SIMILAR PATTERNS OF AMINO ACIDS FOR 3VW7_A_VPXA2001_2

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.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		4 PRO A 123
LEU A 121
HIS A 110
LEU A 108
 None
None
NAP  A 350 (-4.0A)
None
 1.29A 3vw7A-1c9wA:
undetectable		 3vw7A-1c9wA:
17.81
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.
1cau CANAVALIN

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		4 PRO B 256
LEU B 265
HIS B 297
LEU B 379
 None
 1.40A 3vw7A-1cauB:
0.0		 3vw7A-1cauB:
16.67
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.
1dgr CANAVALIN

(Canavalia
ensiformis) 		no annotation 4 PRO X 256
LEU X 265
HIS X 297
LEU Y 379
 None
None
PO4  X1500 (-4.1A)
None
 1.38A 3vw7A-1dgrX:
undetectable		 3vw7A-1dgrX:
10.69
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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		4 PRO A  17
LEU A  19
HIS A1148
LEU A1147
 None
 1.25A 3vw7A-1e69A:
0.0		 3vw7A-1e69A:
24.72
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.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 PRO A 310
LEU A 315
HIS A 258
LEU A 257
 None
 1.48A 3vw7A-1kijA:
0.0		 3vw7A-1kijA:
21.22
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.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		4 PRO A 531
LEU A  38
HIS A  75
LEU A 118
 None
 1.22A 3vw7A-1obhA:
0.0		 3vw7A-1obhA:
19.24
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 PRO A 686
LEU A 516
HIS A 242
LEU A 229
 None
 1.24A 3vw7A-2c11A:
0.0		 3vw7A-2c11A:
20.37
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		4 PRO A 467
LEU A 945
HIS A 897
LEU A 896
 None
None
EPE  A1151 (-4.2A)
None
 1.22A 3vw7A-2eyqA:
0.4		 3vw7A-2eyqA:
16.80
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		4 PRO A 250
LEU A 252
HIS A 133
LEU A 132
 None
 1.28A 3vw7A-2fvmA:
0.0		 3vw7A-2fvmA:
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.
2g40 CONSERVED
HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02589
(LUD_dom) 		4 PRO A 104
LEU A 143
HIS A 134
LEU A 180
 None
 1.42A 3vw7A-2g40A:
undetectable		 3vw7A-2g40A:
18.35
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 PRO A 394
LEU A 450
HIS A 447
LEU B  48
 None
 1.47A 3vw7A-2incA:
0.9		 3vw7A-2incA:
21.43
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.
2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF09281
(Taq-exonuc) 		4 PRO A 369
LEU A 361
HIS A 561
LEU A 560
 None
 1.38A 3vw7A-2ktqA:
undetectable		 3vw7A-2ktqA:
21.83
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		4 PRO A 407
LEU A 402
HIS A 422
LEU A 425
 None
 0.82A 3vw7A-2yevA:
6.7		 3vw7A-2yevA:
20.67
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.
2z2b DIHYDROOROTASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 PRO A 105
LEU A 212
HIS A 192
LEU A 193
 None
 1.50A 3vw7A-2z2bA:
undetectable		 3vw7A-2z2bA:
20.84
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 PRO A  98
LEU A  78
HIS A  54
LEU A  52
 None
 1.35A 3vw7A-3b7fA:
undetectable		 3vw7A-3b7fA:
21.74
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.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		4 PRO A  94
LEU A  41
HIS A  10
LEU A   9
 GOL  A   1 (-4.3A)
None
None
None
 1.30A 3vw7A-3fduA:
undetectable		 3vw7A-3fduA:
20.85
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.
3gyk 27KDA OUTER MEMBRANE
PROTEIN

(Ruegeria
pomeroyi) 		PF13462
(Thioredoxin_4) 		4 PRO A  17
LEU A  53
HIS A  85
LEU A  88
 None
 1.16A 3vw7A-3gykA:
undetectable		 3vw7A-3gykA:
15.50
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.
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 4 PRO A 348
LEU A 194
HIS A 191
LEU A  62
 None
 1.47A 3vw7A-3hr6A:
undetectable		 3vw7A-3hr6A:
21.31
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 PRO A  33
LEU A 241
HIS A 244
LEU A 117
 None
 1.42A 3vw7A-3oepA:
undetectable		 3vw7A-3oepA:
21.39
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		4 PRO A  96
LEU A 122
HIS A 256
LEU A 257
 None
 1.30A 3vw7A-3vocA:
undetectable		 3vw7A-3vocA:
21.56
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.
4c7w HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 PRO A  67
LEU A 358
HIS A  34
LEU A  35
 None
 1.45A 3vw7A-4c7wA:
undetectable		 3vw7A-4c7wA:
22.54
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.
4qlo HOMOSERINE
O-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		4 PRO A  59
LEU A  51
HIS A  44
LEU A 132
 None
 1.27A 3vw7A-4qloA:
undetectable		 3vw7A-4qloA:
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.
5cwe CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 PRO A 304
LEU A  62
HIS A 342
LEU A  83
 None
None
HEM  A 403 (-3.9A)
HEM  A 403 (-3.8A)
 1.50A 3vw7A-5cweA:
0.0		 3vw7A-5cweA:
20.88
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 PRO A 364
LEU A 138
HIS A 149
LEU A 152
 None
 1.39A 3vw7A-5hssA:
undetectable		 3vw7A-5hssA:
23.46
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.
5jw6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Aspergillus
fumigatus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 PRO A 172
LEU A 220
HIS A 130
LEU A 133
 None
 1.37A 3vw7A-5jw6A:
undetectable		 3vw7A-5jw6A:
23.84
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		4 PRO A 440
LEU A 438
HIS A 327
LEU A 330
 None
None
9JE  A 601 (-4.3A)
9JE  A 601 ( 4.3A)
 1.21A 3vw7A-5o3mA:
undetectable		 3vw7A-5o3mA:
21.54
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.
5vdk WEE1-LIKE PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 PRO A 413
LEU A 338
HIS A 258
LEU A 257
 None
 1.28A 3vw7A-5vdkA:
1.6		 3vw7A-5vdkA:
21.29
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 4 PRO A1247
LEU A1238
HIS A1079
LEU A1007
 None
 1.21A 3vw7A-6bq1A:
1.8		 3vw7A-6bq1A:
0.00
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.
6c2j RNAP1
RNAP2

(Escherichia
virus N4) 		no annotation 4 PRO B 331
LEU B 255
HIS A 163
LEU A 164
 None
 1.40A 3vw7A-6c2jB:
0.9		 3vw7A-6c2jB:
9.94
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ

(Pyrococcus
furiosus) 		no annotation 4 PRO L 373
LEU L  19
HIS J  29
LEU J  70
 None
 1.48A 3vw7A-6cfwL:
0.7		 3vw7A-6cfwL:
11.67
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 4 PRO A 483
LEU A1005
HIS A 964
LEU A 963
 None
 1.39A 3vw7A-6f9nA:
undetectable		 3vw7A-6f9nA:
16.67