SIMILAR PATTERNS OF AMINO ACIDS FOR 5B1B_B_CHDB303_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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 172
GLN A 170
THR A 437
PHE A 206
GLY A 207
 None
 1.44A 5b1bA-1d2eA:
0.0
5b1bB-1d2eA:
0.0
5b1bT-1d2eA:
0.0		 5b1bA-1d2eA:
21.96
5b1bB-1d2eA:
19.61
5b1bT-1d2eA:
12.20
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
 1.20A 5b1bA-1k5sB:
0.1
5b1bB-1k5sB:
0.0
5b1bT-1k5sB:
0.0		 5b1bA-1k5sB:
20.53
5b1bB-1k5sB:
17.45
5b1bT-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.
1wk4 TTK003001606

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		5 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.12A 5b1bA-1wk4A:
undetectable
5b1bB-1wk4A:
0.0
5b1bT-1wk4A:
0.0		 5b1bA-1wk4A:
14.65
5b1bB-1wk4A:
21.15
5b1bT-1wk4A:
18.86
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)
 1.47A 5b1bA-1zr6A:
0.0
5b1bB-1zr6A:
0.0
5b1bT-1zr6A:
0.0		 5b1bA-1zr6A:
21.86
5b1bB-1zr6A:
17.47
5b1bT-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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 119
GLN A 372
THR A 391
ARG A  19
GLY A 125
 None
 1.35A 5b1bA-2gskA:
undetectable
5b1bB-2gskA:
0.0
5b1bT-2gskA:
0.0		 5b1bA-2gskA:
21.56
5b1bB-2gskA:
14.48
5b1bT-2gskA:
10.11
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
 1.43A 5b1bA-2quaA:
0.0
5b1bB-2quaA:
0.5
5b1bT-2quaA:
0.0		 5b1bA-2quaA:
21.91
5b1bB-2quaA:
15.42
5b1bT-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.
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 5b1bA-3bt7A:
0.0
5b1bB-3bt7A:
0.0
5b1bT-3bt7A:
0.0		 5b1bA-3bt7A:
20.94
5b1bB-3bt7A:
20.40
5b1bT-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.
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
 1.44A 5b1bA-3cvrA:
0.0
5b1bB-3cvrA:
0.0
5b1bT-3cvrA:
0.0		 5b1bA-3cvrA:
22.78
5b1bB-3cvrA:
18.50
5b1bT-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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 697
GLN A 655
ARG A 533
PHE A 421
GLY A 422
 GOL  A 912 ( 3.1A)
PCD  A 921 (-3.6A)
PCD  A 921 (-4.0A)
PCD  A 921 (-3.4A)
PCD  A 921 (-3.4A)
 1.19A 5b1bA-3fahA:
0.0
5b1bB-3fahA:
0.0
5b1bT-3fahA:
0.0		 5b1bA-3fahA:
21.15
5b1bB-3fahA:
13.55
5b1bT-3fahA:
7.02
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 5 MET A  87
GLY A  88
GLN A 126
THR A 125
GLY A 144
 None
 1.43A 5b1bA-3j4uA:
undetectable
5b1bB-3j4uA:
undetectable
5b1bT-3j4uA:
undetectable		 5b1bA-3j4uA:
21.07
5b1bB-3j4uA:
21.30
5b1bT-3j4uA:
14.44
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.
3ny7 SULFATE TRANSPORTER

(Escherichia
coli) 		PF01740
(STAS) 		5 GLY A 466
THR A 437
ARG A 505
PHE A 499
GLY A 495
 None
 1.13A 5b1bA-3ny7A:
undetectable
5b1bB-3ny7A:
undetectable
5b1bT-3ny7A:
undetectable		 5b1bA-3ny7A:
14.10
5b1bB-3ny7A:
20.43
5b1bT-3ny7A:
17.89
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 GLN A 277
ARG A 167
ARG A 247
PHE A 274
GLY A   7
 None
 1.14A 5b1bA-3wrcA:
0.0
5b1bB-3wrcA:
undetectable
5b1bT-3wrcA:
undetectable		 5b1bA-3wrcA:
22.00
5b1bB-3wrcA:
17.69
5b1bT-3wrcA:
10.79
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
 1.40A 5b1bA-3wy7A:
0.0
5b1bB-3wy7A:
undetectable
5b1bT-3wy7A:
undetectable		 5b1bA-3wy7A:
21.19
5b1bB-3wy7A:
19.49
5b1bT-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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		5 GLY A 154
GLN A 170
GLU A 158
THR A 168
GLY A  66
 None
 1.41A 5b1bA-3zytA:
undetectable
5b1bB-3zytA:
undetectable
5b1bT-3zytA:
undetectable		 5b1bA-3zytA:
20.15
5b1bB-3zytA:
20.27
5b1bT-3zytA:
12.71
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.
3zyv AOX3

