SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG3_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 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 3ag3A-1dgjA:
0.0
3ag3B-1dgjA:
0.0
3ag3T-1dgjA:
0.0		 3ag3A-1dgjA:
20.43
3ag3B-1dgjA:
13.47
3ag3T-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
 1.14A 3ag3A-1k5sB:
0.1
3ag3B-1k5sB:
0.0
3ag3T-1k5sB:
0.0		 3ag3A-1k5sB:
20.53
3ag3B-1k5sB:
17.45
3ag3T-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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A  79
GLN A  62
GLU A  80
PHE A 464
GLY A 190
 None
None
None
None
FAD  A 501 (-3.4A)
 1.45A 3ag3A-1zr6A:
0.0
3ag3B-1zr6A:
0.0
3ag3T-1zr6A:
0.0		 3ag3A-1zr6A:
21.86
3ag3B-1zr6A:
17.47
3ag3T-1zr6A:
10.75
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
 1.37A 3ag3A-2bufA:
0.0
3ag3B-2bufA:
0.0
3ag3T-2bufA:
0.0		 3ag3A-2bufA:
22.06
3ag3B-2bufA:
21.69
3ag3T-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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus;
Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLY B 582
GLN B 517
GLU B 580
ARG B 499
GLY A 196
 None
 1.31A 3ag3A-2rhqB:
0.0
3ag3B-2rhqB:
0.0
3ag3T-2rhqB:
0.0		 3ag3A-2rhqB:
21.17
3ag3B-2rhqB:
15.60
3ag3T-2rhqB:
7.14
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
 1.38A 3ag3A-2xhyA:
0.2
3ag3B-2xhyA:
0.0
3ag3T-2xhyA:
0.0		 3ag3A-2xhyA:
20.62
3ag3B-2xhyA:
18.60
3ag3T-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
 1.38A 3ag3A-3bt7A:
0.0
3ag3B-3bt7A:
0.0
3ag3T-3bt7A:
0.0		 3ag3A-3bt7A:
20.94
3ag3B-3bt7A:
20.40
3ag3T-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
 1.23A 3ag3A-3ce6A:
0.0
3ag3B-3ce6A:
0.0
3ag3T-3ce6A:
0.0		 3ag3A-3ce6A:
22.59
3ag3B-3ce6A:
18.09
3ag3T-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
 1.39A 3ag3A-3cvrA:
undetectable
3ag3B-3cvrA:
undetectable
3ag3T-3cvrA:
undetectable		 3ag3A-3cvrA:
22.78
3ag3B-3cvrA:
18.50
3ag3T-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 3ag3A-3fgbA:
undetectable
3ag3B-3fgbA:
undetectable
3ag3T-3fgbA:
undetectable		 3ag3A-3fgbA:
20.44
3ag3B-3fgbA:
21.47
3ag3T-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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 101
GLN A 115
THR A  75
PHE A 132
GLY A 148
 None
 1.26A 3ag3A-3k55A:
undetectable
3ag3B-3k55A:
undetectable
3ag3T-3k55A:
undetectable		 3ag3A-3k55A:
19.58
3ag3B-3k55A:
18.91
3ag3T-3k55A:
14.19
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 682
GLU A 680
ARG A 294
PHE A 409
GLY A 511
 None
 1.49A 3ag3A-3n6rA:
undetectable
3ag3B-3n6rA:
undetectable
3ag3T-3n6rA:
undetectable		 3ag3A-3n6rA:
21.29
3ag3B-3n6rA:
14.61
3ag3T-3n6rA:
8.92
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum;
Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 GLN A  84
GLU B  91
THR A 366
ARG A 320
GLY A 279
 None
FAD  A 702 ( 4.4A)
None
FUM  A 701 (-3.2A)
None
 1.39A 3ag3A-3vrbA:
1.2
3ag3B-3vrbA:
undetectable
3ag3T-3vrbA:
undetectable		 3ag3A-3vrbA:
22.27
3ag3B-3vrbA:
15.62
3ag3T-3vrbA:
8.69
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
 1.35A 3ag3A-3wy7A:
0.1
3ag3B-3wy7A:
undetectable
3ag3T-3wy7A:
undetectable		 3ag3A-3wy7A:
21.19
3ag3B-3wy7A:
19.49
