA-5m5pA:
11.29
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 SER A1776
TYR A1779
TRP A1772
PHE A1778
 None
 1.50A 4awuA-5m5pA:
undetectable		 4awuA-5m5pA:
11.29
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.
5xwz UNPLACED GENOMIC
SCAFFOLD
SUPERCONT1.36, WHOLE
GENOME SHOTGUN
SEQUENCE

(Cladophialophora
bantiana) 		no annotation 4 SER A  67
TYR A  19
TRP A  18
PHE A  59
 None
 1.04A 4awuA-5xwzA:
undetectable		 4awuA-5xwzA:
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.
5z97 LACTONASE FOR
PROTEIN

(Rhinocladiella
mackenziei) 		no annotation 4 SER A  67
TYR A  19
TRP A  18
PHE A  59
 None
 1.02A 4awuA-5z97A:
undetectable		 4awuA-5z97A:
undetectable