SIMILAR PATTERNS OF AMINO ACIDS FOR 5QGR_A_ACTA301

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.
1f8y NUCLEOSIDE
2-DEOXYRIBOSYLTRANSF
ERASE

(Lactobacillus
leichmannii) 		PF05014
(Nuc_deoxyrib_tr) 		3 VAL A  85
TYR A  21
GLN A  17
 None
 0.75A 5qgrA-1f8yA:
undetectable		 5qgrA-1f8yA:
20.10
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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		3 VAL A 337
TYR A 419
GLN A 420
 None
 0.71A 5qgrA-1fc9A:
0.0		 5qgrA-1fc9A:
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		3 VAL A  53
TYR A  73
GLN A  74
 None
 0.60A 5qgrA-1jjiA:
0.0		 5qgrA-1jjiA:
22.26
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.
1nui DNA PRIMASE/HELICASE

(Escherichia
virus T7) 		PF08273
(Prim_Zn_Ribbon)
PF13155
(Toprim_2) 		3 VAL A 123
TYR A 106
GLN A 107
 None
 0.56A 5qgrA-1nuiA:
0.0		 5qgrA-1nuiA:
19.01
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 VAL A 268
TYR A 161
GLN A 162
 None
 0.58A 5qgrA-1t4bA:
0.0		 5qgrA-1t4bA:
23.13
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		3 VAL A 172
TYR A 149
GLN A 150
 None
 0.52A 5qgrA-1to6A:
0.0		 5qgrA-1to6A:
18.41
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.
1tr8 CONSERVED PROTEIN
(MTH177)

(Methanothermobacter
marburgensis) 		PF01849
(NAC) 		3 VAL A  51
TYR A  62
GLN A  63
 None
 0.61A 5qgrA-1tr8A:
undetectable		 5qgrA-1tr8A:
16.84
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.
1u3e HNH HOMING
ENDONUCLEASE

(Bacillus virus
SPO1) 		PF07463
(NUMOD4)
PF13392
(HNH_3) 		3 VAL M  21
TYR M  13
GLN M  14
 None
None
TRS  M 404 (-3.4A)
 0.69A 5qgrA-1u3eM:
0.1		 5qgrA-1u3eM:
20.39
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.
1va9 DOWN SYNDROME CELL
ADHESION MOLECULE
LIKE-PROTEIN 1B

(Homo sapiens) 		PF00041
(fn3) 		3 VAL A  95
TYR A  51
GLN A  52
 None
 0.63A 5qgrA-1va9A:
0.0		 5qgrA-1va9A:
18.75
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.
1vmp PROTEIN (ANTI-HIV
CHEMOKINE MIP VII)

(Human
gammaherpesvirus
8) 		PF00048
(IL8) 		3 VAL A  62
TYR A  18
GLN A  19
 None
 0.65A 5qgrA-1vmpA:
0.0		 5qgrA-1vmpA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		3 VAL A  10
TYR A 170
GLN A 171
 None
 0.58A 5qgrA-1vraA:
undetectable		 5qgrA-1vraA:
23.71
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.
1wgo VPS10
DOMAIN-CONTAINING
RECEPTOR SORCS2

(Homo sapiens) 		PF00801
(PKD) 		3 VAL A 100
TYR A  64
GLN A  65
 None
 0.74A 5qgrA-1wgoA:
undetectable		 5qgrA-1wgoA:
20.79
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.
1wry SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN

(Homo sapiens) 		PF04908
(SH3BGR) 		3 VAL A  30
TYR A  86
GLN A  27
 None
 0.75A 5qgrA-1wryA:
undetectable		 5qgrA-1wryA:
19.29
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.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 VAL A 327
TYR A 241
GLN A 237
 None
 0.61A 5qgrA-1wy2A:
undetectable		 5qgrA-1wy2A:
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		3 VAL A 329
TYR A 265
GLN A 266
 None
 0.63A 5qgrA-1x9sA:
undetectable		 5qgrA-1x9sA:
14.58
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		3 VAL A 166
TYR A 146
GLN A 117
 None
 0.72A 5qgrA-1ynqA:
undetectable		 5qgrA-1ynqA:
21.78
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.
1ztv HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF01904
(DUF72) 		3 VAL A 150
TYR A 145
GLN A 146
 None
 0.71A 5qgrA-1ztvA:
undetectable		 5qgrA-1ztvA:
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		3 VAL A  80
TYR A  77
GLN A  78
 None
 0.76A 5qgrA-2csdA:
undetectable		 5qgrA-2csdA:
16.76
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.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		3 VAL A   8
TYR A  30
GLN A  31
 None
 0.73A 5qgrA-2detA:
undetectable		 5qgrA-2detA:
20.33
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.
2dm0 TYROSINE-PROTEIN
KINASE TXK

