SIMILAR PATTERNS OF AMINO ACIDS FOR 3GVU_A_STIA1001_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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 VAL A1364
ILE A1393
TYR A1452
MET A1451
 None
 1.12A 3gvuA-1e6yA:
undetectable		 3gvuA-1e6yA:
21.28
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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		4 LYS A 239
VAL A  85
ILE A 195
TYR A 305
 None
 1.28A 3gvuA-1epxA:
undetectable		 3gvuA-1epxA:
21.61
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		4 VAL A   2
ILE A 136
TYR A 111
MET A 144
 None
 1.50A 3gvuA-1j31A:
undetectable		 3gvuA-1j31A:
23.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LYS A 222
VAL A 239
ILE A 264
TYR A 268
 None
 0.51A 3gvuA-1k9aA:
32.0		 3gvuA-1k9aA:
31.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 VAL A 239
ILE A 264
TYR A 268
MET A 269
 None
 0.66A 3gvuA-1k9aA:
32.0		 3gvuA-1k9aA:
31.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LYS A 290
VAL A 308
ILE A 332
MET A 337
 P16  A   2 (-4.5A)
None
P16  A   2 (-4.1A)
None
 0.60A 3gvuA-1opkA:
35.4		 3gvuA-1opkA:
54.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS X  39
ILE X  80
TYR X  84
MET X  85
 STU  X 902 (-3.1A)
None
STU  X 902 (-4.6A)
None
 0.73A 3gvuA-2dq7X:
31.9		 3gvuA-2dq7X:
43.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS A 273
VAL A 291
ILE A 314
MET A 319
 1BM  A 499 (-3.8A)
None
1BM  A 499 (-3.9A)
None
 0.73A 3gvuA-2hk5A:
27.4		 3gvuA-2hk5A:
44.48
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 VAL A 371
ILE A 364
TYR A 824
MET A 829
 None
 1.39A 3gvuA-2iujA:
undetectable		 3gvuA-2iujA:
17.21
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.
2wlc POLYSIALIC ACID
O-ACETYLTRANSFERASE

(Neisseria
meningitidis) 		PF00132
(Hexapep) 		4 VAL A 189
ILE A 193
TYR A 200
MET A 199
 None
 0.96A 3gvuA-2wlcA:
undetectable		 3gvuA-2wlcA:
21.14
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.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A  49
VAL A  69
ILE A  93
TYR A  97
 None
None
None
J60  A1294 (-4.5A)
 1.08A 3gvuA-2xikA:
19.2		 3gvuA-2xikA:
29.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 LYS A 653
ILE A 697
TYR A 701
MET A 702
 Q9G  A1898 (-4.8A)
Q9G  A1898 ( 4.6A)
Q9G  A1898 (-4.8A)
None
 0.44A 3gvuA-2xyuA:
28.0		 3gvuA-2xyuA:
36.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LYS A 222
VAL A 239
ILE A 264
TYR A 268
 None
 0.51A 3gvuA-3d7uA:
28.3		 3gvuA-3d7uA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 VAL A 239
ILE A 264
TYR A 268
MET A 269
 None
 0.65A 3gvuA-3d7uA:
28.3		 3gvuA-3d7uA:
43.05
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.
3fho ATP-DEPENDENT RNA
HELICASE DBP5

(Schizosaccharomyces
pombe) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 VAL A 421
ILE A 446
TYR A 330
MET A 331
 None
 1.16A 3gvuA-3fhoA:
undetectable		 3gvuA-3fhoA:
15.69
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LYS A  79
VAL A 427
ILE A  50
TYR A  67
 None
 1.19A 3gvuA-3ho8A:
undetectable		 3gvuA-3ho8A:
14.02
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.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN

(Pyrococcus
horikoshii) 		PF04016
(DUF364)
PF13938
(DUF4213) 		4 VAL A 128
ILE A 168
TYR A 244
MET A 217
 None
 1.49A 3gvuA-3npgA:
undetectable		 3gvuA-3npgA:
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.
3ufx SUCCINYL-COA
SYNTHETASE BETA
SUBUNIT

(Thermus
aquaticus) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		4 VAL B 288
ILE B 253
TYR B 360
MET B 359
 None
 1.47A 3gvuA-3ufxB:
undetectable		 3gvuA-3ufxB:
22.84
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		4 LYS A  40
VAL A  68
ILE A  41
MET A   1
 None
 1.47A 3gvuA-3x2zA:
undetectable		 3gvuA-3x2zA:
22.30
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 VAL A 815
ILE A 838
TYR A 747
MET A 746
 None
 1.27A 3gvuA-4b56A:
undetectable		 3gvuA-4b56A:
16.73
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.
4ej4 DELTA-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Mus musculus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 VAL A 272
ILE A 226
TYR A 147
MET A 236
 None
 1.42A 3gvuA-4ej4A:
undetectable		 3gvuA-4ej4A:
19.12
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 VAL A 417
ILE A 459
TYR A 540
MET A 537
 None
 1.29A 3gvuA-4fnqA:
undetectable		 3gvuA-4fnqA:
16.60
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.
4fzd SERINE/THREONINE-PRO
TEIN KINASE MST4

