SIMILAR PATTERNS OF AMINO ACIDS FOR 4AQ7_A_LEUA902

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.
1ad6 RETINOBLASTOMA TUMOR
SUPPRESSOR

(Homo sapiens) 		PF01858
(RB_A) 		4 ASP A 511
SER A 513
GLU A 545
HIS A 549
 None
 1.33A 4aq7A-1ad6A:
0.1		 4aq7A-1ad6A:
13.97
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.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		4 LEU A 364
ASP A 334
SER A 366
GLU A 214
 None
 1.31A 4aq7A-1gl6A:
0.0		 4aq7A-1gl6A:
19.75
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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 LEU A 146
ASP A 162
GLU A 114
HIS A  97
 None
None
None
MN  A 402 ( 3.6A)
 1.09A 4aq7A-1i74A:
2.4		 4aq7A-1i74A:
15.81
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 AZM  A1400 (-3.9A)
None
ZN  A 901 ( 3.1A)
ZN  A 901 ( 3.2A)
 1.23A 4aq7A-1jd0A:
undetectable		 4aq7A-1jd0A:
14.72
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.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		4 LEU A 176
GLU A 109
HIS A 111
HIS A  92
 AZI  A 305 (-4.2A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
 1.24A 4aq7A-1kopA:
undetectable		 4aq7A-1kopA:
14.07
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.
1lc0 BILIVERDIN REDUCTASE
A

(Rattus
norvegicus) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 LEU A 184
ASP A 286
GLU A 181
HIS A 279
 None
 1.27A 4aq7A-1lc0A:
1.8		 4aq7A-1lc0A:
16.00
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 LEU A 370
ASP A 367
GLU A 360
HIS A 358
 None
 1.31A 4aq7A-1mb9A:
undetectable		 4aq7A-1mb9A:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		4 MET A  40
ASP A  80
SER A 504
HIS A 545
 LMS  A1817 ( 3.7A)
NVA  A1816 (-3.9A)
NVA  A1816 ( 4.8A)
NVA  A1816 (-3.5A)
 0.42A 4aq7A-1obhA:
33.7		 4aq7A-1obhA:
45.70
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 AZM  A 400 (-3.7A)
None
ZN  A 601 ( 3.2A)
ZN  A 601 ( 3.3A)
 1.18A 4aq7A-1rj6A:
undetectable		 4aq7A-1rj6A:
14.33
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 None
None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
 1.24A 4aq7A-1urtA:
undetectable		 4aq7A-1urtA:
14.01
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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		4 LEU A 517
ASP A 516
SER A 450
GLU A 343
 None
 1.31A 4aq7A-1vg0A:
2.4		 4aq7A-1vg0A:
21.54
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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		4 MET A 347
LEU A 348
SER A 321
HIS A 312
 None
 1.31A 4aq7A-1vlpA:
undetectable		 4aq7A-1vlpA:
19.73
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.
1xm5 HYPOTHETICAL UPF0054
PROTEIN YBEY

(Escherichia
coli) 		PF02130
(UPF0054) 		4 MET A1141
LEU A1142
ASP A1148
HIS A1110
 None
 1.12A 4aq7A-1xm5A:
undetectable		 4aq7A-1xm5A:
10.31
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		4 LEU A 216
GLU A 133
HIS A 135
HIS A 115
 ACY  A 279 (-4.3A)
None
ZN  A 283 ( 3.1A)
ZN  A 283 ( 3.2A)
 1.27A 4aq7A-1y7wA:
undetectable		 4aq7A-1y7wA:
15.66
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.
2dnw ACYL CARRIER PROTEIN