(Mus musculus) 		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 A1083
GLN A1045
ARG A 917
PHE A 803
GLY A 804
 MTE  A3003 (-3.6A)
MTE  A3003 (-4.1A)
MTE  A3003 ( 2.9A)
MTE  A3003 (-4.1A)
MOS  A3004 (-2.8A)
 1.10A 5b1bA-3zyvA:
2.2
5b1bB-3zyvA:
undetectable
5b1bT-3zyvA:
undetectable		 5b1bA-3zyvA:
18.19
5b1bB-3zyvA:
10.10
5b1bT-3zyvA:
4.98
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
 1.41A 5b1bA-4cgyA:
undetectable
5b1bB-4cgyA:
undetectable
5b1bT-4cgyA:
undetectable		 5b1bA-4cgyA:
20.21
5b1bB-4cgyA:
12.96
5b1bT-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 5b1bA-4cu8A:
undetectable
5b1bB-4cu8A:
undetectable
5b1bT-4cu8A:
undetectable		 5b1bA-4cu8A:
20.58
5b1bB-4cu8A:
14.29
5b1bT-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
 1.48A 5b1bA-4cu8A:
undetectable
5b1bB-4cu8A:
undetectable
5b1bT-4cu8A:
undetectable		 5b1bA-4cu8A:
20.58
5b1bB-4cu8A:
14.29
5b1bT-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
 1.22A 5b1bA-4j05A:
1.1
5b1bB-4j05A:
undetectable
5b1bT-4j05A:
undetectable		 5b1bA-4j05A:
23.83
5b1bB-4j05A:
17.55
5b1bT-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.
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
 1.40A 5b1bA-4j9uA:
4.5
5b1bB-4j9uA:
undetectable
5b1bT-4j9uA:
undetectable		 5b1bA-4j9uA:
23.60
5b1bB-4j9uA:
18.89
5b1bT-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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 MET A 149
GLY A 177
GLN A 175
ARG A  44
GLY A 184
 GST  A 302 ( 4.1A)
None
None
IPE  A 301 (-3.1A)
None
 1.32A 5b1bA-4llsA:
2.0
5b1bB-4llsA:
undetectable
5b1bT-4llsA:
undetectable		 5b1bA-4llsA:
20.31
5b1bB-4llsA:
22.93
5b1bT-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
 1.33A 5b1bA-4qdgA:
undetectable
5b1bB-4qdgA:
undetectable
5b1bT-4qdgA:
undetectable		 5b1bA-4qdgA:
20.49
5b1bB-4qdgA:
23.20
5b1bT-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 A1087
GLN A1049
ARG A 921
PHE A 807
GLY A 808
 MTE  A3003 ( 3.4A)
MTE  A3003 (-4.4A)
MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
 1.14A 5b1bA-5epgA:
2.3
5b1bB-5epgA:
undetectable
5b1bT-5epgA:
undetectable		 5b1bA-5epgA:
16.15
5b1bB-5epgA:
11.18
5b1bT-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.
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)
 1.17A 5b1bA-5epgA:
2.3
5b1bB-5epgA:
undetectable
5b1bT-5epgA:
undetectable		 5b1bA-5epgA:
16.15
5b1bB-5epgA:
11.18
5b1bT-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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		5 MET A 659
GLY A 658
GLN A 770
THR A 766
GLY A 651
 None
 1.45A 5b1bA-5gl7A:
1.9
5b1bB-5gl7A:
undetectable
5b1bT-5gl7A:
undetectable		 5b1bA-5gl7A:
20.77
5b1bB-5gl7A:
16.40
5b1bT-5gl7A:
8.85
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
 1.22A 5b1bA-5gq0B:
undetectable
5b1bB-5gq0B:
undetectable
5b1bT-5gq0B:
undetectable		 5b1bA-5gq0B:
20.15
5b1bB-5gq0B:
18.62
5b1bT-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.
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)
 1.33A 5b1bA-5u47A:
0.6
5b1bB-5u47A:
undetectable
5b1bT-5u47A:
undetectable		 5b1bA-5u47A:
20.61
5b1bB-5u47A:
15.46
5b1bT-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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 5 GLY A   9
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 ( 4.9A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.48A 5b1bA-6brdA:
0.1
5b1bB-6brdA:
undetectable
5b1bT-6brdA:
undetectable		 5b1bA-6brdA:
undetectable
5b1bB-6brdA:
undetectable
5b1bT-6brdA:
undetectable