SIMILAR PATTERNS OF AMINO ACIDS FOR 5C8T_B_SAMB605

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.
1c3e GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE

(Escherichia
coli) 		PF00551
(Formyl_trans_N) 		5 GLY A 207
PRO A 204
ALA A 196
PHE A 138
VAL A 180
 None
 1.28A 5c8tB-1c3eA:
3.0		 5c8tB-1c3eA:
16.01
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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 GLY A  89
ASP A   5
ALA A  91
TYR A  11
VAL A 211
 CA  A 701 ( 4.4A)
CA  A 701 (-3.2A)
None
None
None
 1.37A 5c8tB-1dbiA:
1.7		 5c8tB-1dbiA:
18.30
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.
1fft UBIQUINOL OXIDASE
UBIQUINOL OXIDASE

(Escherichia
coli;
Escherichia
coli) 		PF00115
(COX1)
PF00116
(COX2)
PF06481
(COX_ARM) 		5 GLY B 212
PRO A  96
ASP A 100
TYR B 210
VAL B 170
 None
 1.42A 5c8tB-1fftB:
0.0		 5c8tB-1fftB:
18.83
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.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 GLY A 156
ALA A 154
PHE A 160
TYR A 159
ASN A 118
 None
 1.32A 5c8tB-1rwrA:
0.0		 5c8tB-1rwrA:
18.15
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 GLY A  77
ASP A  78
ALA A  99
PHE A  96
TYR A  74
 None
 1.32A 5c8tB-1tcsA:
0.0		 5c8tB-1tcsA:
19.76
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.
1ysq HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YIAJ

(Escherichia
coli) 		PF01614
(IclR) 		5 GLY A  75
PRO A  77
ALA A  73
TYR A  71
VAL A 142
 PO4  A 303 (-3.9A)
None
None
PO4  A 303 (-4.4A)
PO4  A 303 (-4.0A)
 1.41A 5c8tB-1ysqA:
0.0		 5c8tB-1ysqA:
15.96
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.
2bx6 XRP2 PROTEIN

(Homo sapiens) 		PF07986
(TBCC) 		5 ASP A 345
ALA A 344
PHE A 340
TRP A 171
ASN A 169
 None
 1.36A 5c8tB-2bx6A:
0.0		 5c8tB-2bx6A:
20.50
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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 GLY A 151
PRO A 149
ASP A 273
ALA A 274
TYR A 280
 None
 1.47A 5c8tB-2hzkA:
undetectable		 5c8tB-2hzkA:
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 731
ALA A 416
TRP A 336
ASN A 334
VAL A 179
 None
None
MGD  A1766 (-4.3A)
None
None
 1.45A 5c8tB-2vpwA:
1.1		 5c8tB-2vpwA:
21.36
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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY A  12
ALA A 318
PHE A 317
ASN A   6
CYH A  95
 None
None
3CD  A 600 (-3.7A)
3CD  A 600 ( 4.3A)
None
 1.17A 5c8tB-2xf8A:
2.1		 5c8tB-2xf8A:
20.68
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A 221
ASP A 204
ALA A 203
PHE A 194
VAL A 253
 None
 1.37A 5c8tB-3b40A:
undetectable		 5c8tB-3b40A:
22.63
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 ASP A 251
ALA A 252
TYR A 257
CYH A 135
VAL A 258
 IMH  A 501 ( 2.6A)
None
None
None
None
 1.40A 5c8tB-3b9gA:
1.6		 5c8tB-3b9gA:
22.28
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.
3bvc UNCHARACTERIZED
PROTEIN ISM_01780

(Roseovarius
nubinhibens) 		PF13759
(2OG-FeII_Oxy_5) 		5 GLY A  45
ASP A  42
ALA A  39
ASN A  52
CYH A  49
 None
 1.34A 5c8tB-3bvcA:
undetectable		 5c8tB-3bvcA:
16.01
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A 111
PRO A 113
PHE A 126
ASN A  44
VAL A  79
 None
 1.39A 5c8tB-3c3yA:
6.0		 5c8tB-3c3yA:
17.26
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 476
ASP A 475
ALA A 504
TRP A 483
ASN A 344
 None
 1.47A 5c8tB-3l84A:
1.5		 5c8tB-3l84A:
21.84
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 GLY A 393
ASP A 230
ALA A 229
TRP A 398
VAL A 168
 None
 1.39A 5c8tB-3msuA:
undetectable		 5c8tB-3msuA:
20.00
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 PRO A 143
ALA A 145
ASN A 249
CYH A 250
VAL A 252
 None
 1.48A 5c8tB-3ntuA:
1.7		 5c8tB-3ntuA:
19.09
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		5 GLY A  34
PRO A 259
ALA A 234
TYR A  32
ASN A  52
 None
 1.31A 5c8tB-3p09A:
undetectable		 5c8tB-3p09A:
20.11
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.
3vxc PUTATIVE
SUGAR-BINDING
LIPOPROTEIN

