SIMILAR PATTERNS OF AMINO ACIDS FOR 5B3S_B_CHDB304

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.
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 5b3sA-1k5sB:
2.8
5b3sB-1k5sB:
0.0
5b3sT-1k5sB:
0.0		 5b3sA-1k5sB:
20.53
5b3sB-1k5sB:
17.45
5b3sT-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 5b3sA-1wk4A:
undetectable
5b3sB-1wk4A:
0.0
5b3sT-1wk4A:
0.0		 5b3sA-1wk4A:
14.65
5b3sB-1wk4A:
21.15
5b3sT-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 5b3sA-1zr6A:
0.0
5b3sB-1zr6A:
0.0
5b3sT-1zr6A:
0.0		 5b3sA-1zr6A:
21.86
5b3sB-1zr6A:
17.47
5b3sT-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.40A 5b3sA-2quaA:
0.0
5b3sB-2quaA:
0.5
5b3sT-2quaA:
0.0		 5b3sA-2quaA:
21.91
5b3sB-2quaA:
15.42
5b3sT-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.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 GLY A 190
GLU A 432
THR A 400
ARG A 198
GLY A 187
 None
 1.43A 5b3sA-2v5dA:
2.9
5b3sB-2v5dA:
0.0
5b3sT-2v5dA:
0.0		 5b3sA-2v5dA:
22.81
5b3sB-2v5dA:
16.55
5b3sT-2v5dA:
10.70
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 5b3sA-3bt7A:
0.0
5b3sB-3bt7A:
0.0
5b3sT-3bt7A:
0.0		 5b3sA-3bt7A:
20.94
5b3sB-3bt7A:
20.40
5b3sT-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
 1.41A 5b3sA-3cvrA:
0.0
5b3sB-3cvrA:
0.0
5b3sT-3cvrA:
0.0		 5b3sA-3cvrA:
22.78
5b3sB-3cvrA:
18.50
5b3sT-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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 285
GLU A 233
ARG A  41
ARG A  38
GLY A  53
 None
 1.22A 5b3sA-3hdjA:
0.0
5b3sB-3hdjA:
0.0
5b3sT-3hdjA:
0.0		 5b3sA-3hdjA:
20.63
5b3sB-3hdjA:
20.69
5b3sT-3hdjA:
12.86
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 GLY A 199
GLN A 202
THR A 203
ARG A 137
GLY A 275
 None
 1.46A 5b3sA-3hn0A:
0.0
5b3sB-3hn0A:
0.2
5b3sT-3hn0A:
0.0		 5b3sA-3hn0A:
19.48
5b3sB-3hn0A:
21.92
5b3sT-3hn0A:
15.47
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
 1.42A 5b3sA-3j4uA:
undetectable
5b3sB-3j4uA:
undetectable
5b3sT-3j4uA:
undetectable		 5b3sA-3j4uA:
21.07
5b3sB-3j4uA:
21.30
5b3sT-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
 1.14A 5b3sA-3ny7A:
undetectable
5b3sB-3ny7A:
undetectable
5b3sT-3ny7A:
undetectable		 5b3sA-3ny7A:
14.10
5b3sB-3ny7A:
20.43
5b3sT-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.
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
 0.99A 5b3sA-3s9bA:
undetectable
5b3sB-3s9bA:
undetectable
5b3sT-3s9bA:
undetectable		 5b3sA-3s9bA:
19.00
5b3sB-3s9bA:
21.01
5b3sT-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.
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
 1.13A 5b3sA-3wrcA:
0.0
5b3sB-3wrcA:
undetectable
5b3sT-3wrcA:
undetectable		 5b3sA-3wrcA:
22.00
5b3sB-3wrcA:
17.69
5b3sT-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
 1.38A 5b3sA-3wy7A:
undetectable
5b3sB-3wy7A:
undetectable
5b3sT-3wy7A:
undetectable		 5b3sA-3wy7A:
21.19
5b3sB-3wy7A:
19.49
5b3sT-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
 1.40A 5b3sA-3zytA:
undetectable
5b3sB-3zytA:
undetectable
5b3sT-3zytA:
undetectable		 5b3sA-3zytA:
20.15
5b3sB-3zytA:
20.27
5b3sT-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.