(Homo sapiens) 		PF00017
(SH2) 		3 VAL A  83
TYR A  71
GLN A  72
 None
 0.67A 5qgrA-2dm0A:
undetectable		 5qgrA-2dm0A:
20.11
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.
2g0f THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		3 VAL A  64
TYR A  60
GLN A  61
 None
 0.65A 5qgrA-2g0fA:
undetectable		 5qgrA-2g0fA:
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.
2go9 U4/U6
SNRNA-ASSOCIATED
SPLICING FACTOR
PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		3 VAL A  34
TYR A  22
GLN A  18
 None
 0.69A 5qgrA-2go9A:
undetectable		 5qgrA-2go9A:
23.04
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		3 VAL A 354
TYR A 331
GLN A 332
 None
 0.72A 5qgrA-2iceA:
undetectable		 5qgrA-2iceA:
14.09
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.
2l66 TRANSCRIPTIONAL
REGULATOR, ABRB
FAMILY

(Sulfolobus
solfataricus) 		PF04014
(MazE_antitoxin) 		3 VAL A   9
TYR A  13
GLN A  14
 None
 0.70A 5qgrA-2l66A:
undetectable		 5qgrA-2l66A:
19.66
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		3 VAL B 558
TYR B 556
GLN B 572
 None
 0.68A 5qgrA-2o8eB:
undetectable		 5qgrA-2o8eB:
12.00
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.
2qz9 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 VAL A 240
TYR A 159
GLN A 160
 None
 0.56A 5qgrA-2qz9A:
undetectable		 5qgrA-2qz9A:
19.71
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.
2rop COPPER-TRANSPORTING
ATPASE 2

(Homo sapiens) 		PF00403
(HMA) 		3 VAL A  62
TYR A  64
GLN A  49
 None
 0.55A 5qgrA-2ropA:
undetectable		 5qgrA-2ropA:
20.70
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		3 VAL A 130
TYR A  69
GLN A  70
 None
 0.65A 5qgrA-2uvfA:
undetectable		 5qgrA-2uvfA:
15.79
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.
2vnl BIFUNCTIONAL TAIL
PROTEIN, PIIGCN4

(Saccharomyces
cerevisiae;
Salmonella
virus P22) 		PF09008
(Head_binding) 		3 VAL A  80
TYR A  75
GLN A  78
 None
GOL  A 283 (-4.3A)
None
 0.75A 5qgrA-2vnlA:
undetectable		 5qgrA-2vnlA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xiv HYPOTHETICAL
INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		3 VAL A 467
TYR A 406
GLN A 405
 None
 0.73A 5qgrA-2xivA:
undetectable		 5qgrA-2xivA:
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.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 VAL A 232
TYR A 151
GLN A 152
 None
 0.50A 5qgrA-2yv3A:
undetectable		 5qgrA-2yv3A:
19.52
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.
2yxm MYOSIN-BINDING
PROTEIN C, SLOW-TYPE

(Homo sapiens) 		PF07679
(I-set) 		3 VAL A  26
TYR A  18
GLN A  19
 None
 0.51A 5qgrA-2yxmA:
undetectable		 5qgrA-2yxmA:
17.17
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.
3dbx CD1-2 ANTIGEN

(Gallus gallus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		3 VAL A 241
TYR A 249
GLN A 250
 None
 0.64A 5qgrA-3dbxA:
undetectable		 5qgrA-3dbxA:
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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		3 VAL A  74
TYR A  36
GLN A  32
 None
 0.73A 5qgrA-3e15A:
undetectable		 5qgrA-3e15A:
18.35
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		3 VAL A 270
TYR A 291
GLN A 293
 None
 0.73A 5qgrA-3eufA:
undetectable		 5qgrA-3eufA:
19.23
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.
3gdz ARGINYL-TRNA
SYNTHETASE

(Klebsiella
pneumoniae) 		PF03485
(Arg_tRNA_synt_N) 		3 VAL A  28
TYR A  39
GLN A  40
 None
None
EDO  A 107 ( 2.9A)
 0.57A 5qgrA-3gdzA:
undetectable		 5qgrA-3gdzA:
18.37
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.
3gf8 PUTATIVE
POLYSACCHARIDE
BINDING PROTEINS
(DUF1812)

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		3 VAL A  64
TYR A  98
GLN A  99
 None
 0.65A 5qgrA-3gf8A:
undetectable		 5qgrA-3gf8A:
23.75
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.
3gpr RHODOCETIN SUBUNIT
GAMMA

