SIMILAR PATTERNS OF AMINO ACIDS FOR 1XQL_B_4AXB505_1

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.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 TYR A 164
TYR A 200
PHE A 253
CYH A 202
 FE  A 400 (-4.1A)
FE  A 400 (-4.4A)
None
None
 1.42A 1xqlA-1dlmA:
undetectable
1xqlB-1dlmA:
undetectable		 1xqlA-1dlmA:
21.14
1xqlB-1dlmA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  39
TYR A  43
ARG A 136
TYR A 354
 DCS  A1001 (-2.2A)
DCS  A1001 (-4.3A)
DCS  A1001 (-3.1A)
DCS  A1001 (-4.4A)
 0.43A 1xqlA-1epvA:
60.2
1xqlB-1epvA:
59.1		 1xqlA-1epvA:
99.74
1xqlB-1epvA:
99.74
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		4 LYS A 271
TYR A 268
TYR A  88
TYR A  86
 None
 1.46A 1xqlA-1nt4A:
undetectable
1xqlB-1nt4A:
undetectable		 1xqlA-1nt4A:
21.33
1xqlB-1nt4A:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rcq CATABOLIC ALANINE
RACEMASE DADX

(Pseudomonas
aeruginosa) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  33
TYR A  37
ARG A 129
TYR A 341
 PLP  A 358 ( 1.3A)
PLP  A 358 ( 4.6A)
DLY  A 359 ( 2.5A)
PLP  A 358 ( 4.4A)
 0.78A 1xqlA-1rcqA:
39.4
1xqlB-1rcqA:
39.6		 1xqlA-1rcqA:
31.98
1xqlB-1rcqA:
31.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  38
TYR A  42
ARG A 136
TYR A 361
 DCS  A 401 (-2.8A)
DCS  A 401 (-4.6A)
KCX  A 129 (-3.9A)
DCS  A 401 (-4.5A)
 0.46A 1xqlA-1vftA:
43.0
1xqlB-1vftA:
42.9		 1xqlA-1vftA:
35.38
1xqlB-1vftA:
35.38
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.
2btv PROTEIN (VP3 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3) 		4 TYR A 108
ARG A 872
TYR A 107
CYH A 209
 None
 1.08A 1xqlA-2btvA:
undetectable
1xqlB-2btvA:
undetectable		 1xqlA-2btvA:
19.40
1xqlB-2btvA:
19.40
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.
2dyu FORMAMIDASE

(Helicobacter
pylori) 		PF00795
(CN_hydrolase) 		4 TYR A 186
PHE A 135
TYR A 131
MET A 150
 None
 1.22A 1xqlA-2dyuA:
2.3
1xqlB-2dyuA:
2.4		 1xqlA-2dyuA:
20.43
1xqlB-2dyuA:
20.43
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 TYR A  72
PHE A 294
CYH A 101
MET A  99
 None
 1.38A 1xqlA-2j4dA:
undetectable
1xqlB-2j4dA:
undetectable		 1xqlA-2j4dA:
21.68
1xqlB-2j4dA:
21.68
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.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		4 TYR A2694
ARG A3022
TYR A2871
PHE A2879
 None
 1.45A 1xqlA-2jd4A:
undetectable
1xqlB-2jd4A:
undetectable		 1xqlA-2jd4A:
22.63
1xqlB-2jd4A:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  41
TYR A  45
ARG A 138
TYR A 359
 IN5  A1394 ( 2.4A)
IN5  A1394 ( 4.4A)
IN5  A1394 (-3.1A)
EPC  A1395 ( 4.2A)
 0.37A 1xqlA-2vd9A:
53.9
1xqlB-2vd9A:
53.6		 1xqlA-2vd9A:
56.30
1xqlB-2vd9A:
56.30
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.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		4 TYR A 447
TYR A 451
PHE A 457
CYH A 382
 ZKD  A1569 (-4.0A)
None
None
None
 1.22A 1xqlA-2xgoA:
2.5
1xqlB-2xgoA:
2.2		 1xqlA-2xgoA:
23.16
1xqlB-2xgoA:
23.16
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 TYR A 161
TYR A 195
PHE A 248
CYH A 197
 FE  A1307 (-4.3A)
None
None
None
 1.36A 1xqlA-2xsrA:
undetectable
1xqlB-2xsrA:
undetectable		 1xqlA-2xsrA:
23.00
1xqlB-2xsrA:
23.00
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.
3dra GERANYLGERANYLTRANSF
ERASE TYPE I BETA
SUBUNIT

