SIMILAR PATTERNS OF AMINO ACIDS FOR 1RQP_A_SAMA500_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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		5 LEU A 298
ASP A 302
SER A 291
TRP A   8
THR A  10
 None
 1.42A 1rqpA-1biyA:
2.2		 1rqpA-1biyA:
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.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1

(Escherichia
coli) 		PF05785
(CNF1) 		5 LEU A 936
SER A 958
THR A 977
PHE A1010
SER A 992
 None
 1.44A 1rqpA-1hq0A:
0.0		 1rqpA-1hq0A:
22.02
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 LEU A 640
ASP A 638
SER A 639
TYR A 587
PHE A 590
 None
 1.45A 1rqpA-1kv9A:
undetectable		 1rqpA-1kv9A:
20.87
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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 LEU A 298
ASP A 302
SER A 291
TRP A   8
THR A  10
 None
 1.43A 1rqpA-1n76A:
2.6		 1rqpA-1n76A:
18.01
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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		5 LEU A 298
ASP A 302
SER A 291
TRP A   8
THR A  10
 None
 1.36A 1rqpA-1qjmA:
1.4		 1rqpA-1qjmA:
18.08
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.
1y7i SALICYLIC
ACID-BINDING PROTEIN
2

(Nicotiana
tabacum) 		PF12697
(Abhydrolase_6) 		5 ASP A 185
LEU A 186
SER A 115
THR A  54
THR A  59
 None
 1.30A 1rqpA-1y7iA:
3.2		 1rqpA-1y7iA:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c4t 5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE

(Streptomyces
cattleya) 		PF01887
(SAM_adeno_trans) 		10 ASP A  16
LEU A  17
ASP A  21
SER A  23
TRP A  50
THR A  76
TYR A  77
THR A  80
PHE A 156
SER A 158
 SA8  A1299 (-2.9A)
SA8  A1299 ( 4.8A)
SA8  A1299 (-3.7A)
SA8  A1299 (-3.1A)
SA8  A1299 (-4.2A)
SA8  A1299 ( 4.7A)
None
SA8  A1299 (-4.0A)
SA8  A1299 (-3.5A)
SA8  A1299 (-2.6A)
 0.12A 1rqpA-2c4tA:
47.1		 1rqpA-2c4tA:
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASP A 308
SER A 334
THR A 143
TYR A 144
SER A 147
 NAD  A 394 (-2.9A)
NAD  A 394 (-2.9A)
None
None
NAD  A 394 (-2.8A)
 1.49A 1rqpA-2nadA:
2.2		 1rqpA-2nadA:
22.60
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.
3k6g TELOMERIC
REPEAT-BINDING
FACTOR 2-INTERACTING
PROTEIN 1
TELOMERIC
REPEAT-BINDING
FACTOR 2

(Homo sapiens;
Homo sapiens) 		PF11626
(Rap1_C)
PF16772
(TERF2_RBM) 		5 ASP A 328
LEU A 329
SER D 296
THR A 331
PHE D 292
 None
 1.46A 1rqpA-3k6gA:
undetectable		 1rqpA-3k6gA:
16.36
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.
4hsc STREPTOLYSIN O

(Streptococcus
pyogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 ASP X 205
LEU X 206
THR X 303
TYR X 344
PHE X 422
 None
 1.38A 1rqpA-4hscX:
0.0		 1rqpA-4hscX:
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.
4z9c PERTUSSIS TOXIN-LIKE
SUBUNIT ARTA

(Escherichia
coli) 		PF02917
(Pertussis_S1) 		5 LEU A  77
SER A  12
THR A 137
TYR A 138
PHE A  73
 None
 1.48A 1rqpA-4z9cA:
undetectable		 1rqpA-4z9cA:
23.30
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		5 ASP A 296
ASP A 288
SER A 290
TYR A 298
PHE A 301
 None
 1.38A 1rqpA-5jwzA:
undetectable		 1rqpA-5jwzA:
17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		10 ASP A  16
LEU A  17
ASP A  21
SER A  23
TRP A  50
THR A  76
TYR A  77
THR A  80
PHE A 156
SER A 158
 None
None
None
None
None
None
CL  A 302 ( 4.6A)
None
None
None
 0.28A 1rqpA-5lmzA:
43.0		 1rqpA-5lmzA:
87.33
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 5 ASP A 182
LEU A 183
ASP A 119
SER A 115
THR A  53
 None
 1.47A 1rqpA-5tdxA:
3.1		 1rqpA-5tdxA:
22.08