SIMILAR PATTERNS OF AMINO ACIDS FOR 1XQL_A_4AXA605_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
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)
 0.40A 1xqlA-1epvA:
60.2
1xqlB-1epvA:
59.1		 1xqlA-1epvA:
99.74
1xqlB-1epvA:
99.74
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)
 0.68A 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)
 0.45A 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 CYH A 209
TYR A 108
ARG A 872
TYR A 107
 None
 1.07A 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 PHE A 135
TYR A 131
MET A 150
TYR A 186
 None
 1.24A 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.
2ifd M-PHASE INDUCER
PHOSPHATASE 2

(Homo sapiens) 		PF00581
(Rhodanese) 		4 CYH A 473
TYR A 528
ARG A 479
TYR A 512
 SO4  A 551 (-3.9A)
None
SO4  A 551 (-3.9A)
None
 1.47A 1xqlA-2ifdA:
undetectable
1xqlB-2ifdA:
undetectable		 1xqlA-2ifdA:
18.94
1xqlB-2ifdA:
18.94
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 PHE A 294
CYH A 101
MET A  99
TYR A  72
 None
 1.30A 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 PHE A2879
TYR A2694
ARG A3022
TYR A2871
 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)
 0.24A 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 PHE A 457
CYH A 382
TYR A 447
TYR A 451
 None
None
ZKD  A1569 (-4.0A)
None
 1.24A 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.
3dra GERANYLGERANYLTRANSF
ERASE TYPE I BETA
SUBUNIT

(Candida
albicans) 		PF00432
(Prenyltrans) 		4 PHE B 384
TYR B 390
MET B 172
TYR B 111
 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)
 0.64A 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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		4 PHE A 197
CYH A 210
TYR A 224
TYR A 215
 None
 1.20A 1xqlA-3hc1A:
undetectable
1xqlB-3hc1A:
undetectable		 1xqlA-3hc1A:
23.70
1xqlB-3hc1A:
23.70
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		4 TYR A  84
CYH A 429
ARG A 201
TYR A 435
 None
 1.21A 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 PHE A 150
TYR A  93
TYR A  35
ARG A 138
 None
None
CXS  A 206 (-3.9A)
CXS  A 206 (-3.9A)
 0.98A 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 PHE A  78
TYR A  86
TYR A 121
ARG A 209
 NGQ  A 455 (-4.2A)
None
NGQ  A 455 (-3.8A)
NGQ  A 455 (-3.1A)
 1.47A 1xqlA-3mduA:
4.5
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 MET A 209
TYR A 337
ARG A 199
TYR A 235
 None
 1.46A 1xqlA-3nzgA:
8.2
1xqlB-3nzgA:
8.1		 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.
3sy6 FIMBRIAL PROTEIN
BF1861

(Bacteroides
fragilis) 		PF13149
(Mfa_like_1) 		4 CYH A 130
TYR A 107
ARG A  44
TYR A  97
 None
 1.38A 1xqlA-3sy6A:
undetectable
1xqlB-3sy6A:
undetectable		 1xqlA-3sy6A:
22.25
1xqlB-3sy6A:
22.25
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 PHE A 178
TYR A 362
CYH A 149
ARG A 175
 None
 1.42A 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)
 1.35A 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 281
CYH A 278
TYR A 317
ARG A  88
 None
 1.03A 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 PHE A  88
MET A 110
TYR A 118
TYR A 114
 None
 1.48A 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 TYR B 172
LYS B  43
TYR B  12
ARG B 286
 None
 0.98A 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 TYR A 215
LYS A 298
TYR A 207
TYR A 135
 None
 1.44A 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 PHE A 231
TYR A 125
LYS A 121
TYR A 209
 None
 1.42A 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)
 1.17A 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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		4 TYR A 470
LYS A 567
TYR A 463
TYR A 467
 None
 1.49A 1xqlA-4yknA:
undetectable
1xqlB-4yknA:
undetectable		 1xqlA-4yknA:
13.93
1xqlB-4yknA:
13.93
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.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 PHE A 177
TYR A 172
TYR A 324
TYR A 330
 None
 1.33A 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)
 0.93A 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 PHE A 152
TYR A 336
CYH A 118
ARG A 149
 None
 1.45A 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 385
CYH A 376
TYR A 346
TYR A 359
 None
 1.44A 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)
 0.24A 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.
5yvf -

(-) 		no annotation 4 PHE A 160
CYH A 206
TYR A 164
ARG A 215
 None
 0.96A 1xqlA-5yvfA:
undetectable
1xqlB-5yvfA:
undetectable		 1xqlA-5yvfA:
undetectable
1xqlB-5yvfA:
undetectable