3ag3T-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 3ag3A-4cgyA:
2.1
3ag3B-4cgyA:
undetectable
3ag3T-4cgyA:
undetectable		 3ag3A-4cgyA:
20.21
3ag3B-4cgyA:
12.96
3ag3T-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 3ag3A-4cu8A:
undetectable
3ag3B-4cu8A:
undetectable
3ag3T-4cu8A:
undetectable		 3ag3A-4cu8A:
20.58
3ag3B-4cu8A:
14.29
3ag3T-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
 1.44A 3ag3A-4cu8A:
undetectable
3ag3B-4cu8A:
undetectable
3ag3T-4cu8A:
undetectable		 3ag3A-4cu8A:
20.58
3ag3B-4cu8A:
14.29
3ag3T-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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 MET A 356
GLY A 355
THR A 110
THR A 112
PHE A 466
 None
 1.37A 3ag3A-4j9uA:
2.0
3ag3B-4j9uA:
undetectable
3ag3T-4j9uA:
undetectable		 3ag3A-4j9uA:
23.60
3ag3B-4j9uA:
18.89
3ag3T-4j9uA:
10.92
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 MET A 155
GLY A 154
GLN A 181
ARG A  50
GLY A 190
 None
 1.22A 3ag3A-4kkmA:
2.3
3ag3B-4kkmA:
undetectable
3ag3T-4kkmA:
undetectable		 3ag3A-4kkmA:
21.19
3ag3B-4kkmA:
21.43
3ag3T-4kkmA:
13.07
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 MET A 149
GLN A 175
THR A 172
ARG A  44
GLY A 184
 GST  A 302 ( 4.1A)
None
None
IPE  A 301 (-3.1A)
None
 1.41A 3ag3A-4llsA:
0.8
3ag3B-4llsA:
undetectable
3ag3T-4llsA:
undetectable		 3ag3A-4llsA:
20.31
3ag3B-4llsA:
22.93
3ag3T-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.
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
 1.13A 3ag3A-4llsA:
0.8
3ag3B-4llsA:
undetectable
3ag3T-4llsA:
undetectable		 3ag3A-4llsA:
20.31
3ag3B-4llsA:
22.93
3ag3T-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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLN A 204
THR A 215
THR A 234
ARG A 207
GLY A 229
 None
None
None
289  A 414 ( 3.6A)
None
 1.28A 3ag3A-4q1qA:
undetectable
3ag3B-4q1qA:
undetectable
3ag3T-4q1qA:
undetectable		 3ag3A-4q1qA:
21.89
3ag3B-4q1qA:
19.41
3ag3T-4q1qA:
12.16
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 3ag3A-4qdgA:
undetectable
3ag3B-4qdgA:
undetectable
3ag3T-4qdgA:
undetectable		 3ag3A-4qdgA:
20.49
3ag3B-4qdgA:
23.20
3ag3T-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)
 1.06A 3ag3A-5epgA:
0.2
3ag3B-5epgA:
undetectable
3ag3T-5epgA:
undetectable		 3ag3A-5epgA:
16.15
3ag3B-5epgA:
11.18
3ag3T-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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 543
GLY A 541
GLU A 478
THR A 475
GLY A 534
 None
 1.50A 3ag3A-5u25A:
undetectable
3ag3B-5u25A:
undetectable
3ag3T-5u25A:
undetectable		 3ag3A-5u25A:
20.66
3ag3B-5u25A:
15.97
3ag3T-5u25A:
9.34
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLY A 506
GLN A 689
THR A 707
THR A 731
ARG A 658
 None
None
None
None
CL  A 801 (-3.1A)
 1.27A 3ag3A-5u47A:
undetectable
3ag3B-5u47A:
undetectable
3ag3T-5u47A:
undetectable		 3ag3A-5u47A:
20.61
3ag3B-5u47A:
15.46
3ag3T-5u47A:
8.76
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.
5wn9 SCFV 2D10

(Homo sapiens) 		no annotation 5 MET H  48
GLY H  49
GLN H 233
THR H 235
GLY H  97
 None
 1.02A 3ag3A-5wn9H:
undetectable
3ag3B-5wn9H:
undetectable
3ag3T-5wn9H:
undetectable		 3ag3A-5wn9H:
undetectable
3ag3B-5wn9H:
undetectable
3ag3T-5wn9H:
undetectable