SIMILAR PATTERNS OF AMINO ACIDS FOR 4PCU_B_SAMB603

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.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 LEU A 221
PHE A 220
VAL A 224
ILE A 266
ASP A 267
 None
 1.48A 4pcuA-1ecgA:
0.0
4pcuB-1ecgA:
1.6		 4pcuA-1ecgA:
22.68
4pcuB-1ecgA:
22.68
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.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 PHE A 540
ASP A 539
VAL A 458
THR A 474
ILE A 472
 None
 1.45A 4pcuA-1k2pA:
undetectable
4pcuB-1k2pA:
0.0		 4pcuA-1k2pA:
18.77
4pcuB-1k2pA:
18.77
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.
2i99 MU-CRYSTALLIN
HOMOLOG

(Homo sapiens) 		PF02423
(OCD_Mu_crystall) 		5 ASP A 111
LEU A  59
THR A 116
ILE A 115
ASP A 299
 None
None
NDP  A 502 (-4.8A)
None
None
 1.50A 4pcuA-2i99A:
3.8
4pcuB-2i99A:
1.4		 4pcuA-2i99A:
21.12
4pcuB-2i99A:
21.12
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 284
GLN A 915
VAL A 300
ILE A 281
ASP A 303
 MGD  A1986 (-3.0A)
None
MGD  A1986 ( 4.0A)
MGD  A1986 (-4.1A)
MGD  A1986 (-2.9A)
 1.00A 4pcuA-2ivfA:
0.0
4pcuB-2ivfA:
1.4		 4pcuA-2ivfA:
19.32
4pcuB-2ivfA:
19.32
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.
2rb9 HYPE PROTEIN

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 176
ASP A 199
VAL A 255
THR A 182
ILE A 183
 None
 1.21A 4pcuA-2rb9A:
0.0
4pcuB-2rb9A:
0.0		 4pcuA-2rb9A:
22.06
4pcuB-2rb9A:
22.06
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 LEU A  57
GLN A  56
VAL A  42
THR A  44
ILE A  46
 None
 1.48A 4pcuA-2veoA:
1.0
4pcuB-2veoA:
1.3		 4pcuA-2veoA:
22.81
4pcuB-2veoA:
22.81
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.
2xtl CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 LEU A 253
ASP A 279
GLN A 280
THR A 376
ILE A 415
 None
 1.43A 4pcuA-2xtlA:
0.0
4pcuB-2xtlA:
0.0		 4pcuA-2xtlA:
22.80
4pcuB-2xtlA:
22.80
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ASP A 496
LEU A 403
PHE A 454
ASP A 453
ILE A 396
 MN  A 801 ( 4.5A)
None
None
MN  A 801 (-2.6A)
None
 1.36A 4pcuA-3a9sA:
1.8
4pcuB-3a9sA:
1.9		 4pcuA-3a9sA:
22.76
4pcuB-3a9sA:
22.76
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.
3oet ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 LEU A 103
VAL A 230
THR A 252
ILE A 255
ASP A 232
 None
None
None
None
NAD  A 379 (-4.1A)
 1.49A 4pcuA-3oetA:
0.3
4pcuB-3oetA:
1.6		 4pcuA-3oetA:
21.25
4pcuB-3oetA:
21.25
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 ASP A 576
LEU A 637
PHE A 325
VAL A 581
ILE A 574
 None
 1.39A 4pcuA-3pvcA:
5.7
4pcuB-3pvcA:
5.5		 4pcuA-3pvcA:
21.87
4pcuB-3pvcA:
21.87
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.
3qr3 ENDOGLUCANASE EG-II

