SIMILAR PATTERNS OF AMINO ACIDS FOR 3ASO_B_CHDB1085

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 699
GLN A 657
ARG A 535
PHE A 423
GLY A 424
 MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
 1.10A 3asoA-1dgjA:
0.0
3asoB-1dgjA:
0.0
3asoT-1dgjA:
0.0		 3asoA-1dgjA:
20.43
3asoB-1dgjA:
13.47
3asoT-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.
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 3asoA-1dgjA:
0.0
3asoB-1dgjA:
0.0
3asoT-1dgjA:
0.0		 3asoA-1dgjA:
20.43
3asoB-1dgjA:
13.47
3asoT-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
 1.19A 3asoA-1k5sB:
2.8
3asoB-1k5sB:
0.0
3asoT-1k5sB:
0.0		 3asoA-1k5sB:
20.53
3asoB-1k5sB:
17.45
3asoT-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
 1.39A 3asoA-1rieA:
undetectable
3asoB-1rieA:
0.1
3asoT-1rieA:
0.0		 3asoA-1rieA:
12.32
3asoB-1rieA:
18.70
3asoT-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
 1.27A 3asoA-2bufA:
0.0
3asoB-2bufA:
0.0
3asoT-2bufA:
0.0		 3asoA-2bufA:
22.06
3asoB-2bufA:
21.69
3asoT-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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A 123
GLN A  89
THR A 228
THR A 168
GLY A  93
 None
 1.29A 3asoA-2d42A:
undetectable
3asoB-2d42A:
0.0
3asoT-2d42A:
0.0		 3asoA-2d42A:
20.24
3asoB-2d42A:
22.30
3asoT-2d42A:
14.80
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.
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
 1.49A 3asoA-2h88A:
1.9
3asoB-2h88A:
0.0
3asoT-2h88A:
0.0		 3asoA-2h88A:
22.47
3asoB-2h88A:
17.01
3asoT-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
 1.26A 3asoA-2nlkA:
0.0
3asoB-2nlkA:
1.1
3asoT-2nlkA:
0.0		 3asoA-2nlkA:
21.20
3asoB-2nlkA:
16.56
3asoT-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 3asoA-2quaA:
0.0
3asoB-2quaA:
0.5
3asoT-2quaA:
0.0		 3asoA-2quaA:
21.91
3asoB-2quaA:
15.42
3asoT-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)
 1.46A 3asoA-2wnbA:
0.0
3asoB-2wnbA:
0.0
3asoT-2wnbA:
0.0		 3asoA-2wnbA:
17.88
3asoB-2wnbA:
18.98
3asoT-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
 1.48A 3asoA-2wokA:
1.0
3asoB-2wokA:
undetectable
3asoT-2wokA:
undetectable		 3asoA-2wokA:
21.99
3asoB-2wokA:
15.05
3asoT-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.
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
 1.41A 3asoA-3bt7A:
0.0
3asoB-3bt7A:
undetectable
3asoT-3bt7A:
undetectable		 3asoA-3bt7A:
20.94
3asoB-3bt7A:
20.40
3asoT-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 3asoA-3ce6A:
undetectable
3asoB-3ce6A:
undetectable
3asoT-3ce6A:
undetectable		 3asoA-3ce6A:
22.59
3asoB-3ce6A:
18.09
3asoT-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 3asoA-3cvrA:
undetectable
3asoB-3cvrA:
undetectable
3asoT-3cvrA:
undetectable		 3asoA-3cvrA:
22.78
3asoB-3cvrA:
18.50
3asoT-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
 1.29A 3asoA-3fgbA:
undetectable
3asoB-3fgbA:
undetectable
3asoT-3fgbA:
undetectable		 3asoA-3fgbA:
20.44
3asoB-3fgbA:
21.47
3asoT-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
 1.12A 3asoA-3s9bA:
undetectable
3asoB-3s9bA:
undetectable
3asoT-3s9bA:
undetectable		 3asoA-3s9bA:
19.00
3asoB-3s9bA:
21.01
3asoT-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
 1.37A 3asoA-3wy7A:
0.9
3asoB-3wy7A:
undetectable
3asoT-3wy7A:
undetectable		 3asoA-3wy7A:
21.19
3asoB-3wy7A:
19.49
3asoT-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
 1.40A 3asoA-4cgyA:
1.6
3asoB-4cgyA:
undetectable
3asoT-4cgyA:
undetectable		 3asoA-4cgyA:
20.21
3asoB-4cgyA:
12.96
3asoT-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
 1.34A 3asoA-4cu8A:
undetectable
3asoB-4cu8A:
undetectable
3asoT-4cu8A:
undetectable		 3asoA-4cu8A:
20.58
3asoB-4cu8A:
14.29
3asoT-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
 1.47A 3asoA-4cu8A:
undetectable
3asoB-4cu8A:
undetectable
3asoT-4cu8A:
undetectable		 3asoA-4cu8A:
20.58
3asoB-4cu8A:
14.29
3asoT-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.
4ix9 V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		5 GLY A  26
THR A  16
THR A  18
ARG A  61
PHE A  38
 TRS  A 101 (-3.5A)
None
None
None
None
 1.47A 3asoA-4ix9A:
undetectable
3asoB-4ix9A:
undetectable
3asoT-4ix9A:
undetectable		 3asoA-4ix9A:
10.32
3asoB-4ix9A:
18.72
3asoT-4ix9A:
19.59
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.
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 3asoA-4j05A:
0.1
3asoB-4j05A:
undetectable
3asoT-4j05A:
undetectable		 3asoA-4j05A:
23.83
3asoB-4j05A:
17.55
3asoT-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
 1.35A 3asoA-4qdgA:
undetectable
3asoB-4qdgA:
undetectable
3asoT-4qdgA:
undetectable		 3asoA-4qdgA:
20.49
3asoB-4qdgA:
23.20
3asoT-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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1088
GLN A1049
ARG A 921
PHE A 807
GLY A 808
 MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
 1.00A 3asoA-5epgA:
0.0
3asoB-5epgA:
undetectable
3asoT-5epgA:
undetectable		 3asoA-5epgA:
16.15
3asoB-5epgA:
11.18
3asoT-5epgA:
5.22
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
 1.21A 3asoA-5gq0B:
undetectable
3asoB-5gq0B:
undetectable
3asoT-5gq0B:
undetectable		 3asoA-5gq0B:
20.15
3asoB-5gq0B:
18.62
3asoT-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.
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
 1.44A 3asoA-5yb7A:
0.9
3asoB-5yb7A:
undetectable
3asoT-5yb7A:
undetectable		 3asoA-5yb7A:
undetectable
3asoB-5yb7A:
undetectable
3asoT-5yb7A:
undetectable