(Candida
albicans) 		PF00432
(Prenyltrans) 		4 TYR B 111
PHE B 384
TYR B 390
MET B 172
 None
 1.42A 1xqlA-3draB:
undetectable
1xqlB-3draB:
undetectable		 1xqlA-3draB:
20.26
1xqlB-3draB:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  40
TYR A  44
ARG A 139
TYR A 356
 DCS  A 372 (-3.6A)
DCS  A 372 (-4.7A)
DCS  A 372 (-3.3A)
DCS  A 372 (-4.5A)
 0.63A 1xqlA-3e6eA:
49.3
1xqlB-3e6eA:
49.2		 1xqlA-3e6eA:
48.69
1xqlB-3e6eA:
48.69
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		4 ARG A 201
TYR A 435
TYR A  84
CYH A 429
 None
 1.20A 1xqlA-3hd6A:
undetectable
1xqlB-3hd6A:
undetectable		 1xqlA-3hd6A:
22.03
1xqlB-3hd6A:
22.03
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.
3m4f ENDO-1,4-BETA-XYLANA
SE

(Acidomyces
acidophilus) 		PF00457
(Glyco_hydro_11) 		4 TYR A  35
ARG A 138
PHE A 150
TYR A  93
 CXS  A 206 (-3.9A)
CXS  A 206 (-3.9A)
None
None
 0.99A 1xqlA-3m4fA:
undetectable
1xqlB-3m4fA:
undetectable		 1xqlA-3m4fA:
18.46
1xqlB-3m4fA:
18.46
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 TYR A 121
ARG A 209
PHE A  78
TYR A  86
 NGQ  A 455 (-3.8A)
NGQ  A 455 (-3.1A)
NGQ  A 455 (-4.2A)
None
 1.46A 1xqlA-3mduA:
4.9
1xqlB-3mduA:
4.4		 1xqlA-3mduA:
23.91
1xqlB-3mduA:
23.91
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 332
ARG A 194
TYR A 230
MET A 204
 None
 1.49A 1xqlA-3mqtA:
4.9
1xqlB-3mqtA:
4.9		 1xqlA-3mqtA:
21.40
1xqlB-3mqtA:
21.40
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 337
ARG A 199
TYR A 235
MET A 209
 None
 1.45A 1xqlA-3nzgA:
8.2
1xqlB-3nzgA:
8.0		 1xqlA-3nzgA:
22.07
1xqlB-3nzgA:
22.07
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.
4b9a PROBABLE EPOXIDE
HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 TYR A 214
TYR A  39
PHE A 201
TYR A  67
 SO4  A1312 (-4.6A)
SO4  A1312 ( 4.8A)
None
None
 1.37A 1xqlA-4b9aA:
undetectable
1xqlB-4b9aA:
undetectable		 1xqlA-4b9aA:
22.92
1xqlB-4b9aA:
22.92
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ARG A 175
PHE A 178
TYR A 362
CYH A 149
 None
 1.41A 1xqlA-4cgyA:
undetectable
1xqlB-4cgyA:
undetectable		 1xqlA-4cgyA:
21.03
1xqlB-4cgyA:
21.03
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.39A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
21.34
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 TYR A 317
ARG A  88
TYR A 281
CYH A 278
 None
 1.05A 1xqlA-4iuwA:
undetectable
1xqlB-4iuwA:
undetectable		 1xqlA-4iuwA:
21.95
1xqlB-4iuwA:
21.95
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.
4ovj EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Alicyclobacillus
acidocaldarius) 		PF13416
(SBP_bac_8) 		4 TYR A 118
TYR A 114
PHE A  88
MET A 110
 None
 1.43A 1xqlA-4ovjA:
undetectable
1xqlB-4ovjA:
undetectable		 1xqlA-4ovjA:
21.62
1xqlB-4ovjA:
21.62
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.
4pba UNCHARACTERIZED
PROTEIN ABASI

