SIMILAR PATTERNS OF AMINO ACIDS FOR 5VOO_D_C2FD3001_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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		4 ASP A  75
ASN A  96
ASP A 160
ARG A 207
 None
 0.49A 5vooD-1f6yA:
29.3		 5vooD-1f6yA:
30.00
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.
1h2u 20 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		4 ASP X 141
ASP X 136
ASN X  46
ARG X 105
 None
 1.38A 5vooD-1h2uX:
undetectable		 5vooD-1h2uX:
18.03
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
 1.25A 5vooD-1rk2A:
2.2		 5vooD-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
 1.46A 5vooD-1ux6A:
undetectable		 5vooD-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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ASP A 497
ASN A 495
ASP A 527
ARG A 639
 None
 1.44A 5vooD-1w6jA:
undetectable		 5vooD-1w6jA:
18.26
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.
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
 1.11A 5vooD-2ajrA:
2.6		 5vooD-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) 		5 ASP A  76
ASN A  97
ASP A 161
ASN A 200
ARG A 208
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 0.37A 5vooD-2ycjA:
29.9		 5vooD-2ycjA:
30.13
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 ASP A 301
ASN A 185
ASP A 233
ARG A 383
 None
 1.38A 5vooD-3i3lA:
undetectable		 5vooD-3i3lA:
21.45
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) 		5 ASP A 396
ASN A 452
ASP A 519
ASN A 561
ARG A 573
 THH  A 642 ( 4.7A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
 1.34A 5vooD-3k13A:
38.4		 5vooD-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) 		5 ASP A 431
ASN A 452
ASP A 519
ASN A 561
ARG A 573
 THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
 0.28A 5vooD-3k13A:
38.4		 5vooD-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
 1.32A 5vooD-3nr8B:
undetectable		 5vooD-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.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 259
ASN A 257
ASP A 198
ASN A 108
 None
 1.15A 5vooD-3u37A:
3.5		 5vooD-3u37A:
21.90
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 256
ASN A 278
ASP A 332
ARG A 187
 SO4  A 374 (-3.1A)
None
None
None
 1.22A 5vooD-3u9iA:
9.8		 5vooD-3u9iA:
26.95
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 ASP A 278
ASN A  63
ASP A  15
ARG A 195
 ADN  A 353 (-3.3A)
ADN  A 353 (-3.4A)
ADN  A 353 (-2.8A)
None
 0.86A 5vooD-3uboA:
2.7		 5vooD-3uboA:
24.44
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 414
ASP A 537
ASN A 579
ARG A 591
 None
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
 0.88A 5vooD-4cczA:
38.6		 5vooD-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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 449
ASN A 470
ASP A 537
ASN A 579
ARG A 585
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.3A)
 1.20A 5vooD-4cczA:
38.6		 5vooD-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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 449
ASN A 470
ASP A 537
ASN A 579
ARG A 591
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
 0.34A 5vooD-4cczA:
38.6		 5vooD-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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 ASP A 276
ASN A  61
ASP A  13
ARG A 193
 ADN  A 500 (-2.8A)
ADN  A 500 (-3.5A)
ADN  A 500 (-2.7A)
None
 0.89A 5vooD-4e3aA:
2.2		 5vooD-4e3aA:
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 ASP A 331
ASN A  65
ASP A  57
ARG A 149
 None
 1.32A 5vooD-4lrsA:
15.0		 5vooD-4lrsA:
23.16
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.76A 5vooD-4o1eA:
27.9		 5vooD-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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		4 ASP A  22
ASP A  15
ASN A 335
ARG A 333
 None
 1.46A 5vooD-4tpnA:
undetectable		 5vooD-4tpnA:
24.81
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASP A1200
ASP A 926
ASN A 784
ARG A 836
 None
 1.20A 5vooD-4zhjA:
undetectable		 5vooD-4zhjA:
13.75
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)
 1.22A 5vooD-5dx9A:
undetectable		 5vooD-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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		4 ASP A  99
ASN A 101
ASN A 210
ARG A 216
 None
 1.36A 5vooD-5jp6A:
2.1		 5vooD-5jp6A:
24.93
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 5vooD-5okoA:
undetectable		 5vooD-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 5 ASP A 443
ASN A 464
ASP A 531
ASN A 573
ARG A 583
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.15A 5vooD-5vopA:
46.4		 5vooD-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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 4 ASN A  10
ASP A  92
ASN A  85
ARG A 172
 None
 1.20A 5vooD-5xb6A:
undetectable		 5vooD-5xb6A:
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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 4 ASP E 204
ASN E 272
ASP E 239
ARG E  72
 None
ARG  E 401 (-4.3A)
UDP  E 403 ( 3.2A)
None
 1.44A 5vooD-5xykE:
undetectable		 5vooD-5xykE:
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.
6d0y NUCLEAR CAP-BINDING
PROTEIN SUBUNIT 2

(Homo sapiens) 		no annotation 4 ASP A 141
ASP A 136
ASN A  46
ARG A 105
 None
 1.35A 5vooD-6d0yA:
undetectable		 5vooD-6d0yA:
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
ARG K 624
 A  O  61 ( 3.3A)
A  O  62 ( 3.2A)
None
None
 1.25A 5vooD-6d6qK:
undetectable		 5vooD-6d6qK:
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
 1.25A 5vooD-6d6qK:
undetectable		 5vooD-6d6qK:
undetectable