SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZXW_G_CHDG86_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 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.21A 2zxwG-1dgjA:
0.0
2zxwN-1dgjA:
0.0
2zxwO-1dgjA:
0.0		 2zxwG-1dgjA:
6.46
2zxwN-1dgjA:
20.43
2zxwO-1dgjA:
13.47
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		5 PHE A 263
GLY A 220
GLN B  64
THR B 229
THR B 235
 None
 1.14A 2zxwG-1e3dA:
0.0
2zxwN-1e3dA:
0.0
2zxwO-1e3dA:
0.0		 2zxwG-1e3dA:
14.96
2zxwN-1e3dA:
18.70
2zxwO-1e3dA:
21.13
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 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.16A 2zxwG-1k5sB:
0.0
2zxwN-1k5sB:
0.0
2zxwO-1k5sB:
0.0		 2zxwG-1k5sB:
12.50
2zxwN-1k5sB:
20.53
2zxwO-1k5sB:
17.45
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ARG A 197
ARG A 201
GLY A 234
GLN A 177
THR A 165
 NAD  A 600 (-3.9A)
None
None
None
None
 1.49A 2zxwG-1x87A:
0.0
2zxwN-1x87A:
1.1
2zxwO-1x87A:
0.0		 2zxwG-1x87A:
9.12
2zxwN-1x87A:
20.44
2zxwO-1x87A:
18.23
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  93
GLY A 123
GLN A  89
THR A 228
THR A 168
 None
 1.29A 2zxwG-2d42A:
0.0
2zxwN-2d42A:
undetectable
2zxwO-2d42A:
0.0		 2zxwG-2d42A:
14.80
2zxwN-2d42A:
20.24
2zxwO-2d42A:
22.30
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 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.36A 2zxwG-2xhyA:
0.0
2zxwN-2xhyA:
0.0
2zxwO-2xhyA:
0.0		 2zxwG-2xhyA:
10.37
2zxwN-2xhyA:
20.62
2zxwO-2xhyA:
18.60
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 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.39A 2zxwG-3bt7A:
0.0
2zxwN-3bt7A:
0.0
2zxwO-3bt7A:
0.0		 2zxwG-3bt7A:
13.92
2zxwN-3bt7A:
20.94
2zxwO-3bt7A:
20.40
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 ARG A 406
PHE A  96
GLY A 411
GLY A 359
THR A 269
 None
 1.29A 2zxwG-3ce6A:
0.0
2zxwN-3ce6A:
0.2
2zxwO-3ce6A:
0.0		 2zxwG-3ce6A:
12.00
2zxwN-3ce6A:
22.59
2zxwO-3ce6A:
18.09
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.43A 2zxwG-3cvrA:
undetectable
2zxwN-3cvrA:
0.8
2zxwO-3cvrA:
undetectable		 2zxwG-3cvrA:
9.07
2zxwN-3cvrA:
22.78
2zxwO-3cvrA:
18.50
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 533
GLY A 697
GLY A 866
GLN A 655
THR A 704
 PCD  A 921 (-4.0A)
GOL  A 912 ( 3.1A)
PCD  A 921 (-3.4A)
PCD  A 921 (-3.6A)
None
 1.34A 2zxwG-3fahA:
undetectable
2zxwN-3fahA:
undetectable
2zxwO-3fahA:
undetectable		 2zxwG-3fahA:
7.02
2zxwN-3fahA:
21.15
2zxwO-3fahA:
13.55
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 ARG A 112
PHE A 104
GLY A  83
GLY A 153
THR A 129
 None
 1.34A 2zxwG-3fgbA:
undetectable
2zxwN-3fgbA:
undetectable
2zxwO-3fgbA:
undetectable		 2zxwG-3fgbA:
13.33
2zxwN-3fgbA:
20.44
2zxwO-3fgbA:
21.47
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ARG A  65
ARG A  62
PHE A  59
GLY A 126
THR A  51
 None
 1.12A 2zxwG-3nioA:
undetectable
2zxwN-3nioA:
undetectable
2zxwO-3nioA:
undetectable		 2zxwG-3nioA:
14.20
2zxwN-3nioA:
21.00
2zxwO-3nioA:
22.47
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.08A 2zxwG-3s9bA:
undetectable
2zxwN-3s9bA:
undetectable
2zxwO-3s9bA:
undetectable		 2zxwG-3s9bA:
15.53
2zxwN-3s9bA:
19.00
2zxwO-3s9bA:
21.01
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.35A 2zxwG-3wy7A:
undetectable
2zxwN-3wy7A:
undetectable
2zxwO-3wy7A:
undetectable		 2zxwG-3wy7A:
12.93
2zxwN-3wy7A:
21.19
2zxwO-3wy7A:
19.49
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.41A 2zxwG-4cgyA:
undetectable
2zxwN-4cgyA:
3.6
2zxwO-4cgyA:
undetectable		 2zxwG-4cgyA:
9.36
2zxwN-4cgyA:
20.21
2zxwO-4cgyA:
12.96
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 PHE A 444
GLY A 643
GLY A 597
GLU A 505
THR A 482
 None
 1.28A 2zxwG-4cu8A:
undetectable
2zxwN-4cu8A:
undetectable
2zxwO-4cu8A:
undetectable		 2zxwG-4cu8A:
7.93
2zxwN-4cu8A:
20.58
2zxwO-4cu8A:
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.41A 2zxwG-4cu8A:
undetectable
2zxwN-4cu8A:
undetectable
2zxwO-4cu8A:
undetectable		 2zxwG-4cu8A:
7.93
2zxwN-4cu8A:
20.58
2zxwO-4cu8A:
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.
