SIMILAR PATTERNS OF AMINO ACIDS FOR 1RQP_B_SAMB500_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 1rqpB-1biyA:
0.5
1rqpB-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
1.43A 1rqpB-1hq0A:
0.0
1rqpB-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 1rqpB-1kv9A:
undetectable
1rqpB-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
1.45A 1rqpB-1n76A:
0.4
1rqpB-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
1.38A 1rqpB-1qjmA:
0.0
1rqpB-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
1.31A 1rqpB-1y7iA:
0.9
1rqpB-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)
0.15A 1rqpB-2c4tA:
46.7
1rqpB-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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1)
PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C)
5 ASP A 683
ASP A 750
SER A 763
TRP A 684
TYR A 843
None
None
None
None
GOL  A3019 (-4.0A)
1.49A 1rqpB-2okxA:
0.5
1rqpB-2okxA:
16.17
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B


(Bos taurus)
PF00400
(WD40)
5 LEU C 335
SER C 336
THR C 347
THR C 251
SER C 333
None
1.48A 1rqpB-2p9nC:
undetectable
1rqpB-2p9nC:
23.53
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.
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 1rqpB-4hscX:
undetectable
1rqpB-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.
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
1.37A 1rqpB-5jwzA:
undetectable
1rqpB-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
0.22A 1rqpB-5lmzA:
43.1
1rqpB-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
1.50A 1rqpB-5tdxA:
3.0
1rqpB-5tdxA:
22.08