SIMILAR PATTERNS OF AMINO ACIDS FOR 1QU3_A_MRCA993_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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		8 HIS A  54
GLY A  56
HIS A  57
SER A 521
GLU A 550
ASP A 553
GLN A 554
HIS A 581
 None
 0.86A 1qu3A-1ileA:
29.1		 1qu3A-1ileA:
30.94
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 HIS A  44
GLY A  46
HIS A  47
ASP A 161
VAL A 187
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
None
 1.02A 1qu3A-1n2oA:
undetectable		 1qu3A-1n2oA:
15.52
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.
1qhx PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)

(Streptomyces
venezuelae) 		PF07931
(CPT) 		5 GLY A  10
GLU A 157
HIS A 149
PHE A  95
VAL A  94
 None
 1.41A 1qu3A-1qhxA:
undetectable		 1qu3A-1qhxA:
13.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 GLY A  66
HIS A  64
ASP A 557
GLN A 558
HIS A 585
 MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
 1.37A 1qu3A-1qu2A:
45.8		 1qu3A-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		11 HIS A  64
GLY A  66
HIS A  67
ASN A  70
SER A 531
GLU A 554
ASP A 557
GLN A 558
HIS A 585
PHE A 587
VAL A 588
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 ( 4.2A)
MRC  A1993 ( 4.0A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
MRC  A1993 (-3.5A)
MRC  A1993 (-3.9A)
 0.37A 1qu3A-1qu2A:
45.8		 1qu3A-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 HIS A  67
SER A 565
ASP A 557
GLN A 558
HIS A 585
 MRC  A1993 (-4.1A)
None
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
 1.43A 1qu3A-1qu2A:
45.8		 1qu3A-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 HIS A  67
SER A 566
ASP A 557
GLN A 558
HIS A 585
 MRC  A1993 (-4.1A)
None
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
 1.45A 1qu3A-1qu2A:
45.8		 1qu3A-1qu2A:
100.00
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 HIS A  29
GLY A  31
HIS A  32
ASP A 146
VAL A 172
 CL  A1002 (-4.8A)
None
GOL  A1300 (-4.6A)
None
None
 1.01A 1qu3A-1ufvA:
undetectable		 1qu3A-1ufvA:
15.30
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.
1uhn CALCINEURIN B-LIKE
PROTEIN 2

(Arabidopsis
thaliana) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 GLY A 100
ASN A  68
GLU A  70
ASP A  88
GLN A  73
 None
CA  A 500 ( 4.9A)
None
None
None
 1.44A 1qu3A-1uhnA:
undetectable		 1qu3A-1uhnA:
13.42
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.
2a2l UNKNOWN

(Klebsiella
pneumoniae) 		PF03928
(Haem_degrading) 		5 GLY A 107
SER A 143
GLN A 136
HIS A  79
VAL A 128
 None
 1.36A 1qu3A-2a2lA:
undetectable		 1qu3A-2a2lA:
9.98
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 424
HIS A  55
ASP A  91
HIS A 415
VAL A 390
 None
 1.50A 1qu3A-2ag1A:
undetectable		 1qu3A-2ag1A:
20.44
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.
2avf COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 HIS A 100
HIS A 135
ASN A 151
GLN A 247
LYS A 269
 CU  A 502 ( 3.2A)
CU  A 502 ( 3.3A)
None
None
None
 1.29A 1qu3A-2avfA:
undetectable		 1qu3A-2avfA:
15.68
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
HIS A  24
ASP A 259
HIS A 286
 MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
 0.94A 1qu3A-2ct8A:
29.4		 1qu3A-2ct8A:
22.20
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.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 HIS A  47
GLY A  49
ASP A 189
GLN A 190
HIS A 223
 None
None
None
TYR  A 701 (-3.3A)
None
 0.68A 1qu3A-2cycA:
undetectable		 1qu3A-2cycA:
17.86
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.
2pfi CHLORIDE CHANNEL
PROTEIN CLC-KA

