SIMILAR PATTERNS OF AMINO ACIDS FOR 4B3O_A_EFZA1557

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.
1b04 PROTEIN (DNA LIGASE)

(Geobacillus
stearothermophilus) 		PF01653
(DNA_ligase_aden) 		5 LEU A 164
VAL A 220
TYR A 240
GLY A 222
TYR A 124
 None
 1.48A 4b3oA-1b04A:
0.0		 4b3oA-1b04A:
19.42
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.
1fzt PHOSPHOGLYCERATE
MUTASE

(Schizosaccharomyces
pombe) 		PF00300
(His_Phos_1) 		5 LEU A 159
VAL A  78
TYR A  54
GLY A  46
LEU A  83
 None
 1.34A 4b3oA-1fztA:
undetectable		 4b3oA-1fztA:
19.04
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LYS A 220
LYS A 223
VAL A 195
GLY A 196
LEU A 217
 None
NAJ  A1361 (-4.1A)
None
NAJ  A1361 (-3.2A)
None
 1.42A 4b3oA-1h2bA:
undetectable		 4b3oA-1h2bA:
21.99
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 LEU A 164
VAL A 173
TYR A 417
GLY A  83
LEU A 420
 None
 1.44A 4b3oA-1lfwA:
2.3		 4b3oA-1lfwA:
21.26
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.
1shx EPHRIN-A5

(Mus musculus) 		PF00812
(Ephrin) 		5 LEU A 159
LYS A 160
VAL A  56
LEU A  62
TYR A 142
 None
 1.27A 4b3oA-1shxA:
undetectable		 4b3oA-1shxA:
12.41
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.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 LEU A  15
LYS A  14
VAL A  33
LEU A  40
TYR A 108
 None
 1.40A 4b3oA-1tp9A:
undetectable		 4b3oA-1tp9A:
15.48
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
 1.25A 4b3oA-1yq9A:
0.0		 4b3oA-1yq9A:
19.44
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.
2a4d UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
1

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A 141
LYS A 142
VAL A 167
GLY A 172
LEU A 198
 None
 1.42A 4b3oA-2a4dA:
undetectable		 4b3oA-2a4dA:
13.63
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 189
VAL A 207
TYR A 229
GLY A 185
LEU A 224
 None
 1.49A 4b3oA-2cf5A:
0.0		 4b3oA-2cf5A:
20.29
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.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 LEU A  27
LYS A  26
VAL A  33
GLY A  32
LEU A 106
 None
 1.48A 4b3oA-2hf8A:
undetectable		 4b3oA-2hf8A:
17.33
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.
2hlw UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
1

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A  90
LYS A  91
VAL A 116
GLY A 121
LEU A 147
 None
 1.22A 4b3oA-2hlwA:
undetectable		 4b3oA-2hlwA:
14.59
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.
2hlw UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
1

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A  90
VAL A 123
TYR A  88
GLY A 121
LEU A 147
 None
 1.44A 4b3oA-2hlwA:
undetectable		 4b3oA-2hlwA:
14.59
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A 874
LYS A 873
VAL A 841
GLY A 842
LEU A 879
 None
 1.38A 4b3oA-2hnhA:
undetectable		 4b3oA-2hnhA:
21.18
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) 		8 LEU A 100
LYS A 101
LYS A 103
VAL A 106
TYR A 181
GLY A 190
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
None
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)
 0.82A 4b3oA-2hnzA:
34.0		 4b3oA-2hnzA:
98.14
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) 		8 LEU A 100
LYS A 101
LYS A 103
VAL A 106
TYR A 181
TYR A 188
GLY A 190
TYR A 318
 PC0  A 999 ( 3.9A)
None
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)
 0.83A 4b3oA-2hnzA:
34.0		 4b3oA-2hnzA:
98.14
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.
2j63 AP-ENDONUCLEASE

