SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q0B_C_NVPC901_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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		5 LEU A   7
LYS A 222
TYR A 180
TYR A 188
LEU A 161
 None
 1.46A 4q0bC-1f8rA:
2.8		 4q0bC-1f8rA:
21.09
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 LEU A 353
VAL A 338
VAL A 292
TYR A 336
LEU A 315
 None
 0.98A 4q0bC-1lc7A:
2.0		 4q0bC-1lc7A:
20.96
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		5 LEU A  72
VAL A 117
VAL A  12
TYR A 134
LEU A  33
 HEM  A 160 (-4.5A)
None
None
None
None
 1.27A 4q0bC-1yhuA:
undetectable		 4q0bC-1yhuA:
14.03
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) 		9 LEU A 100
LYS A 103
VAL A 106
VAL A 179
TYR A 181
TYR A 188
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.74A 4q0bC-2hnzA:
36.4		 4q0bC-2hnzA:
98.31
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.
2pny ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE
2

(Homo sapiens) 		PF00293
(NUDIX) 		5 LEU A  66
VAL A 159
VAL A 155
LEU A 161
TYR A 173
 None
 1.46A 4q0bC-2pnyA:
0.0		 4q0bC-2pnyA:
18.36
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 LEU L 273
VAL L 261
VAL L 328
TYR L 256
LEU S 441
 None
 1.37A 4q0bC-3g9kL:
undetectable		 4q0bC-3g9kL:
21.19
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.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 5 VAL A 252
VAL A 329
TYR A 327
TRP A 308
LEU A 306
 None
 1.35A 4q0bC-3l15A:
undetectable		 4q0bC-3l15A:
17.49
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.
3nxs LAO/AO TRANSPORT
SYSTEM ATPASE

(Mycolicibacterium
smegmatis) 		PF03308
(ArgK) 		5 LEU A 151
VAL A 172
VAL A 168
TRP A 250
LEU A  74
 None
 1.35A 4q0bC-3nxsA:
0.5		 4q0bC-3nxsA:
19.35
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 LEU B1144
LYS B1116
TYR B 975
LEU B 978
TYR B1113
 None
 1.41A 4q0bC-3u44B:
1.5		 4q0bC-3u44B:
19.05
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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		5 LEU A  81
LYS A 107
VAL A  50
TRP A  54
LEU A 111
 None
 1.46A 4q0bC-3vusA:
undetectable		 4q0bC-3vusA:
20.51
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		5 LEU A  81
LYS A 107
VAL A  50
TRP A  54
LEU A 111
 None
 1.46A 4q0bC-4f9dA:
0.5		 4q0bC-4f9dA:
23.41
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.
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
 1.24A 4q0bC-4jggA:
1.2		 4q0bC-4jggA:
17.37
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 LEU A  45
VAL A 127
TYR A  93
LEU A  82
TYR A 149
 None
 1.46A 4q0bC-5amqA:
7.0		 4q0bC-5amqA:
12.86
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
VAL B 179
TYR B 181
TYR B 188
 None
 0.67A 4q0bC-5c24B:
9.9		 4q0bC-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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 LEU A 285
VAL A  46
VAL A  57
TYR A  60
LEU A  36
 None
 1.32A 4q0bC-5ll7A:
undetectable		 4q0bC-5ll7A:
9.32
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
 0.77A 4q0bC-5ovnA:
25.0		 4q0bC-5ovnA:
53.92
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.
6az1 RIBOSOMAL PROTEIN
S7E

(Leishmania
donovani) 		no annotation 5 LEU I  27
VAL I  94
VAL I  49
TYR I  66
LEU I  81
 None
 1.45A 4q0bC-6az1I:
2.4		 4q0bC-6az1I:
9.35