(Homo sapiens) 		PF00571
(CBS) 		5 GLY A 666
ASN A 552
SER A 573
PHE A 657
VAL A 658
 None
 1.28A 1qu3A-2pfiA:
undetectable		 1qu3A-2pfiA:
11.40
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.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 HIS A  88
GLY A  90
HIS A  91
ASP A 246
GLN A 247
 None
YSA  A 384 (-3.5A)
YSA  A 384 (-4.1A)
YSA  A 384 (-3.3A)
YSA  A 384 (-3.2A)
 0.95A 1qu3A-2pidA:
5.6		 1qu3A-2pidA:
18.03
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 GLY A 309
ASN A 328
ASP A 326
GLN A 284
VAL A 332
 None
 1.33A 1qu3A-2qqpA:
undetectable		 1qu3A-2qqpA:
21.35
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 GLY A 369
HIS A 367
SER A 344
GLU A 419
PHE A 371
 None
 1.44A 1qu3A-2qzpA:
undetectable		 1qu3A-2qzpA:
20.65
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.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		5 HIS A 281
ASN A  85
GLU A 263
PHE A 242
VAL A 107
 None
 1.50A 1qu3A-2v84A:
undetectable		 1qu3A-2v84A:
15.97
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 135
GLY A 137
HIS A 138
ASN A 141
VAL A 418
 None
 0.71A 1qu3A-2zufA:
15.9		 1qu3A-2zufA:
22.84
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 HIS A  35
GLY A  37
HIS A  38
ASP A 151
VAL A 177
 PAJ  A 501 (-4.3A)
PAJ  A 501 ( 4.1A)
PAJ  A 501 (-4.2A)
PAJ  A 501 (-3.8A)
PAJ  A 501 (-3.9A)
 1.01A 1qu3A-3ag6A:
undetectable		 1qu3A-3ag6A:
16.87
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 385
ASN A 428
GLU A 510
ASP A 166
HIS A 359
 CL  A 820 ( 4.6A)
PO4  A 810 (-3.1A)
PO4  A 810 (-2.7A)
None
PO4  A 810 (-4.2A)
 1.46A 1qu3A-3cmgA:
undetectable		 1qu3A-3cmgA:
22.95
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 385
ASN A 428
GLU A 510
HIS A 359
VAL A 164
 CL  A 820 ( 4.6A)
PO4  A 810 (-3.1A)
PO4  A 810 (-2.7A)
PO4  A 810 (-4.2A)
None
 1.42A 1qu3A-3cmgA:
undetectable		 1qu3A-3cmgA:
22.95
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.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 GLY A 573
GLU A 565
GLN A 576
PHE A 898
VAL A 899
 None
 1.28A 1qu3A-3cmmA:
undetectable		 1qu3A-3cmmA:
22.66
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.
3ezo MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 ASN A 157
SER A 206
GLN A 247
HIS A  88
VAL A 255
 None
 1.42A 1qu3A-3ezoA:
undetectable		 1qu3A-3ezoA:
17.64
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 GLY A  15
ASN A 209
ASP A   9
HIS A  43
VAL A  13
 None
 1.49A 1qu3A-3h74A:
undetectable		 1qu3A-3h74A:
14.95
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
HIS A  24
HIS A 323
VAL A 326
 None
 0.83A 1qu3A-3h9cA:
7.2		 1qu3A-3h9cA:
22.27
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 1.00A 1qu3A-3innA:
4.8		 1qu3A-3innA:
15.26
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		6 HIS A  87
GLY A  89
HIS A  90
ASP A 216
GLN A 217
VAL A 244
 SO4  A 393 (-3.9A)
TYM  A 400 (-3.6A)
SO4  A 393 ( 3.9A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-3.9A)
 1.06A 1qu3A-3jxeA:
5.7		 1qu3A-3jxeA:
17.99
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 HIS A  90
ASP A 216
GLN A 217
PHE A 243
VAL A 244
 SO4  A 393 ( 3.9A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
None
TYM  A 400 (-3.9A)
 0.95A 1qu3A-3jxeA:
5.7		 1qu3A-3jxeA:
17.99
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 HIS A 225
GLY A 227
HIS A 228
ASP A 486
HIS A 513
 POP  A 802 ( 4.0A)
ME8  A 801 (-3.4A)
POP  A 802 ( 3.8A)
ME8  A 801 ( 2.6A)
ME8  A 801 (-4.6A)
 1.04A 1qu3A-3kflA:
16.0		 1qu3A-3kflA:
21.82
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.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
ASP A 152
VAL A 178
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-4.1A)
AMP  A 501 (-3.6A)
AMP  A 501 (-4.0A)
 1.02A 1qu3A-3q10A:
undetectable		 1qu3A-3q10A:
15.75
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.
3sp1 CYSTEINYL-TRNA
SYNTHETASE