(Homo sapiens) 		PF00550
(PP-binding) 		4 LEU A  45
ASP A  44
SER A  39
GLU A  33
 None
 1.15A 4aq7A-2dnwA:
undetectable		 4aq7A-2dnwA:
8.99
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 LEU A 148
ASP A 164
GLU A 116
HIS A  99
 None
None
None
MN  A 402 ( 3.7A)
 1.18A 4aq7A-2enxA:
undetectable		 4aq7A-2enxA:
17.78
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 PPF  A 500 (-3.9A)
None
ZN  A 561 ( 3.1A)
ZN  A 561 ( 3.2A)
 1.22A 4aq7A-2it4A:
undetectable		 4aq7A-2it4A:
13.87
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		4 MET A 334
LEU A 335
GLU A 330
HIS A 331
 None
 1.28A 4aq7A-2ja2A:
14.9		 4aq7A-2ja2A:
21.29
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.
2lcj PAB POLC INTEIN

(Pyrococcus
abyssi) 		PF14890
(Intein_splicing) 		4 LEU A 149
ASP A  83
GLU A 123
HIS A 145
 None
 1.25A 4aq7A-2lcjA:
undetectable		 4aq7A-2lcjA:
14.31
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		4 ASP A 114
GLU A 130
HIS A 111
HIS A 133
 POP  A 701 ( 4.8A)
None
NAD  A 601 (-4.3A)
NAD  A 601 (-4.3A)
 1.30A 4aq7A-2qjoA:
undetectable		 4aq7A-2qjoA:
17.51
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 685
SER A 672
GLU A 615
HIS A 610
 None
 1.28A 4aq7A-2qobA:
undetectable		 4aq7A-2qobA:
17.94
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.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		4 MET A 359
LEU A 362
HIS A 307
HIS A  46
 None
 1.17A 4aq7A-2qptA:
2.5		 4aq7A-2qptA:
22.60
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 MET A  59
ASP A  54
SER A  25
GLU A 107
 None
 1.24A 4aq7A-2wc7A:
undetectable		 4aq7A-2wc7A:
20.63
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 MET A 396
ASP A 408
SER A  67
GLU A 405
 None
 1.30A 4aq7A-2yijA:
undetectable		 4aq7A-2yijA:
19.46
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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 None
None
ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
 1.23A 4aq7A-2zncA:
undetectable		 4aq7A-2zncA:
14.06
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 LEU A 403
SER A 382
GLU A 422
HIS A 421
 None
None
CA  A 629 (-2.6A)
None
 0.87A 4aq7A-2zuxA:
undetectable		 4aq7A-2zuxA:
20.91
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 LEU A 500
ASP A 607
GLU A 572
HIS A 573
 None
 1.11A 4aq7A-2zuxA:
undetectable		 4aq7A-2zuxA:
20.91
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 SER A 126
GLU A  13
HIS A  59
HIS A  56
 None
None
ZN  A 208 (-3.2A)
ZN  A 209 (-3.2A)
 1.27A 4aq7A-2zwrA:
undetectable		 4aq7A-2zwrA:
13.68
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 MET A 400
LEU A 401
SER A 412
GLU A 132
 None
 1.05A 4aq7A-3a2qA:
undetectable		 4aq7A-3a2qA:
20.47
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 MET A 511
LEU A 512
ASP A 509
HIS A 480
 None
 1.28A 4aq7A-3ai7A:
undetectable		 4aq7A-3ai7A:
21.49
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ASP A  59
SER A  55
GLU A  65
HIS A  64
 None
 1.30A 4aq7A-3anxA:
undetectable		 4aq7A-3anxA:
17.25
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 LEU A 259
GLU A 180
HIS A 182
HIS A 163
 None
None
ZN  A 378 (-3.1A)
ZN  A 378 (-3.2A)
 1.27A 4aq7A-3b1bA:
undetectable		 4aq7A-3b1bA:
18.91
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.
3b95 EUCHROMATIC
HISTONE-LYSINE
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 ASP A 774
SER A 772
GLU A 751
HIS A 747
 None
 1.26A 4aq7A-3b95A:
undetectable		 4aq7A-3b95A:
15.23
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		4 LEU A 423
SER A 583
GLU A 444
HIS A 555
 None
 1.02A 4aq7A-3bxzA:
2.1		 4aq7A-3bxzA:
20.00
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.
3c8c METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		4 LEU A 195
ASP A 188
SER A 189
GLU A 104
 None
 1.32A 4aq7A-3c8cA:
2.4		 4aq7A-3c8cA:
15.31
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 ASP A 315
SER A 317
GLU A 521
HIS A 520
 None
 1.29A 4aq7A-3ciaA:
undetectable		 4aq7A-3ciaA:
22.13
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 199
GLU A 118
HIS A 120
HIS A  95
 4MD  A 401 (-4.2A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.6A)
 1.14A 4aq7A-3da2A:
undetectable		 4aq7A-3da2A:
14.81
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		4 LEU A 261
ASP A 313
GLU A 182
HIS A 180
 None
ZN  A 502 (-2.7A)
None
ZN  A 501 (-3.1A)
 1.26A 4aq7A-3dc8A:
undetectable		 4aq7A-3dc8A:
20.22
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 219
GLU A 136
HIS A 138
HIS A 111
 None
None
MG  A 901 (-3.2A)
MG  A 901 (-3.4A)
 1.33A 4aq7A-3fe4A:
undetectable		 4aq7A-3fe4A:
14.59
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.
3fq8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		4 LEU A1332
SER A1411
GLU A1416
HIS A1414
 None
 1.27A 4aq7A-3fq8A:
undetectable		 4aq7A-3fq8A:
19.80
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.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		4 LEU A 223
ASP A 196
GLU A  71
HIS A  73
 None
 1.15A 4aq7A-3kv6A:
undetectable		 4aq7A-3kv6A:
18.97
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.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		4 LEU A 111
SER A 211
GLU A  78
HIS A 187
 None
 1.13A 4aq7A-3majA:
1.6		 4aq7A-3majA:
19.05
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 AZM  A 264 (-3.4A)
None
ZN  A 263 ( 3.1A)
ZN  A 263 ( 3.2A)
 1.20A 4aq7A-3ml5A:
undetectable		 4aq7A-3ml5A:
15.50
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 SER A 230
GLU A 302
HIS A 304
HIS A 225
 None
 1.30A 4aq7A-3nzuA:
2.5		 4aq7A-3nzuA:
22.63
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		4 LEU A 214
GLU A 140
HIS A 142
HIS A 123
 MLT  A   3 ( 4.2A)
None
ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
 1.26A 4aq7A-3q31A:
undetectable		 4aq7A-3q31A:
14.42
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 4 LEU M 355
SER M 351
HIS M 322
HIS M 348
 None
 1.27A 4aq7A-3rkoM:
3.4		 4aq7A-3rkoM:
19.50
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.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		4 LEU A 110
SER A 133
GLU A 150
HIS A 148
 None
 1.23A 4aq7A-3t32A:
undetectable		 4aq7A-3t32A:
17.06
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.
3t6a BREAST CANCER
ANTI-ESTROGEN
RESISTANCE PROTEIN 3