(Acinetobacter
baumannii) 		no annotation 4 LYS B  43
TYR B  12
ARG B 286
TYR B 172
 None
 0.94A 1xqlA-4pbaB:
undetectable
1xqlB-4pbaB:
undetectable		 1xqlA-4pbaB:
20.82
1xqlB-4pbaB:
20.82
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.
4pxg TYPE-2 RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		PF02976
(MutH) 		4 LYS A 298
TYR A 207
TYR A 135
TYR A 215
 None
 1.47A 1xqlA-4pxgA:
undetectable
1xqlB-4pxgA:
undetectable		 1xqlA-4pxgA:
23.94
1xqlB-4pxgA:
23.94
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.
4q1z PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF16215
(DUF4876) 		4 LYS A 121
TYR A 209
PHE A 231
TYR A 125
 None
 1.38A 1xqlA-4q1zA:
undetectable
1xqlB-4q1zA:
undetectable		 1xqlA-4q1zA:
22.94
1xqlB-4q1zA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wr3 ALANINE RACEMASE,
BIOSYNTHETIC

(Escherichia
coli) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  34
TYR A  38
ARG A 129
TYR A 343
 PLP  A1001 ( 1.3A)
PLP  A1001 (-4.4A)
SO4  A1002 ( 3.8A)
PLP  A1001 (-4.6A)
 1.25A 1xqlA-4wr3A:
40.3
1xqlB-4wr3A:
40.4		 1xqlA-4wr3A:
32.22
1xqlB-4wr3A:
32.22
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.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 TYR A 324
TYR A 330
PHE A 177
TYR A 172
 None
 1.29A 1xqlA-4z0vA:
undetectable
1xqlB-4z0vA:
undetectable		 1xqlA-4z0vA:
24.04
1xqlB-4z0vA:
24.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  46
TYR A  50
ARG A 148
TYR A 374
 PLP  A 401 (-1.3A)
PLP  A 401 (-4.6A)
KCX  A 141 ( 4.2A)
PLP  A 401 (-4.2A)
 0.97A 1xqlA-5facA:
43.2
1xqlB-5facA:
43.1		 1xqlA-5facA:
35.58
1xqlB-5facA:
35.58
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.
5gve DNA TOPOISOMERASE
3-BETA-1

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ARG A 149
PHE A 152
TYR A 336
CYH A 118
 None
 1.46A 1xqlA-5gveA:
undetectable
1xqlB-5gveA:
undetectable		 1xqlA-5gveA:
21.43
1xqlB-5gveA:
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.
5gvv GLYCOSYL TRANSFERASE
FAMILY 8

(Streptococcus
pneumoniae) 		PF01501
(Glyco_transf_8) 		4 TYR A 346
TYR A 359
TYR A 385
CYH A 376
 None
 1.43A 1xqlA-5gvvA:
undetectable
1xqlB-5gvvA:
undetectable		 1xqlA-5gvvA:
22.10
1xqlB-5gvvA:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A  39
TYR A  43
ARG A 139
TYR A 364
 UAH  A 402 ( 4.0A)
UAH  A 402 (-4.7A)
UAH  A 402 (-3.4A)
TRS  A 403 ( 3.3A)
 0.32A 1xqlA-5irpA:
50.2
1xqlB-5irpA:
49.9		 1xqlA-5irpA:
42.36
1xqlB-5irpA:
42.36
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.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 TYR A 164
TYR A 200
PHE A 253
CYH A 202
 ZN  A 401 ( 4.2A)
ZN  A 401 ( 4.7A)
None
None
 1.31A 1xqlA-5umhA:
undetectable
1xqlB-5umhA:
undetectable		 1xqlA-5umhA:
22.57
1xqlB-5umhA:
22.57
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.
5yvf -

(-) 		no annotation 4 TYR A 164
ARG A 215
PHE A 160
CYH A 206
 None
 0.99A 1xqlA-5yvfA:
undetectable
1xqlB-5yvfA:
undetectable		 1xqlA-5yvfA:
undetectable
1xqlB-5yvfA:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
10
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL

(Mus musculus) 		no annotation 4 TYR h  59
ARG h  73
TYR p  63
TYR h  66
 None
 1.42A 1xqlA-6g2jh:
undetectable
1xqlB-6g2jh:
undetectable		 1xqlA-6g2jh:
14.24
1xqlB-6g2jh:
14.24