(Borreliella
burgdorferi) 		PF01406
(tRNA-synt_1e) 		5 GLY A 238
HIS A 242
SER A 216
PHE A 266
VAL A 267
 AMP  A 482 ( 3.9A)
AMP  A 482 (-4.2A)
None
None
None
 1.44A 1qu3A-3sp1A:
14.6		 1qu3A-3sp1A:
20.20
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.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  30
GLY A  32
HIS A  33
ASP A 147
VAL A 173
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-4.0A)
MLT  A 284 ( 3.5A)
AMP  A 280 (-3.9A)
 0.98A 1qu3A-3uk2A:
3.8		 1qu3A-3uk2A:
14.27
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		5 GLY A  49
HIS A  52
GLN A 118
PHE A  36
VAL A  45
 None
 1.49A 1qu3A-3x05A:
undetectable		 1qu3A-3x05A:
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 252
ASN A 302
SER A 510
GLN A 303
HIS A 321
 None
 1.39A 1qu3A-4aahA:
undetectable		 1qu3A-4aahA:
21.33
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 GLY A  51
HIS A  52
ASN A  55
SER A 496
VAL A 569
 None
None
None
LEU  A1001 ( 3.7A)
None
 0.47A 1qu3A-4arcA:
32.0		 1qu3A-4arcA:
27.02
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.
4arp PESTICIN

(Yersinia pestis) 		PF16754
(Pesticin) 		5 GLY A 203
ASN A 181
HIS A 185
PHE A 202
VAL A 206
 None
 1.33A 1qu3A-4arpA:
undetectable		 1qu3A-4arpA:
19.06
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A1647
GLY A1665
GLU A1592
GLN A1593
VAL A1670
 None
 1.02A 1qu3A-4c6oA:
undetectable		 1qu3A-4c6oA:
18.31
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.
4di0 RUBRERYTHRIN

(Burkholderia
pseudomallei) 		PF02915
(Rubrerythrin) 		5 GLY A  59
HIS A  58
SER A  79
GLU A  65
PHE A  17
 None
EDO  A 204 (-4.2A)
None
None
None
 1.36A 1qu3A-4di0A:
undetectable		 1qu3A-4di0A:
11.35
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.
4ep0 MAJOR TAIL PROTEIN

(Streptococcus
virus C1) 		PF16838
(Caud_tail_N) 		5 HIS A  22
GLY A 118
ASN A  24
ASP A 516
VAL A 120
 None
 1.32A 1qu3A-4ep0A:
undetectable		 1qu3A-4ep0A:
21.37
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.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 GLY A 622
ASN A 662
SER A 920
PHE A 654
VAL A 653
 None
None
None
KCX  A 718 ( 4.0A)
None
 1.18A 1qu3A-4jx6A:
undetectable		 1qu3A-4jx6A:
21.77
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 HIS A 500
HIS A 491
SER A 101
GLN A 526
PHE A 509
 None
None
FAD  A 601 (-2.7A)
FAD  A 601 (-3.9A)
None
 1.42A 1qu3A-4oalA:
undetectable		 1qu3A-4oalA:
20.34
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.
4oh7 ORNITHINE
CARBAMOYLTRANSFERASE

(Brucella
melitensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ASN A 166
SER A  63
ASP A 142
GLN A 138
VAL A 172
 None
 1.45A 1qu3A-4oh7A:
undetectable		 1qu3A-4oh7A:
16.26
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 HIS B  48
GLY B  50
HIS B  51
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.88A 1qu3A-4oudB:
undetectable		 1qu3A-4oudB:
17.01
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.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS B 208
GLY B 210
GLN B 412
VAL B 444
LYS B 451
 None
 1.15A 1qu3A-4r3zB:
14.5		 1qu3A-4r3zB:
22.44
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.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS B 208
GLY B 210
HIS B 211
VAL B 444
LYS B 451
 None
 1.19A 1qu3A-4r3zB:
14.5		 1qu3A-4r3zB:
22.44
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.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		6 HIS A 136
GLY A 138
HIS A 139
GLN A 340
VAL A 372
LYS A 379
 None
 0.83A 1qu3A-4zajA:
14.9		 1qu3A-4zajA:
21.09
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 GLY A  49
HIS A  50
ASN A  53
SER A 493
VAL A 565
 LSS  A1818 (-3.3A)
LSS  A1818 (-4.0A)
LSS  A1818 (-3.4A)
LSS  A1818 (-3.6A)
LSS  A1818 (-4.0A)
 0.67A 1qu3A-5ah5A:
29.7		 1qu3A-5ah5A:
25.59
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.
5akr COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 HIS A 100
HIS A 135
ASN A 151
GLN A 247
LYS A 269
 CU  A 502 (-3.2A)
CU  A 502 (-3.2A)
None
None
None
 1.28A 1qu3A-5akrA:
undetectable		 1qu3A-5akrA:
17.61
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		5 HIS C 451
ASN C 449
GLU C 396
GLN C 430
VAL C 446
 None
 1.40A 1qu3A-5fttC:
undetectable		 1qu3A-5fttC:
16.58
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.
5h1u TRANSCRIPTION
INTERMEDIARY FACTOR
1-ALPHA