(Homo sapiens) 		PF00617
(RasGEF) 		4 MET A 711
LEU A 709
SER A 648
HIS A 602
 None
 1.25A 4aq7A-3t6aA:
undetectable		 4aq7A-3t6aA:
17.93
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 MET B 346
ASP B 349
SER B 823
GLU B 213
 None
 1.19A 4aq7A-3v0aB:
undetectable		 4aq7A-3v0aB:
19.67
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 4 MET A 161
ASP A 167
HIS A 143
HIS A 140
 None
 1.18A 4aq7A-3w36A:
undetectable		 4aq7A-3w36A:
20.35
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 LEU A 239
ASP A 295
SER A 294
GLU A 633
 None
 1.23A 4aq7A-3wfaA:
undetectable		 4aq7A-3wfaA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		6 MET A  43
ASP A  84
SER A 324
GLU A 366
HIS A 367
HIS A 371
 LSS  A1638 (-3.9A)
LSS  A1638 (-3.7A)
LSS  A1638 ( 3.9A)
LSS  A1638 (-3.0A)
LSS  A1638 (-3.8A)
LSS  A1638 (-3.7A)
 0.78A 4aq7A-3ziuA:
29.5		 4aq7A-3ziuA:
31.41
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.
4a20 UBIQUITIN-LIKE
PROTEIN MDY2