(Streptomyces
thermoviolaceus) 		PF01547
(SBP_bac_1) 		5 GLY A 154
PHE A 133
ASN A 324
CYH A 326
VAL A 137
 None
None
BXP  A 601 (-3.3A)
None
None
 1.28A 5c8tB-3vxcA:
undetectable		 5c8tB-3vxcA:
20.46
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.
4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 GLY A 407
ALA A 436
ASN A 376
CYH A 374
VAL A 412
 None
 1.46A 5c8tB-4ay2A:
3.7		 5c8tB-4ay2A:
21.60
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.
4hn3 LMO1757 PROTEIN

(Listeria
monocytogenes) 		PF07537
(CamS) 		5 ASP A 285
ALA A 282
PHE A 279
ASN A 289
VAL A 293
 None
 1.48A 5c8tB-4hn3A:
undetectable		 5c8tB-4hn3A:
21.38
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		5 GLY A 383
PRO A  59
ALA A 783
PHE A 786
ASN A  20
 None
 1.38A 5c8tB-4j5tA:
undetectable		 5c8tB-4j5tA:
20.53
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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 GLY M 199
PRO M 228
ALA M 223
PHE M 222
TYR M 221
 None
 1.39A 5c8tB-4nzrM:
undetectable		 5c8tB-4nzrM:
22.10
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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 GLY M 199
PRO M 228
ALA M 224
PHE M 222
TYR M 221
 None
 1.19A 5c8tB-4nzrM:
undetectable		 5c8tB-4nzrM:
22.10
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.
4qo1 NB139 NANOBODY
AGAINST THE
DNA-BINDING DOMAIN
OF P53

(Lama glama) 		PF07686
(V-set) 		5 PRO A 101
ALA A  98
TRP A  54
ASN A  53
VAL A  80
 None
 1.22A 5c8tB-4qo1A:
undetectable		 5c8tB-4qo1A:
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 304
ASP A 301
ALA A  23
TYR A 147
VAL A 104
 None
 1.44A 5c8tB-4rpfA:
undetectable		 5c8tB-4rpfA:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		11 TRP B 292
GLY B 333
PRO B 335
ASP B 352
ALA B 353
PHE B 367
TYR B 368
TRP B 385
ASN B 386
CYH B 387
VAL B 389
 None
SAH  B 605 (-3.3A)
SAH  B 605 (-3.8A)
SAH  B 605 (-2.3A)
SAH  B 605 (-3.5A)
SAH  B 605 (-3.5A)
None
G3A  B 606 ( 4.1A)
G3A  B 606 ( 3.8A)
SAH  B 605 ( 3.8A)
SAH  B 605 (-4.7A)
 0.41A 5c8tB-5c8sB:
49.2		 5c8tB-5c8sB:
100.00
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.
5kxb WISTERIA FLORIBUNDA
AGGLUTININ

(Wisteria
floribunda) 		PF00139
(Lectin_legB) 		5 TRP A 163
GLY A 134
ASP A 117
ALA A 116
TYR A  74
 None
NGA  A 307 ( 3.8A)
NGA  A 307 (-2.7A)
NGA  A 307 ( 4.3A)
None
 1.46A 5c8tB-5kxbA:
undetectable		 5c8tB-5kxbA:
19.38
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 TRP A 427
GLY A 408
ALA A 392
TYR A 389
ASN A 458
 None
 1.43A 5c8tB-5msyA:
undetectable		 5c8tB-5msyA:
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.
6bo6 -

(-) 		no annotation 5 PRO A 182
ALA A  89
PHE A 110
TYR A 346
ASN A 315
 None
 1.43A 5c8tB-6bo6A:
undetectable		 5c8tB-6bo6A:
undetectable