4ix9 V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		5 ARG A  61
PHE A  38
GLY A  26
THR A  16
THR A  18
 None
None
TRS  A 101 (-3.5A)
None
None
 1.48A 2zxwG-4ix9A:
undetectable
2zxwN-4ix9A:
undetectable
2zxwO-4ix9A:
undetectable		 2zxwG-4ix9A:
19.59
2zxwN-4ix9A:
10.32
2zxwO-4ix9A:
18.72
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 ARG A  50
GLY A 190
MET A 155
GLY A 154
GLN A 181
 None
 1.38A 2zxwG-4kkmA:
undetectable
2zxwN-4kkmA:
2.7
2zxwO-4kkmA:
undetectable		 2zxwG-4kkmA:
13.07
2zxwN-4kkmA:
21.19
2zxwO-4kkmA:
21.43
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 ARG A  44
GLY A 184
MET A 149
GLY A 148
GLN A 175
 IPE  A 301 (-3.1A)
None
GST  A 302 ( 4.1A)
None
None
 1.32A 2zxwG-4llsA:
undetectable
2zxwN-4llsA:
1.3
2zxwO-4llsA:
undetectable		 2zxwG-4llsA:
14.29
2zxwN-4llsA:
20.31
2zxwO-4llsA:
22.93
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.38A 2zxwG-4qdgA:
undetectable
2zxwN-4qdgA:
undetectable
2zxwO-4qdgA:
undetectable		 2zxwG-4qdgA:
13.97
2zxwN-4qdgA:
20.49
2zxwO-4qdgA:
23.20
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 PHE S 264
GLY S 221
GLN L  74
THR L 239
THR L 245
 None
 1.21A 2zxwG-4u9iS:
undetectable
2zxwN-4u9iS:
undetectable
2zxwO-4u9iS:
undetectable		 2zxwG-4u9iS:
15.77
2zxwN-4u9iS:
18.25
2zxwO-4u9iS:
20.67
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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ARG A 267
PHE A 270
GLY A 470
GLN A 192
GLU A 190
 None
 1.39A 2zxwG-5i4eA:
undetectable
2zxwN-5i4eA:
0.0
2zxwO-5i4eA:
5.0		 2zxwG-5i4eA:
6.43
2zxwN-5i4eA:
18.49
2zxwO-5i4eA:
13.40
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 PHE A 182
GLY A 277
GLY A 104
THR A 333
THR A 331
 None
None
HEM  A 801 (-3.4A)
None
None
 1.47A 2zxwG-5kqiA:
undetectable
2zxwN-5kqiA:
undetectable
2zxwO-5kqiA:
undetectable		 2zxwG-5kqiA:
8.52
2zxwN-5kqiA:
20.60
2zxwO-5kqiA:
16.18
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 PHE A  22
GLY A 519
GLU A 518
THR A  16
THR A 252
 None
 1.42A 2zxwG-5yb7A:
undetectable
2zxwN-5yb7A:
undetectable
2zxwO-5yb7A:
undetectable		 2zxwG-5yb7A:
undetectable
2zxwN-5yb7A:
undetectable
2zxwO-5yb7A:
undetectable