(Saccharomyces
cerevisiae) 		PF00240
(ubiquitin) 		4 LEU A 132
ASP A  96
SER A  93
HIS A  90
 None
 1.31A 4aq7A-4a20A:
2.7		 4aq7A-4a20A:
7.64
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		4 ASP A   8
SER A   9
GLU A 174
HIS A 171
 None
 1.26A 4aq7A-4a39A:
undetectable		 4aq7A-4a39A:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		6 MET A  40
LEU A  41
ASP A  80
SER A 496
HIS A 533
HIS A 537
 LEU  A1001 ( 4.3A)
LEU  A1001 (-4.9A)
LEU  A1001 (-3.9A)
LEU  A1001 ( 3.7A)
LEU  A1001 (-4.2A)
LEU  A1001 (-3.6A)
 0.53A 4aq7A-4arcA:
39.0		 4aq7A-4arcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		6 MET A  40
LEU A  41
SER A 496
GLU A 532
HIS A 533
HIS A 537
 LEU  A1001 ( 4.3A)
LEU  A1001 (-4.9A)
LEU  A1001 ( 3.7A)
None
LEU  A1001 (-4.2A)
LEU  A1001 (-3.6A)
 0.91A 4aq7A-4arcA:
39.0		 4aq7A-4arcA:
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.
4b09 TRANSCRIPTIONAL
REGULATORY PROTEIN
BAER

(Escherichia
coli) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 MET A  63
LEU A  62
GLU A  17
HIS A  42
 None
 1.18A 4aq7A-4b09A:
3.7		 4aq7A-4b09A:
14.87
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.
4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 MET A 300
LEU A 299
SER A 295
GLU A  42
 None
 1.12A 4aq7A-4bkmA:
undetectable		 4aq7A-4bkmA:
16.00
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.
4e37 CATALASE

(Pseudomonas
aeruginosa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASP A 253
SER A 248
GLU A 223
HIS A 191
 None
 1.29A 4aq7A-4e37A:
undetectable		 4aq7A-4e37A:
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		4 LEU A 170
ASP A 259
GLU A 212
HIS A 175
 None
 1.13A 4aq7A-4ft2A:
undetectable		 4aq7A-4ft2A:
22.48
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.
4fyu THIOREDOXIN

(Wuchereria
bancrofti) 		PF13905
(Thioredoxin_8) 		4 LEU A  75
ASP A  69
GLU A  81
HIS A  83
 None
 1.20A 4aq7A-4fyuA:
undetectable		 4aq7A-4fyuA:
9.95
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.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		4 LEU A 173
GLU A 106
HIS A 108
HIS A  89
 AZM  A 302 (-3.8A)
None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
 1.24A 4aq7A-4g7aA:
undetectable		 4aq7A-4g7aA:
15.98
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 MET A  87
LEU A  53
ASP A  96
HIS A 123
 None
 1.32A 4aq7A-4jn6A:
undetectable		 4aq7A-4jn6A:
17.63
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.
4l9m RAS GUANYL-RELEASING
PROTEIN 1