(Homo sapiens) 		no annotation 5 GLY B 835
HIS B 849
ASN B 834
SER B 921
GLN B 833
 None
ZN  B1103 (-3.2A)
None
None
None
 1.50A 1qu3A-5h1uB:
undetectable		 1qu3A-5h1uB:
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 GLY A 401
ASN A 585
SER A 606
GLU A 589
VAL A 450
 None
 1.44A 1qu3A-5im3A:
undetectable		 1qu3A-5im3A:
23.12
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.
5jow NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43A

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		5 HIS A 213
GLY A 252
SER A  50
ASP A 140
VAL A 215
 None
None
None
TRS  A 601 (-3.0A)
None
 1.47A 1qu3A-5jowA:
undetectable		 1qu3A-5jowA:
20.02
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.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 GLY A  22
HIS A  23
ASP A 264
HIS A 291
PHE A 293
 None
 0.66A 1qu3A-5k0tA:
28.6		 1qu3A-5k0tA:
21.64
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.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 5 GLY A 302
ASN A 368
GLN A 279
HIS A 370
PHE A 305
 None
 1.45A 1qu3A-5nf2A:
undetectable		 1qu3A-5nf2A:
6.28
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.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria) 		no annotation 5 HIS A 479
GLY A 560
ASN A 585
GLU A 706
VAL A 568
 None
 1.47A 1qu3A-5o3wA:
undetectable		 1qu3A-5o3wA:
6.17
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY 1 408
HIS 1 407
SER 1  69
ASP 1 415
VAL 1 553
 BCR  1 847 (-3.6A)
CLA  1 830 (-3.9A)
CLA  1 825 ( 4.1A)
None
BCR  1 848 (-4.8A)
 1.29A 1qu3A-5oy01:
undetectable		 1qu3A-5oy01:
8.91
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A 446
ASN A 447
SER A 456
GLN A 450
VAL A 468
 None
 1.35A 1qu3A-5vpuA:
undetectable		 1qu3A-5vpuA:
20.02
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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 HIS A  98
GLY A 102
ASN A 105
HIS A 138
LYS A 265
 None
None
None
None
9TD  A 502 (-4.8A)
 1.31A 1qu3A-5w19A:
undetectable		 1qu3A-5w19A:
7.48
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 GLY A  14
GLU A 217
HIS A 285
PHE A  13
VAL A  51
 None
MG  A 401 ( 2.8A)
None
None
None
 1.34A 1qu3A-5y4jA:
undetectable		 1qu3A-5y4jA:
19.19
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 GLY A 153
HIS A 208
SER A 280
ASP A 102
VAL A 156
 None
MN  A 501 ( 3.5A)
None
NDP  A 502 (-2.6A)
None
 1.39A 1qu3A-5yvsA:
undetectable		 1qu3A-5yvsA:
6.83
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 HIS A 201
GLY A 237
HIS A 254
ASP A 121
VAL A 203
 None
None
None
GOL  A 602 (-3.2A)
None
 1.13A 1qu3A-5z5dA:
undetectable		 1qu3A-5z5dA:
6.19
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 HIS A 201
GLY A 237
SER A  30
ASP A 121
VAL A 203
 None
None
None
GOL  A 602 (-3.2A)
None
 1.43A 1qu3A-5z5dA:
undetectable		 1qu3A-5z5dA:
6.19
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  20
HIS A  18
ASP A 263
HIS A 290
PHE A 292
 ME8  A 801 (-3.6A)
ME8  A 801 (-3.8A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
ME8  A 801 (-4.9A)
 1.32A 1qu3A-6ax8A:
27.5		 1qu3A-6ax8A:
6.23
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  20
HIS A  21
ASP A 263
HIS A 290
PHE A 292
 ME8  A 801 (-3.6A)
ME8  A 801 (-4.3A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
ME8  A 801 (-4.9A)
 0.64A 1qu3A-6ax8A:
27.5		 1qu3A-6ax8A:
6.23
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 HIS A  18
GLY A  20
HIS A  21
ASP A 263
HIS A 290
 ME8  A 801 (-3.8A)
ME8  A 801 (-3.6A)
ME8  A 801 (-4.3A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
 0.62A 1qu3A-6ax8A:
27.5		 1qu3A-6ax8A:
6.23
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.
6fsa -

(-) 		no annotation 5 GLY A 759
HIS A 760
GLU A 507
PHE A 764
VAL A 763
 None
 1.32A 1qu3A-6fsaA:
undetectable		 1qu3A-6fsaA:
undetectable