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
 1.37A 5b3sA-4cgyA:
1.5
5b3sB-4cgyA:
undetectable
5b3sT-4cgyA:
undetectable		 5b3sA-4cgyA:
20.21
5b3sB-4cgyA:
12.96
5b3sT-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 5b3sA-4cu8A:
undetectable
5b3sB-4cu8A:
undetectable
5b3sT-4cu8A:
undetectable		 5b3sA-4cu8A:
20.58
5b3sB-4cu8A:
14.29
5b3sT-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 5b3sA-4cu8A:
undetectable
5b3sB-4cu8A:
undetectable
5b3sT-4cu8A:
undetectable		 5b3sA-4cu8A:
20.58
5b3sB-4cu8A:
14.29
5b3sT-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 5b3sA-4j9uA:
1.6
5b3sB-4j9uA:
undetectable
5b3sT-4j9uA:
undetectable		 5b3sA-4j9uA:
23.60
5b3sB-4j9uA:
18.89
5b3sT-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.
4k3y NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLN A 226
THR A 239
ARG A 406
PHE A 277
GLY A 291
 None
 1.26A 5b3sA-4k3yA:
undetectable
5b3sB-4k3yA:
undetectable
5b3sT-4k3yA:
undetectable		 5b3sA-4k3yA:
21.72
5b3sB-4k3yA:
20.77
5b3sT-4k3yA:
11.81
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
 1.48A 5b3sA-4llsA:
1.9
5b3sB-4llsA:
undetectable
5b3sT-4llsA:
undetectable		 5b3sA-4llsA:
20.31
5b3sB-4llsA:
22.93
5b3sT-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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.25A 5b3sA-4pelB:
2.0
5b3sB-4pelB:
undetectable
5b3sT-4pelB:
undetectable		 5b3sA-4pelB:
21.29
5b3sB-4pelB:
17.12
5b3sT-4pelB:
9.81
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
 1.38A 5b3sA-4qdgA:
undetectable
5b3sB-4qdgA:
undetectable
5b3sT-4qdgA:
undetectable		 5b3sA-4qdgA:
20.49
5b3sB-4qdgA:
23.20
5b3sT-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.
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
 1.46A 5b3sA-5gl7A:
1.3
5b3sB-5gl7A:
undetectable
5b3sT-5gl7A:
undetectable		 5b3sA-5gl7A:
20.77
5b3sB-5gl7A:
16.40
5b3sT-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 5b3sA-5gq0B:
undetectable
5b3sB-5gq0B:
undetectable
5b3sT-5gq0B:
undetectable		 5b3sA-5gq0B:
20.15
5b3sB-5gq0B:
18.62
5b3sT-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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 MET A 644
GLY A 646
THR A 495
ARG A 592
GLY A 598
 None
None
HEM  A 812 (-4.2A)
None
None
 1.49A 5b3sA-5mfaA:
undetectable
5b3sB-5mfaA:
undetectable
5b3sT-5mfaA:
undetectable		 5b3sA-5mfaA:
20.36
5b3sB-5mfaA:
16.16
5b3sT-5mfaA:
8.32
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 MET A 644
GLY A 646
THR A 495
ARG A 592
GLY A 598
 None
 1.50A 5b3sA-6azpA:
undetectable
5b3sB-6azpA:
undetectable
5b3sT-6azpA:
undetectable		 5b3sA-6azpA:
undetectable
5b3sB-6azpA:
undetectable
5b3sT-6azpA:
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.
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)
 1.49A 5b3sA-6brdA:
0.0
5b3sB-6brdA:
undetectable
5b3sT-6brdA:
undetectable		 5b3sA-6brdA:
undetectable
5b3sB-6brdA:
undetectable
5b3sT-6brdA:
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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 5 GLY A  10
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.34A 5b3sA-6brdA:
0.0
5b3sB-6brdA:
undetectable
5b3sT-6brdA:
undetectable		 5b3sA-6brdA:
undetectable
5b3sB-6brdA:
undetectable
5b3sT-6brdA:
undetectable