SIMILAR PATTERNS OF AMINO ACIDS FOR 3ASN_B_CHDB1085_0

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 3asnA-1dgjA:
0.0
3asnB-1dgjA:
0.0
3asnT-1dgjA:
0.0		 3asnA-1dgjA:
20.43
3asnB-1dgjA:
13.47
3asnT-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 3asnA-1k5sB:
0.8
3asnB-1k5sB:
0.0
3asnT-1k5sB:
0.0		 3asnA-1k5sB:
20.53
3asnB-1k5sB:
17.45
3asnT-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.
1rie RIESKE IRON-SULFUR
PROTEIN

(Bos taurus) 		PF00355
(Rieske) 		5 GLN A 108
GLU A 105
ARG A 172
PHE A 153
GLY A 151
 None
 1.42A 3asnA-1rieA:
undetectable
3asnB-1rieA:
0.1
3asnT-1rieA:
0.0		 3asnA-1rieA:
12.32
3asnB-1rieA:
18.70
3asnT-1rieA:
21.49
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.
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
 1.26A 3asnA-2bufA:
0.0
3asnB-2bufA:
0.0
3asnT-2bufA:
0.0		 3asnA-2bufA:
22.06
3asnB-2bufA:
21.69
3asnT-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.
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
 1.28A 3asnA-2nlkA:
0.4
3asnB-2nlkA:
0.9
3asnT-2nlkA:
0.0		 3asnA-2nlkA:
21.20
3asnB-2nlkA:
16.56
3asnT-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.38A 3asnA-2quaA:
0.0
3asnB-2quaA:
0.5
3asnT-2quaA:
0.0		 3asnA-2quaA:
21.91
3asnB-2quaA:
15.42
3asnT-2quaA:
9.09
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.
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)
 1.45A 3asnA-2wnbA:
0.0
3asnB-2wnbA:
0.0
3asnT-2wnbA:
0.0		 3asnA-2wnbA:
17.88
3asnB-2wnbA:
18.98
3asnT-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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		5 GLY A 436
TRP A 480
GLN A 310
THR A 451
ARG A 475
 None
 1.47A 3asnA-2wokA:
0.9
3asnB-2wokA:
0.8
3asnT-2wokA:
0.0		 3asnA-2wokA:
21.99
3asnB-2wokA:
15.05
3asnT-2wokA:
9.61
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.
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
 1.39A 3asnA-2xhyA:
0.0
3asnB-2xhyA:
0.0
3asnT-2xhyA:
0.0		 3asnA-2xhyA:
20.62
3asnB-2xhyA:
18.60
3asnT-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
 1.39A 3asnA-3bt7A:
0.0
3asnB-3bt7A:
undetectable
3asnT-3bt7A:
undetectable		 3asnA-3bt7A:
20.94
3asnB-3bt7A:
20.40
3asnT-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
 1.30A 3asnA-3ce6A:
0.0
3asnB-3ce6A:
undetectable
3asnT-3ce6A:
undetectable		 3asnA-3ce6A:
22.59
3asnB-3ce6A:
18.09
3asnT-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
 1.42A 3asnA-3cvrA:
undetectable
3asnB-3cvrA:
undetectable
3asnT-3cvrA:
undetectable		 3asnA-3cvrA:
22.78
3asnB-3cvrA:
18.50
3asnT-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
 1.31A 3asnA-3fgbA:
undetectable
3asnB-3fgbA:
undetectable
3asnT-3fgbA:
undetectable		 3asnA-3fgbA:
20.44
3asnB-3fgbA:
21.47
3asnT-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.
3jzv UNCHARACTERIZED
PROTEIN RRU_A2000

(Rhodospirillum
rubrum) 		PF07883
(Cupin_2) 		5 GLY A 118
GLN A  14
GLU A  57
THR A  39
GLY A  62
 None
 1.45A 3asnA-3jzvA:
undetectable
3asnB-3jzvA:
undetectable
3asnT-3jzvA:
undetectable		 3asnA-3jzvA:
14.20
3asnB-3jzvA:
18.18
3asnT-3jzvA:
18.01
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.
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
 1.10A 3asnA-3s9bA:
undetectable
3asnB-3s9bA:
undetectable
3asnT-3s9bA:
undetectable		 3asnA-3s9bA:
19.00
3asnB-3s9bA:
21.01
3asnT-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
 1.36A 3asnA-3wy7A:
0.2
3asnB-3wy7A:
undetectable
3asnT-3wy7A:
undetectable		 3asnA-3wy7A:
21.19
3asnB-3wy7A:
19.49
3asnT-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
 1.39A 3asnA-4cgyA:
1.5
3asnB-4cgyA:
undetectable
3asnT-4cgyA:
undetectable		 3asnA-4cgyA:
20.21
3asnB-4cgyA:
12.96
3asnT-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
 1.32A 3asnA-4cu8A:
undetectable
3asnB-4cu8A:
undetectable
3asnT-4cu8A:
undetectable		 3asnA-4cu8A:
20.58
3asnB-4cu8A:
14.29
3asnT-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
 1.45A 3asnA-4cu8A:
undetectable
3asnB-4cu8A:
undetectable
3asnT-4cu8A:
undetectable		 3asnA-4cu8A:
20.58
3asnB-4cu8A:
14.29
3asnT-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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 GLY A 315
THR A 433
THR A 434
PHE A 493
GLY A 492
 None
 1.18A 3asnA-4j05A:
0.6
3asnB-4j05A:
undetectable
3asnT-4j05A:
undetectable		 3asnA-4j05A:
23.83
3asnB-4j05A:
17.55
3asnT-4j05A:
10.88
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.34A 3asnA-4qdgA:
undetectable
3asnB-4qdgA:
undetectable
3asnT-4qdgA:
undetectable		 3asnA-4qdgA:
20.49
3asnB-4qdgA:
23.20
3asnT-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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B  39
THR B  73
ARG B  94
PHE B 100
GLY B  92
 None
 1.19A 3asnA-5gq0B:
undetectable
3asnB-5gq0B:
undetectable
3asnT-5gq0B:
undetectable		 3asnA-5gq0B:
20.15
3asnB-5gq0B:
18.62
3asnT-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.
5u39 UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		5 MET A  83
GLY A  85
GLN A 115
PHE A 112
GLY A 108
 None
 1.35A 3asnA-5u39A:
undetectable
3asnB-5u39A:
undetectable
3asnT-5u39A:
undetectable		 3asnA-5u39A:
18.96
3asnB-5u39A:
22.26
3asnT-5u39A:
13.18
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 3asnA-5yb7A:
0.6
3asnB-5yb7A:
undetectable
3asnT-5yb7A:
undetectable		 3asnA-5yb7A:
undetectable
3asnB-5yb7A:
undetectable
3asnT-5yb7A:
undetectable