(Homo sapiens) 		PF00130
(C1_1)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF13405
(EF-hand_6) 		4 LEU A 199
ASP A 408
GLU A 404
HIS A 212
 None
 1.26A 4aq7A-4l9mA:
2.8		 4aq7A-4l9mA:
20.90
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.
4oic PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C) 		4 LEU B 348
ASP B 356
SER B 353
GLU B 163
 None
 1.29A 4aq7A-4oicB:
undetectable		 4aq7A-4oicB:
18.99
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 MET A 194
LEU A 195
ASP A 449
SER A 446
 None
 1.04A 4aq7A-4q73A:
undetectable		 4aq7A-4q73A:
23.42
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.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 None
None
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
 1.26A 4aq7A-4qk3A:
undetectable		 4aq7A-4qk3A:
15.04
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.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		4 LEU A  27
SER A 227
GLU A  35
HIS A  36
 None
 1.12A 4aq7A-4tlvA:
2.2		 4aq7A-4tlvA:
20.42
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		4 LEU A 265
ASP A 317
GLU A 186
HIS A 184
 None
ZN  A 501 (-2.8A)
None
ZN  A 502 (-3.3A)
 1.25A 4aq7A-4tqtA:
undetectable		 4aq7A-4tqtA:
21.66
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  86
SER A 101
GLU A 298
HIS A 151
 None
 1.23A 4aq7A-4uekA:
undetectable		 4aq7A-4uekA:
17.85
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		4 LEU A 197
GLU A 129
HIS A 131
HIS A 112
 AZM  A 299 (-3.8A)
None
ZN  A 298 ( 3.2A)
ZN  A 298 (-3.2A)
 1.24A 4aq7A-4uovA:
undetectable		 4aq7A-4uovA:
13.35
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		4 LEU A 173
GLU A 106
HIS A 108
HIS A  89
 AZM  A 302 (-3.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
 1.27A 4aq7A-4x5sA:
undetectable		 4aq7A-4x5sA:
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 LEU A 253
GLU A 177
HIS A 179
HIS A 160
 2HP  A 402 (-3.4A)
None
ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.2A)
 1.20A 4aq7A-4xixA:
undetectable		 4aq7A-4xixA:
14.30
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.
4xxh HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TRER

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 MET A 270
LEU A 269
GLU A 276
HIS A 274
 None
 1.25A 4aq7A-4xxhA:
3.3		 4aq7A-4xxhA:
15.18
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.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		4 LEU A 251
GLU A 182
HIS A 184
HIS A 165
 BCT  A 402 (-3.8A)
None
ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.2A)
 1.24A 4aq7A-4xz5A:
undetectable		 4aq7A-4xz5A:
14.36
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 MET A  93
ASP A 149
GLU A  62
HIS A 261
 None
ZN  A 402 ( 2.6A)
None
C6L  A 403 (-3.8A)
 1.24A 4aq7A-4zo3A:
undetectable		 4aq7A-4zo3A:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		6 MET A  38
ASP A  78
SER A 493
GLU A 528
HIS A 529
HIS A 533
 LSS  A1818 (-3.9A)
LSS  A1818 (-3.6A)
LSS  A1818 (-3.6A)
LSS  A1818 (-2.9A)
LSS  A1818 (-4.0A)
LSS  A1818 (-3.6A)
 0.90A 4aq7A-5ah5A:
32.4		 4aq7A-5ah5A:
38.53
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 520  A 302 (-3.6A)
None
ZN  A 301 ( 3.1A)
ZN  A 301 (-3.2A)
 1.23A 4aq7A-5cjfA:
undetectable		 4aq7A-5cjfA:
15.00
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		4 LEU X 196
GLU X 116
HIS X 118
HIS X  93
 None
None
ZN  X 301 (-3.1A)
ZN  X 301 (-3.2A)
 1.23A 4aq7A-5eztX:
undetectable		 4aq7A-5eztX:
14.69
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		4 LEU A 375
ASP A 225
SER A 229
HIS A 379
 None
 1.18A 4aq7A-5gneA:
undetectable		 4aq7A-5gneA:
18.00
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		4 LEU A 160
GLU A 182
HIS A 183
HIS A 184
 None
 1.30A 4aq7A-5hmmA:
undetectable		 4aq7A-5hmmA:
15.90
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 LEU A 619
GLU A 599
HIS A 521
HIS A 520
 None
MG  A 702 (-2.5A)
MG  A 702 (-3.5A)
None
 1.24A 4aq7A-5hmqA:
undetectable		 4aq7A-5hmqA:
22.73
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.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		4 LEU A 181
GLU A 113
HIS A 115
HIS A  96
 None
None
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
 1.28A 4aq7A-5hpjA:
undetectable		 4aq7A-5hpjA:
13.78
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		4 ASP A 165
SER A 164
GLU A 122
HIS A 118
 None
 0.91A 4aq7A-5hxwA:
undetectable		 4aq7A-5hxwA:
20.41
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.
5icl LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		4 MET A 196
ASP A 192
SER A 190
GLU A 204
 None
 1.10A 4aq7A-5iclA:
undetectable		 4aq7A-5iclA:
17.87
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 EZL  A 302 (-3.5A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
 1.19A 4aq7A-5jn9A:
undetectable		 4aq7A-5jn9A:
14.89
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A 423
SER A 583
GLU A 444
HIS A 555
 None
 1.25A 4aq7A-5k9tA:
undetectable		 4aq7A-5k9tA:
21.97
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.
5kc9 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-1

