SIMILAR PATTERNS OF AMINO ACIDS FOR 1V55_O_CHDO3085_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
 1.22A 1v55G-1dgjA:
0.0
1v55N-1dgjA:
0.0
1v55O-1dgjA:
0.0		 1v55G-1dgjA:
6.46
1v55N-1dgjA:
20.43
1v55O-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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.10A 1v55G-1dgjA:
0.0
1v55N-1dgjA:
0.0
1v55O-1dgjA:
0.0		 1v55G-1dgjA:
6.46
1v55N-1dgjA:
20.43
1v55O-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
 1.10A 1v55G-1e3dA:
0.0
1v55N-1e3dA:
undetectable
1v55O-1e3dA:
0.0		 1v55G-1e3dA:
14.96
1v55N-1e3dA:
18.70
1v55O-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
 1.13A 1v55G-1k5sB:
0.0
1v55N-1k5sB:
0.2
1v55O-1k5sB:
0.0		 1v55G-1k5sB:
12.50
1v55N-1k5sB:
20.53
1v55O-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 257
 NAD  A 600 (-3.9A)
None
None
None
None
 1.47A 1v55G-1x87A:
0.0
1v55N-1x87A:
0.0
1v55O-1x87A:
0.0		 1v55G-1x87A:
9.12
1v55N-1x87A:
20.44
1v55O-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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ARG A  90
GLY A 105
GLY A  67
GLN A  71
GLU A  40
 NLG  A1302 (-4.3A)
None
NLG  A1302 (-3.3A)
None
None
 1.33A 1v55G-2bufA:
0.0
1v55N-2bufA:
0.0
1v55O-2bufA:
0.0		 1v55G-2bufA:
14.04
1v55N-2bufA:
22.06
1v55O-2bufA:
21.69
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.
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
 1.27A 1v55G-2d42A:
0.0
1v55N-2d42A:
undetectable
1v55O-2d42A:
0.0		 1v55G-2d42A:
14.80
1v55N-2d42A:
20.24
1v55O-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.
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
 1.22A 1v55G-2nlkA:
0.0
1v55N-2nlkA:
0.4
1v55O-2nlkA:
0.9		 1v55G-2nlkA:
8.51
1v55N-2nlkA:
21.20
1v55O-2nlkA:
16.56
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ARG A 409
GLY A 472
TRP A 468
GLN A 559
THR A 524
 None
None
None
CL  A 590 ( 4.8A)
None
 1.45A 1v55G-2pa5A:
0.0
1v55N-2pa5A:
0.0
1v55O-2pa5A:
0.0		 1v55G-2pa5A:
12.87
1v55N-2pa5A:
17.34
1v55O-2pa5A:
22.80
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.
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)
 1.32A 1v55G-2xhyA:
undetectable
1v55N-2xhyA:
0.0
1v55O-2xhyA:
undetectable		 1v55G-2xhyA:
10.37
1v55N-2xhyA:
20.62
1v55O-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
 1.38A 1v55G-3bt7A:
undetectable
1v55N-3bt7A:
0.0
1v55O-3bt7A:
undetectable		 1v55G-3bt7A:
13.92
1v55N-3bt7A:
20.94
1v55O-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
 1.32A 1v55G-3ce6A:
undetectable
1v55N-3ce6A:
0.0
1v55O-3ce6A:
undetectable		 1v55G-3ce6A:
12.00
1v55N-3ce6A:
22.59
1v55O-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 1v55G-3cvrA:
undetectable
1v55N-3cvrA:
undetectable
1v55O-3cvrA:
undetectable		 1v55G-3cvrA:
9.07
1v55N-3cvrA:
22.78
1v55O-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.
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 1v55G-3fgbA:
undetectable
1v55N-3fgbA:
undetectable
1v55O-3fgbA:
undetectable		 1v55G-3fgbA:
13.33
1v55N-3fgbA:
20.44
1v55O-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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.25A 1v55G-3hdjA:
undetectable
1v55N-3hdjA:
undetectable
1v55O-3hdjA:
undetectable		 1v55G-3hdjA:
12.86
1v55N-3hdjA:
20.63
1v55O-3hdjA:
20.69
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.
3jzv UNCHARACTERIZED
PROTEIN RRU_A2000

(Rhodospirillum
rubrum) 		PF07883
(Cupin_2) 		5 GLY A  62
GLY A 118
GLN A  14
GLU A  57
THR A  39
 None
 1.46A 1v55G-3jzvA:
undetectable
1v55N-3jzvA:
undetectable
1v55O-3jzvA:
undetectable		 1v55G-3jzvA:
18.01
1v55N-3jzvA:
14.20
1v55O-3jzvA:
18.18
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.
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
 1.33A 1v55G-3wy7A:
undetectable
1v55N-3wy7A:
0.2
1v55O-3wy7A:
undetectable		 1v55G-3wy7A:
12.93
1v55N-3wy7A:
21.19
1v55O-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
 1.36A 1v55G-4cgyA:
undetectable
1v55N-4cgyA:
1.7
1v55O-4cgyA:
undetectable		 1v55G-4cgyA:
9.36
1v55N-4cgyA:
20.21
1v55O-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 1v55G-4cu8A:
undetectable
1v55N-4cu8A:
undetectable
1v55O-4cu8A:
undetectable		 1v55G-4cu8A:
7.93
1v55N-4cu8A:
20.58
1v55O-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 1v55G-4cu8A:
undetectable
1v55N-4cu8A:
undetectable
1v55O-4cu8A:
undetectable		 1v55G-4cu8A:
7.93
1v55N-4cu8A:
20.58
1v55O-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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.19A 1v55G-4pelB:
undetectable
1v55N-4pelB:
undetectable
1v55O-4pelB:
undetectable		 1v55G-4pelB:
9.81
1v55N-4pelB:
21.29
1v55O-4pelB:
17.12
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
 1.40A 1v55G-4qdgA:
undetectable
1v55N-4qdgA:
undetectable
1v55O-4qdgA:
undetectable		 1v55G-4qdgA:
13.97
1v55N-4qdgA:
20.49
1v55O-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
 1.16A 1v55G-4u9iS:
undetectable
1v55N-4u9iS:
undetectable
1v55O-4u9iS:
undetectable		 1v55G-4u9iS:
15.77
1v55N-4u9iS:
18.25
1v55O-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.
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 ARG A 921
PHE A 807
GLY A 808
GLY A1088
GLN A1049
 MTE  A3003 (-3.7A)
MTE  A3003 (-3.7A)
MOS  A3005 (-4.0A)
MOS  A3005 ( 3.4A)
MTE  A3003 (-4.4A)
 1.00A 1v55G-5epgA:
undetectable
1v55N-5epgA:
0.0
1v55O-5epgA:
undetectable		 1v55G-5epgA:
5.22
1v55N-5epgA:
16.15
1v55O-5epgA:
11.18
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
 1.47A 1v55G-5yb7A:
undetectable
1v55N-5yb7A:
undetectable
1v55O-5yb7A:
undetectable		 1v55G-5yb7A:
undetectable
1v55N-5yb7A:
undetectable
1v55O-5yb7A:
undetectable