SIMILAR PATTERNS OF AMINO ACIDS FOR 3HVT_A_NVPA557_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		5 LYS A 104
VAL A 106
TYR A 181
TYR A 188
GLY A 190
 None
 1.07A 3hvtA-1harA:
24.3		 3hvtA-1harA:
94.91
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A  60
VAL A  87
GLY A  88
LEU A  12
TYR A  44
 GOL  A1272 (-4.0A)
None
GOL  A1271 (-3.8A)
None
None
 1.22A 3hvtA-1yq9A:
undetectable		 3hvtA-1yq9A:
19.07
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.
2hfd HYDROGENASE-1 OPERON
PROTEIN HYAE

(Escherichia
coli) 		PF07449
(HyaE) 		5 LEU A 123
VAL A  38
TYR A 103
GLY A  37
LEU A 107
 None
 1.47A 3hvtA-2hfdA:
undetectable		 3hvtA-2hfdA:
12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
LYS A 103
TYR A 181
GLY A 190
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.3A)
 1.47A 3hvtA-2hnzA:
14.5		 3hvtA-2hnzA:
98.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
LYS A 103
VAL A 106
TYR A 181
GLY A 190
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.72A 3hvtA-2hnzA:
14.5		 3hvtA-2hnzA:
98.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
LYS A 103
VAL A 106
TYR A 181
TYR A 188
GLY A 190
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.3A)
 0.77A 3hvtA-2hnzA:
14.5		 3hvtA-2hnzA:
98.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		6 LYS A 103
VAL A 106
TYR A 181
TYR A 188
GLY A 190
TRP A 229
 None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
 1.43A 3hvtA-2hnzA:
14.5		 3hvtA-2hnzA:
98.32
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 LEU A 364
TYR A 422
GLY A 377
LEU A 382
TYR A 361
 None
 1.15A 3hvtA-2wmhA:
0.7		 3hvtA-2wmhA:
20.64
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		5 VAL A 163
TYR A 156
TYR A 157
GLY A 162
TRP A 153
 None
None
None
None
PE8  A2002 (-4.8A)
 1.45A 3hvtA-2yy7A:
0.9		 3hvtA-2yy7A:
20.19
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		5 LEU A 283
TYR A 344
GLY A 317
LEU A 257
TYR A 228
 None
EDO  A 362 (-4.7A)
None
None
None
 1.30A 3hvtA-3ianA:
undetectable		 3hvtA-3ianA:
21.10
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 262
TYR A 323
GLY A 296
LEU A 236
TYR A 207
 None
 1.26A 3hvtA-4axnA:
0.8		 3hvtA-4axnA:
20.89
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 LEU A 658
LYS A 624
VAL A 619
GLY A 620
LEU A 639
 None
 1.44A 3hvtA-4bc7A:
3.9		 3hvtA-4bc7A:
22.05
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		5 LEU A 832
TYR A 762
GLY A 765
LEU A 829
TYR A 731
 None
 1.47A 3hvtA-4c90A:
undetectable		 3hvtA-4c90A:
21.00
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.
4jgg ESTERASE TESA

(Pseudomonas
aeruginosa) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 176
VAL A  39
TYR A  35
TYR A  37
LEU A  67
 None
 1.33A 3hvtA-4jggA:
0.9		 3hvtA-4jggA:
17.25
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.
4jj9 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
DELTA-ISOMERASE

(Bordetella
bronchiseptica) 		PF02962
(CHMI) 		5 LEU A  16
VAL A 116
TYR A   8
GLY A  75
LEU A 107
 None
 1.34A 3hvtA-4jj9A:
undetectable		 3hvtA-4jj9A:
13.96
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A  99
LYS A  89
VAL A 225
GLY A 226
LEU A 162
 None
 1.40A 3hvtA-4xgjA:
undetectable		 3hvtA-4xgjA:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LYS B 103
VAL B 106
TYR B 181
TYR B 188
GLY B 190
 None
 1.03A 3hvtA-5c24B:
9.2		 3hvtA-5c24B:
96.93
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.
5i1t STAGE II SPORULATION
PROTEIN D

(Clostridioides
difficile) 		PF08486
(SpoIID) 		5 LEU A 191
VAL A 320
TYR A 121
GLY A 321
TYR A 213
 CTO  A 404 (-4.7A)
None
CTO  A 404 (-4.4A)
None
CTO  A 404 (-4.6A)
 1.33A 3hvtA-5i1tA:
undetectable		 3hvtA-5i1tA:
21.07
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.
5nmy LYSOSTAPHIN

(Staphylococcus
simulans) 		no annotation 5 LEU A 361
VAL A 282
TYR A 327
GLY A 281
LEU A 258
 None
 1.40A 3hvtA-5nmyA:
undetectable		 3hvtA-5nmyA:
8.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LEU A  99
LYS A 102
TRP A 228
LEU A 233
TYR A 317
 None
 0.89A 3hvtA-5ovnA:
10.4		 3hvtA-5ovnA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LEU A  99
LYS A 102
VAL A 105
LEU A 233
TYR A 317
 None
 0.84A 3hvtA-5ovnA:
10.4		 3hvtA-5ovnA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LYS A 102
VAL A 105
GLY A 189
LEU A 233
TYR A 317
 None
 1.00A 3hvtA-5ovnA:
10.4		 3hvtA-5ovnA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LYS B 102
VAL B 105
TYR B 180
TYR B 187
GLY B 189
 None
 0.89A 3hvtA-5ovnB:
9.1		 3hvtA-5ovnB:
59.76