(Mus musculus) 		PF01094
(ANF_receptor) 		4 LEU A 323
ASP A  37
SER A  93
GLU A 261
 None
 1.16A 4aq7A-5kc9A:
undetectable		 4aq7A-5kc9A:
18.84
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.
5kjo ENDOGLUCANASE V-LIKE
PROTEIN

(Phanerochaete
chrysosporium) 		no annotation 4 LEU A 133
ASP A  65
GLU A  94
HIS A 107
 None
 1.15A 4aq7A-5kjoA:
undetectable		 4aq7A-5kjoA:
12.45
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.
5lts RNA-DIRECTED RNA
POLYMERASE L

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF17296
(ArenaCapSnatch) 		4 LEU A  21
ASP A  18
HIS A  63
HIS A  61
 None
 1.09A 4aq7A-5ltsA:
undetectable		 4aq7A-5ltsA:
15.16
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.
5n6n PROTEIN BMH1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 218
SER A 219
GLU A 118
HIS A 169
 None
 0.99A 4aq7A-5n6nA:
4.2		 4aq7A-5n6nA:
13.44
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 LEU A  60
ASP A  65
GLU A  57
HIS A  76
 None
 1.11A 4aq7A-5n8oA:
undetectable		 4aq7A-5n8oA:
19.99
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		4 MET A 122
ASP A 318
SER A 313
HIS A 301
 None
 1.33A 4aq7A-5uibA:
undetectable		 4aq7A-5uibA:
17.22
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.
5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF07034
(ORC3_N) 		4 MET A 199
LEU A 200
ASP A 196
HIS A 240
 None
 1.31A 4aq7A-5uj8A:
2.2		 4aq7A-5uj8A:
22.41
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 264
ASP A 316
GLU A 185
HIS A 183
 None
ZN  A 502 (-2.9A)
None
ZN  A 501 (-3.3A)
 1.26A 4aq7A-5ykdA:
undetectable		 4aq7A-5ykdA:
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.
6by9 HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		no annotation 4 ASP A 805
SER A 803
GLU A 782
HIS A 778
 None
 1.31A 4aq7A-6by9A:
undetectable		 4aq7A-6by9A:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 LEU A 455
ASP A 214
SER A 215
GLU A   5
 None
 1.28A 4aq7A-6c62A:
undetectable		 4aq7A-6c62A:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 4 LEU A 201
GLU A 134
HIS A 136
HIS A 117
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.3A)
 1.25A 4aq7A-6ekiA:
undetectable		 4aq7A-6ekiA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 ASP A 459
SER A 461
GLU A 249
HIS A 234
 None
 1.17A 4aq7A-6etzA:
undetectable		 4aq7A-6etzA:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 4 LEU A 198
GLU A 117
HIS A 119
HIS A  94
 V14  A 302 (-3.6A)
None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
 1.27A 4aq7A-6fe1A:
undetectable		 4aq7A-6fe1A:
undetectable