(Leishmania
major) 		PF03372
(Exo_endo_phos) 		5 LEU A 144
LYS A 145
VAL A 137
GLY A 139
LEU A 151
 None
 1.35A 4b3oA-2j63A:
undetectable		 4b3oA-2j63A:
21.23
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.
2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 381
LYS A 382
VAL A 283
LEU A 428
TYR A 385
 None
 1.47A 4b3oA-2jiiA:
undetectable		 4b3oA-2jiiA:
20.86
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.
2rgn RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 25

(Homo sapiens) 		PF00621
(RhoGEF) 		5 LEU B 302
LYS B 303
VAL B 164
TYR B 298
LEU B 235
 None
 1.50A 4b3oA-2rgnB:
undetectable		 4b3oA-2rgnB:
20.77
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.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
graminearum) 		PF02458
(Transferase) 		5 LEU A 141
VAL A  29
TYR A  27
GLY A 147
LEU A 392
 None
 1.10A 4b3oA-2rkvA:
2.0		 4b3oA-2rkvA:
19.27
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.
2yx6 HYPOTHETICAL PROTEIN
PH0822

(Pyrococcus
horikoshii) 		PF02579
(Nitro_FeMo-Co) 		5 LEU A 107
LYS A 108
VAL A  17
GLY A  93
LEU A  68
 None
 1.03A 4b3oA-2yx6A:
3.1		 4b3oA-2yx6A:
12.14
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.
3eay SENTRIN-SPECIFIC
PROTEASE 7

(Homo sapiens) 		PF02902
(Peptidase_C48) 		5 LYS A 681
VAL A 696
TYR A 685
GLY A 695
LEU A 974
 None
 1.36A 4b3oA-3eayA:
undetectable		 4b3oA-3eayA:
20.28
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.
3krs TRIOSEPHOSPHATE
ISOMERASE

(Cryptosporidium
parvum) 		PF00121
(TIM) 		5 LEU A 238
LYS A 239
VAL A  39
GLY A   9
LEU A  20
 None
 1.35A 4b3oA-3krsA:
undetectable		 4b3oA-3krsA:
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.
3oxh RV0577 PROTEIN

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		5 LEU A 183
LYS A 184
VAL A 165
TYR A 161
GLY A 166
 None
 1.04A 4b3oA-3oxhA:
undetectable		 4b3oA-3oxhA:
19.84
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.
3quc INORGANIC
PYROPHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 LEU A 157
LYS A 158
VAL A 138
TYR A 153
LEU A   9
 None
 1.39A 4b3oA-3qucA:
undetectable		 4b3oA-3qucA:
16.22
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
 1.22A 4b3oA-4jggA:
1.5		 4b3oA-4jggA:
17.34
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.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		5 LEU A1228
LYS A1225
TYR A1270
GLY A1258
LEU A1252
 None
 1.44A 4b3oA-4pivA:
2.7		 4b3oA-4pivA:
23.02
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.
5aj1 SWI/SNF-RELATED
MATRIX-ASSOCIATED
ACTIN-DEPENDENT
REGULATOR OF
CHROMATIN SUBFAMILY
B MEMBER 1

(Homo sapiens) 		no annotation 5 LEU A  36
TYR A  47
GLY A  29
LEU A 100
TYR A  35
 None
 1.42A 4b3oA-5aj1A:
undetectable		 4b3oA-5aj1A:
12.50
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
 0.79A 4b3oA-5c24B:
10.7		 4b3oA-5c24B:
95.99
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 6 LEU A  99
LYS A 102
VAL A 105
GLY A 189
LEU A 233
TYR A 317
 None
 0.72A 4b3oA-5ovnA:
28.3		 4b3oA-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
 0.65A 4b3oA-5ovnB:
10.1		 4b3oA-5ovnB:
59.76
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.
5xbq PEROXIREDOXIN

(Pyrococcus
horikoshii) 		no annotation 5 LEU A  22
LYS A   7
VAL A 126
GLY A 130
LEU A  35
 None
 1.38A 4b3oA-5xbqA:
undetectable		 4b3oA-5xbqA:
8.48