SIMILAR PATTERNS OF AMINO ACIDS FOR 5VOO_F_C2FF3001_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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		4 ASP A 382
ASN A 386
ASP A 176
ASN A 181
 None
None
SO4  A 601 (-3.8A)
None
 1.20A 5vooF-1kzhA:
0.3		 5vooF-1kzhA:
20.68
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		4 ASP A 255
ASN A  46
ASP A  16
ASN A 108
 RIB  A 311 (-3.1A)
RIB  A 311 (-3.3A)
RIB  A 311 (-2.8A)
None
 1.22A 5vooF-1rk2A:
2.6		 5vooF-1rk2A:
26.41
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 933
ASN A 931
ASP A 874
ASN A 855
 None
 1.47A 5vooF-1ux6A:
undetectable		 5vooF-1ux6A:
19.21
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 ASP A 261
ASN A  44
ASP A  12
ASN A 110
 None
ACT  A 321 (-3.9A)
ACT  A 321 (-3.1A)
None
 1.14A 5vooF-2ajrA:
2.6		 5vooF-2ajrA:
24.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		4 ASP A  76
ASN A  97
ASP A 161
ASN A 200
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 0.31A 5vooF-2ycjA:
29.8		 5vooF-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		4 ASP A 396
ASN A 452
ASP A 519
ASN A 561
 THH  A 642 ( 4.7A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
 1.39A 5vooF-3k13A:
38.2		 5vooF-3k13A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		4 ASP A 431
ASN A 452
ASP A 519
ASN A 561
 THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
 0.23A 5vooF-3k13A:
38.2		 5vooF-3k13A:
34.19
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 4 ASP B 607
ASN B 432
ASP B 717
ASN B 684
 None
 1.31A 5vooF-3nr8B:
undetectable		 5vooF-3nr8B:
21.60
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 ASP A 449
ASN A 470
ASP A 537
ASN A 579
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
 0.23A 5vooF-4cczA:
38.6		 5vooF-4cczA:
16.87
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		4 ASP A  76
ASN A  97
ASP A 161
ASN A 199
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
 0.83A 5vooF-4o1eA:
27.8		 5vooF-4o1eA:
28.26
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.
5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Cryptococcus
neoformans) 		PF02358
(Trehalose_PPase) 		4 ASP A 214
ASN A  24
ASP A  26
ASN A 178
 T6P  A 402 ( 4.3A)
MG  A 401 ( 2.5A)
T6P  A 402 ( 2.9A)
T6P  A 402 (-3.5A)
 1.24A 5vooF-5dx9A:
1.4		 5vooF-5dx9A:
24.87
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 607
ASN A 432
ASP A 717
ASN A 684
 None
 1.27A 5vooF-5okoA:
undetectable		 5vooF-5okoA:
20.40
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 4 ASP A 443
ASN A 464
ASP A 531
ASN A 573
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 0.09A 5vooF-5vopA:
45.7		 5vooF-5vopA:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASP K 488
ASN K 487
ASP K 784
ASN K 671
 A  O  61 ( 3.3A)
A  O  62 ( 3.2A)
None
None
 1.23A 5vooF-6d6qK:
undetectable		 5vooF-6d6qK:
undetectable