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		3 VAL C3128
TYR C3016
GLN C3017
 None
 0.75A 5qgrA-3gprC:
undetectable		 5qgrA-3gprC:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h20 REPLICATION PROTEIN
B

(Plasmid RSF1010) 		PF16793
(RepB_primase) 		3 VAL A  97
TYR A 105
GLN A 106
 None
 0.58A 5qgrA-3h20A:
undetectable		 5qgrA-3h20A:
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		3 VAL A 344
TYR A 321
GLN A 322
 None
 0.59A 5qgrA-3hs0A:
undetectable		 5qgrA-3hs0A:
16.39
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.
3id6 PRE MRNA SPLICING
PROTEIN

(Sulfolobus
solfataricus) 		PF01798
(Nop) 		3 VAL A  63
TYR A  79
GLN A  75
 None
 0.71A 5qgrA-3id6A:
undetectable		 5qgrA-3id6A:
20.13
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.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		3 VAL s  93
TYR s 231
GLN s 232
 None
 0.74A 5qgrA-3j7ys:
undetectable		 5qgrA-3j7ys:
20.26
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.
3jvg T-CELL SURFACE
GLYCOPROTEIN CD1A1
ANTIGEN

(Gallus gallus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		3 VAL A 234
TYR A 242
GLN A 243
 None
 0.59A 5qgrA-3jvgA:
undetectable		 5qgrA-3jvgA:
21.00
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.
3kd3 PHOSPHOSERINE
PHOSPHOHYDROLASE-LIK
E PROTEIN

(Francisella
tularensis) 		PF12710
(HAD) 		3 VAL A 197
TYR A 171
GLN A  45
 None
 0.65A 5qgrA-3kd3A:
undetectable		 5qgrA-3kd3A:
20.85
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.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		3 VAL A  80
TYR A  77
GLN A  78
 None
 0.66A 5qgrA-3m7gA:
undetectable		 5qgrA-3m7gA:
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		3 VAL A  91
TYR A 114
GLN A 115
 None
 0.67A 5qgrA-3texA:
undetectable		 5qgrA-3texA:
14.68
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 VAL A 250
TYR A 156
GLN A 157
 None
None
CYS  A 401 (-4.1A)
 0.58A 5qgrA-3tz6A:
undetectable		 5qgrA-3tz6A:
20.17
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.
3ufg GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT

(Campylobacter
jejuni) 		PF02091
(tRNA-synt_2e) 		3 VAL A  53
TYR A  75
GLN A  76
 None
None
ATP  A 288 ( 4.3A)
 0.56A 5qgrA-3ufgA:
undetectable		 5qgrA-3ufgA:
20.53
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		3 VAL A 524
TYR A 519
GLN A 520
 None
 0.68A 5qgrA-3vmnA:
undetectable		 5qgrA-3vmnA:
13.69
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.
4bz4 COPPER-REPRESSIBLE
POLYPEPTIDE

(Methylomicrobium
album) 		no annotation 3 VAL A  96
TYR A 192
GLN A 193
 None
 0.74A 5qgrA-4bz4A:
undetectable		 5qgrA-4bz4A:
21.94
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.
4eln TYPE III EFFECTOR
XOPAI

(Xanthomonas
citri) 		PF01129
(ART) 		3 VAL A 276
TYR A 215
GLN A 216
 None
 0.68A 5qgrA-4elnA:
undetectable		 5qgrA-4elnA:
20.26
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		3 VAL A 109
TYR A  86
GLN A  87
 None
 0.73A 5qgrA-4f9dA:
undetectable		 5qgrA-4f9dA:
15.91
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 VAL A1335
TYR A1384
GLN A1385
 None
 0.38A 5qgrA-4fbqA:
undetectable		 5qgrA-4fbqA:
18.33
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 3 VAL B 335
TYR B 384
GLN B 385
 None
 0.45A 5qgrA-4fcxB:
undetectable		 5qgrA-4fcxB:
18.20
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 VAL A  15
TYR A 345
GLN A 341
 None
 0.75A 5qgrA-4inaA:
undetectable		 5qgrA-4inaA:
21.19
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.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Synechococcus
sp. PCC 7002) 		PF00171
(Aldedh) 		3 VAL A 446
TYR A 118
GLN A 119
 EDO  A 504 ( 4.6A)
None
None
 0.53A 5qgrA-4itaA:
undetectable		 5qgrA-4itaA:
16.45
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		3 VAL A 320
TYR A 306
GLN A 302
 None
 0.61A 5qgrA-4j5uA:
undetectable		 5qgrA-4j5uA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 VAL A 404
TYR A 509
GLN A 510
 None
 0.72A 5qgrA-4kxbA:
undetectable		 5qgrA-4kxbA:
11.95
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.
4kyz DESIGNED PROTEIN
OR327