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS B  53
VAL B  73
ILE B  97
TYR B 101
 None
None
None
GOL  B1000 (-4.0A)
 1.05A 3gvuA-4fzdB:
25.0		 3gvuA-4fzdB:
27.27
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		4 LYS B  43
VAL B 267
ILE B  47
MET B 311
 None
 1.48A 3gvuA-4hdsB:
undetectable		 3gvuA-4hdsB:
21.76
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.
4k73 L,D-TRANSPEPTIDASE

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		4 LYS A 189
VAL A  48
ILE A 263
TYR A 184
 None
CA  A 301 (-4.9A)
None
None
 1.30A 3gvuA-4k73A:
undetectable		 3gvuA-4k73A:
22.88
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.
4krt AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25)
PF08239
(SH3_3) 		4 LYS A 130
VAL A  63
ILE A 202
TYR A 152
 None
 1.48A 3gvuA-4krtA:
undetectable		 3gvuA-4krtA:
23.45
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.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		4 LYS A 130
VAL A  63
ILE A 202
TYR A 152
 None
 1.29A 3gvuA-4kruA:
undetectable		 3gvuA-4kruA:
23.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 VAL A 313
ILE A 336
TYR A 340
MET A 341
 None
VGG  A 601 (-4.2A)
VGG  A 601 ( 4.0A)
None
 0.96A 3gvuA-4lggA:
30.0		 3gvuA-4lggA:
46.42
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.
4s1n PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00551
(Formyl_trans_N) 		4 VAL A 146
ILE A 130
TYR A  82
MET A  83
 None
 1.29A 3gvuA-4s1nA:
undetectable		 3gvuA-4s1nA:
21.95
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT M

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 LYS M 331
VAL A 443
ILE M 325
MET M 277
 None
 1.15A 3gvuA-5a5tM:
undetectable		 3gvuA-5a5tM:
22.37
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.
5abj VP2

(Enterovirus A) 		PF00073
(Rhv) 		4 VAL B 110
ILE B 238
TYR B 197
MET B 198
 None
 0.90A 3gvuA-5abjB:
undetectable		 3gvuA-5abjB:
19.02
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.
5c8c VP0

(Enterovirus A) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		4 VAL B 179
ILE B 307
TYR B 266
MET B 267
 None
 0.91A 3gvuA-5c8cB:
undetectable		 3gvuA-5c8cB:
18.95
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 VAL A 399
ILE A 304
TYR A 308
MET A 309
 None
 1.29A 3gvuA-5elxA:
undetectable		 3gvuA-5elxA:
21.58
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 VAL A 759
ILE A 784
TYR A 694
MET A 693
 None
 1.27A 3gvuA-5gz4A:
undetectable		 3gvuA-5gz4A:
17.93
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		4 LYS A1219
VAL A 942
ILE A1224
TYR A1266
 None
 1.48A 3gvuA-5hccA:
undetectable		 3gvuA-5hccA:
15.62
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.
5ixm LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04390
(LptE)
PF04453
(OstA_C) 		4 LYS A 397
VAL B  67
ILE A 415
TYR A 418
 None
 1.49A 3gvuA-5ixmA:
undetectable		 3gvuA-5ixmA:
17.88
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 VAL B4110
ILE B4069
TYR B4047
MET B4017
 None
 1.38A 3gvuA-5lp8B:
undetectable		 3gvuA-5lp8B:
24.07
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.
5lxv SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		4 LYS A 104
VAL A  55
ILE A  58
TYR A 151
 None
 1.47A 3gvuA-5lxvA:
undetectable		 3gvuA-5lxvA:
21.65
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.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 VAL A 339
ILE A 345
TYR A 145
MET A 150
 None
 1.31A 3gvuA-5macA:
undetectable		 3gvuA-5macA:
20.08
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.
5ua0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 VAL A  49
ILE A  38
TYR A 260
MET A 146
 None
 1.38A 3gvuA-5ua0A:
undetectable		 3gvuA-5ua0A:
20.44
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.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 4 LYS A 267
VAL A 258
ILE A 264
MET A 202
 None
 1.01A 3gvuA-6cn0A:
undetectable		 3gvuA-6cn0A:
15.49
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.
6eqn TRYPTOPHAN SYNTHASE
BETA CHAIN 2

(Sulfobacillus) 		no annotation 4 VAL B 328
ILE B 323
TYR B 306
MET B 317
 None
 1.39A 3gvuA-6eqnB:
undetectable		 3gvuA-6eqnB:
14.18