(Trichoderma
reesei) 		PF00150
(Cellulase) 		5 ASP A 102
LEU A 213
ASP A 216
VAL A 161
ILE A 103
 None
 1.44A 4pcuA-3qr3A:
1.5
4pcuB-3qr3A:
undetectable		 4pcuA-3qr3A:
19.89
4pcuB-3qr3A:
19.89
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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		5 LEU A 339
PHE A 317
VAL A 368
THR A 331
ILE A 303
 None
 1.08A 4pcuA-3tr1A:
undetectable
4pcuB-3tr1A:
undetectable		 4pcuA-3tr1A:
22.35
4pcuB-3tr1A:
22.35
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.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		5 LEU A 132
PHE A 133
ASP A  46
VAL A  32
ILE A  52
 None
 1.21A 4pcuA-3vb0A:
undetectable
4pcuB-3vb0A:
undetectable		 4pcuA-3vb0A:
19.31
4pcuB-3vb0A:
19.31
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 PHE A 499
ASP A 503
GLN A 510
VAL A 174
ILE A 154
 None
GOL  A 601 ( 2.8A)
GOL  A 601 (-3.4A)
None
None
 1.42A 4pcuA-4f7aA:
undetectable
4pcuB-4f7aA:
undetectable		 4pcuA-4f7aA:
23.32
4pcuB-4f7aA:
23.32
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.
4flc ADENYLOSUCCINATE
LYASE

(Homo sapiens) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 PHE A  36
VAL A 115
THR A 119
ILE A 123
ASP A 120
 None
 1.08A 4pcuA-4flcA:
undetectable
4pcuB-4flcA:
undetectable		 4pcuA-4flcA:
22.47
4pcuB-4flcA:
22.47
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PHE A 370
ASP A 367
VAL A 251
THR A 223
ILE A 224
 None
 0.99A 4pcuA-4g1pA:
1.2
4pcuB-4g1pA:
1.1		 4pcuA-4g1pA:
23.39
4pcuB-4g1pA:
23.39
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.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		5 LEU A 245
PHE A 341
VAL A 330
THR A 338
ILE A 296
 None
 1.46A 4pcuA-4ifaA:
undetectable
4pcuB-4ifaA:
undetectable		 4pcuA-4ifaA:
22.04
4pcuB-4ifaA:
22.04
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.
4ipa PUTATIVE CURVED
DNA-BINDING PROTEIN

(Chaetomium
thermophilum) 		PF00557
(Peptidase_M24) 		5 LEU A 147
PHE A 362
THR A 126
ILE A 127
ASP A 125
 None
 1.35A 4pcuA-4ipaA:
undetectable
4pcuB-4ipaA:
undetectable		 4pcuA-4ipaA:
22.59
4pcuB-4ipaA:
22.59
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.
4uuu CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00571
(CBS) 		7 LEU A 423
PHE A 443
ASP A 444
VAL A 533
THR A 535
ILE A 537
ASP A 538
 SAM  A1546 (-4.5A)
SAM  A1546 (-3.5A)
SAM  A1546 ( 3.2A)
SAM  A1546 (-4.5A)
SAM  A1546 (-2.9A)
None
SAM  A1546 ( 2.9A)
 0.64A 4pcuA-4uuuA:
3.0
4pcuB-4uuuA:
19.3		 4pcuA-4uuuA:
27.93
4pcuB-4uuuA:
27.93
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.
4uuu CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00571
(CBS) 		7 PHE A 443
ASP A 444
GLN A 445
VAL A 533
THR A 535
ILE A 537
ASP A 538
 SAM  A1546 (-3.5A)
SAM  A1546 ( 3.2A)
SAM  A1546 (-3.0A)
SAM  A1546 (-4.5A)
SAM  A1546 (-2.9A)
None
SAM  A1546 ( 2.9A)
 0.68A 4pcuA-4uuuA:
3.0
4pcuB-4uuuA:
19.3		 4pcuA-4uuuA:
27.93
4pcuB-4uuuA:
27.93
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 LEU A 256
ASP A 155
VAL A 251
THR A 217
ILE A 216
 None
None
None
ANP  A 401 (-3.5A)
None
 1.49A 4pcuA-4wjmA:
2.6
4pcuB-4wjmA:
2.4		 4pcuA-4wjmA:
21.48
4pcuB-4wjmA:
21.48
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.
5e6p PLEXIN-B2

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 ASP A1299
LEU A1795
VAL A1360
ILE A1302
ASP A1286
 None
 1.45A 4pcuA-5e6pA:
undetectable
4pcuB-5e6pA:
undetectable		 4pcuA-5e6pA:
23.21
4pcuB-5e6pA:
23.21
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.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22) 		5 LEU A 126
GLN A 134
VAL A 145
THR A 316
ILE A 108
 None
 1.34A 4pcuA-5jmvA:
undetectable
4pcuB-5jmvA:
undetectable		 4pcuA-5jmvA:
21.15
4pcuB-5jmvA:
21.15