SIMILAR PATTERNS OF AMINO ACIDS FOR 1V54_B_CHDB4085

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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 866
GLN A 657
THR A 706
ARG A 535
GLY A 699
 MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
 1.32A 1v54A-1dgjA:
0.0
1v54B-1dgjA:
0.0
1v54T-1dgjA:
0.0		 1v54A-1dgjA:
20.43
1v54B-1dgjA:
13.47
1v54T-1dgjA:
6.46
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.18A 1v54A-1k5sB:
2.8
1v54B-1k5sB:
0.0
1v54T-1k5sB:
0.0		 1v54A-1k5sB:
20.53
1v54B-1k5sB:
17.45
1v54T-1k5sB:
12.50
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 GLY A  67
GLN A  71
GLU A  40
ARG A  90
GLY A 105
 NLG  A1302 (-3.3A)
None
None
NLG  A1302 (-4.3A)
None
 1.28A 1v54A-2bufA:
1.2
1v54B-2bufA:
0.0
1v54T-2bufA:
0.0		 1v54A-2bufA:
22.06
1v54B-2bufA:
21.69
1v54T-2bufA:
14.04
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLU A 436
THR A 431
ARG A 205
ARG A 189
GLY A 391
 None
 1.48A 1v54A-2h88A:
1.8
1v54B-2h88A:
0.0
1v54T-2h88A:
0.0		 1v54A-2h88A:
22.47
1v54B-2h88A:
17.01
1v54T-2h88A:
9.54
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 MET A1029
GLY A1030
TRP A1026
GLN A1104
THR A1069
 None
 1.27A 1v54A-2nlkA:
0.0
1v54B-2nlkA:
1.2
1v54T-2nlkA:
0.0		 1v54A-2nlkA:
21.20
1v54B-2nlkA:
16.56
1v54T-2nlkA:
8.51
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 GLY A 291
THR A 328
ARG A 171
PHE A 192
GLY A 273
 None
None
None
None
C5P  A1344 (-3.2A)
 1.48A 1v54A-2wnbA:
0.0
1v54B-2wnbA:
0.0
1v54T-2wnbA:
0.0		 1v54A-2wnbA:
17.88
1v54B-2wnbA:
18.98
1v54T-2wnbA:
14.73
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.35A 1v54A-2xhyA:
0.0
1v54B-2xhyA:
0.0
1v54T-2xhyA:
0.0		 1v54A-2xhyA:
20.62
1v54B-2xhyA:
18.60
1v54T-2xhyA:
10.37
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.40A 1v54A-3bt7A:
0.0
1v54B-3bt7A:
0.0
1v54T-3bt7A:
0.0		 1v54A-3bt7A:
20.94
1v54B-3bt7A:
20.40
1v54T-3bt7A:
13.92
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.27A 1v54A-3ce6A:
0.0
1v54B-3ce6A:
0.0
1v54T-3ce6A:
0.0		 1v54A-3ce6A:
22.59
1v54B-3ce6A:
18.09
1v54T-3ce6A:
12.00
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.43A 1v54A-3cvrA:
undetectable
1v54B-3cvrA:
undetectable
1v54T-3cvrA:
undetectable		 1v54A-3cvrA:
22.78
1v54B-3cvrA:
18.50
1v54T-3cvrA:
9.07
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.32A 1v54A-3fgbA:
undetectable
1v54B-3fgbA:
undetectable
1v54T-3fgbA:
undetectable		 1v54A-3fgbA:
20.44
1v54B-3fgbA:
21.47
1v54T-3fgbA:
13.33
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ARG A 137
ARG A 135
PHE A 161
GLY A 184
 None
 1.08A 1v54A-3s9bA:
undetectable
1v54B-3s9bA:
undetectable
1v54T-3s9bA:
undetectable		 1v54A-3s9bA:
19.00
1v54B-3s9bA:
21.01
1v54T-3s9bA:
15.53
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.38A 1v54A-3wy7A:
0.0
1v54B-3wy7A:
undetectable
1v54T-3wy7A:
undetectable		 1v54A-3wy7A:
21.19
1v54B-3wy7A:
19.49
1v54T-3wy7A:
12.93
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.43A 1v54A-4cgyA:
1.6
1v54B-4cgyA:
undetectable
1v54T-4cgyA:
undetectable		 1v54A-4cgyA:
20.21
1v54B-4cgyA:
12.96
1v54T-4cgyA:
9.36
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.31A 1v54A-4cu8A:
undetectable
1v54B-4cu8A:
undetectable
1v54T-4cu8A:
undetectable		 1v54A-4cu8A:
20.58
1v54B-4cu8A:
14.29
1v54T-4cu8A:
7.93
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.43A 1v54A-4cu8A:
undetectable
1v54B-4cu8A:
undetectable
1v54T-4cu8A:
undetectable		 1v54A-4cu8A:
20.58
1v54B-4cu8A:
14.29
1v54T-4cu8A:
7.93
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 MET A 149
GLY A 148
GLN A 175
ARG A  44
GLY A 184
 GST  A 302 ( 4.1A)
None
None
IPE  A 301 (-3.1A)
None
 1.30A 1v54A-4llsA:
0.6
1v54B-4llsA:
undetectable
1v54T-4llsA:
undetectable		 1v54A-4llsA:
20.31
1v54B-4llsA:
22.93
1v54T-4llsA:
14.29
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.36A 1v54A-4qdgA:
undetectable
1v54B-4qdgA:
undetectable
1v54T-4qdgA:
undetectable		 1v54A-4qdgA:
20.49
1v54B-4qdgA:
23.20
1v54T-4qdgA:
13.97
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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 GLY A 486
THR A 253
ARG A 469
ARG A 468
GLY A 424
 None
 1.27A 1v54A-4x1zA:
undetectable
1v54B-4x1zA:
undetectable
1v54T-4x1zA:
undetectable		 1v54A-4x1zA:
21.03
1v54B-4x1zA:
19.71
1v54T-4x1zA:
12.26
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 323
THR A 359
THR A 360
PHE A 594
GLY A 593
 None
 1.48A 1v54A-5dmyA:
undetectable
1v54B-5dmyA:
undetectable
1v54T-5dmyA:
undetectable		 1v54A-5dmyA:
19.59
1v54B-5dmyA:
12.15
1v54T-5dmyA:
7.13
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B  39
THR B  73
ARG B  94
PHE B 100
GLY B  92
 None
 1.23A 1v54A-5gq0B:
undetectable
1v54B-5gq0B:
undetectable
1v54T-5gq0B:
undetectable		 1v54A-5gq0B:
20.15
1v54B-5gq0B:
18.62
1v54T-5gq0B:
12.46
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.
5k1b WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF11816
(DUF3337) 		5 GLY B  49
THR B 317
THR B 316
ARG B  30
GLY B 359
 None
 1.46A 1v54A-5k1bB:
undetectable
1v54B-5k1bB:
undetectable
1v54T-5k1bB:
undetectable		 1v54A-5k1bB:
20.86
1v54B-5k1bB:
15.62
1v54T-5k1bB:
9.01
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.44A 1v54A-5kqiA:
undetectable
1v54B-5kqiA:
undetectable
1v54T-5kqiA:
undetectable		 1v54A-5kqiA:
20.60
1v54B-5kqiA:
16.18
1v54T-5kqiA:
8.52
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 GLY A  83
THR A 333
THR A 331
PHE A 161
GLY A 277
 HEM  A 800 (-3.7A)
None
None
None
None
 1.48A 1v54A-5whsA:
0.1
1v54B-5whsA:
undetectable
1v54T-5whsA:
undetectable		 1v54A-5whsA:
undetectable
1v54B-5whsA:
undetectable
1v54T-5whsA:
undetectable
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 GLY A 519
GLU A 518
THR A  16
THR A 252
PHE A  22
 None
 1.45A 1v54A-5yb7A:
0.8
1v54B-5yb7A:
undetectable
1v54T-5yb7A:
undetectable		 1v54A-5yb7A:
undetectable
1v54B-5yb7A:
undetectable
1v54T-5yb7A:
undetectable
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		5 GLY B 400
GLU B 406
THR B 409
PHE B  93
GLY B  96
 None
 1.38A 1v54A-6reqB:
undetectable
1v54B-6reqB:
undetectable
1v54T-6reqB:
undetectable		 1v54A-6reqB:
22.06
1v54B-6reqB:
16.19
1v54T-6reqB:
8.67