(synthetic
construct) 		no annotation 3 VAL A  23
TYR A  21
GLN A   5
 None
 0.69A 5qgrA-4kyzA:
undetectable		 5qgrA-4kyzA:
22.69
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.
4mkn TRIOSEPHOSPHATE
ISOMERASE

(Chlamydomonas
reinhardtii) 		PF00121
(TIM) 		3 VAL A  41
TYR A  59
GLN A  60
 None
 0.53A 5qgrA-4mknA:
undetectable		 5qgrA-4mknA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		3 VAL A 630
TYR A 640
GLN A 628
 None
 0.75A 5qgrA-4nmeA:
undetectable		 5qgrA-4nmeA:
12.69
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.
4o6d NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		3 VAL B 273
TYR B 323
GLN B 324
 None
 0.54A 5qgrA-4o6dB:
undetectable		 5qgrA-4o6dB:
19.83
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.
4oie NON-STRUCTURAL
PROTEIN NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		3 VAL A 273
TYR A 323
GLN A 324
 None
 0.61A 5qgrA-4oieA:
undetectable		 5qgrA-4oieA:
20.19
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		3 VAL X1205
TYR X1144
GLN X1143
 None
 0.71A 5qgrA-4q4gX:
undetectable		 5qgrA-4q4gX:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uj7 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF02368
(Big_2) 		3 VAL A 680
TYR A 653
GLN A 654
 None
 0.66A 5qgrA-4uj7A:
undetectable		 5qgrA-4uj7A:
19.91
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.
4woj ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Francisella
tularensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 VAL A 264
TYR A 161
GLN A 162
 None
 0.57A 5qgrA-4wojA:
undetectable		 5qgrA-4wojA:
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.
4ywr PUTATIVE
HYDROXYMETHYLPYRIMID
INE
KINASE/PHOSPHOMETHYL
PYRIMIDINE KINASE

(Acinetobacter
baumannii) 		PF08543
(Phos_pyr_kin) 		3 VAL A  83
TYR A 107
GLN A 108
 None
 0.75A 5qgrA-4ywrA:
undetectable		 5qgrA-4ywrA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		3 VAL A  30
TYR A  41
GLN A  42
 None
 0.59A 5qgrA-4zajA:
undetectable		 5qgrA-4zajA:
16.70
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		3 VAL A 437
TYR A 462
GLN A 463
 None
 0.74A 5qgrA-4zcfA:
undetectable		 5qgrA-4zcfA:
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.
4zdm GLUTAMATE RECEPTOR
KAINATE-LIKE PROTEIN

(Pleurobrachia
bachei) 		PF10613
(Lig_chan-Glu_bd) 		3 VAL A 187
TYR A 139
GLN A 140
 None
 0.68A 5qgrA-4zdmA:
undetectable		 5qgrA-4zdmA:
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.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		3 VAL A 325
TYR A 286
GLN A 287
 None
 0.72A 5qgrA-4zu9A:
undetectable		 5qgrA-4zu9A:
14.78
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.
5b22 NECTIN-3

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		3 VAL A  63
TYR A  59
GLN A  60
 None
 0.72A 5qgrA-5b22A:
undetectable		 5qgrA-5b22A:
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.
5bnt ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 3 VAL C 269
TYR C 161
GLN C 162
 None
 0.56A 5qgrA-5bntC:
undetectable		 5qgrA-5bntC:
21.58
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.
5cth BIDIRECTIONAL SUGAR
TRANSPORTER SWEET2B

(Oryza sativa) 		PF03083
(MtN3_slv) 		3 VAL A 163
TYR A 211
GLN A 207
 None
 0.72A 5qgrA-5cthA:
undetectable		 5qgrA-5cthA:
23.81
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		3 VAL A 161
TYR A 196
GLN A 197
 None
 0.66A 5qgrA-5eyyA:
undetectable		 5qgrA-5eyyA:
22.71
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		3 VAL A  53
TYR A  75
GLN A  76
 None
None
G5A  A 300 (-3.3A)
 0.64A 5qgrA-5f5wA:
undetectable		 5qgrA-5f5wA:
19.10
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.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 3 VAL A 680
TYR A 653
GLN A 654
 None
 0.59A 5qgrA-5ftxA:
undetectable		 5qgrA-5ftxA:
15.36
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		3 VAL A  50
TYR A  72
GLN A  73
 None
 0.75A 5qgrA-5ghaA:
undetectable		 5qgrA-5ghaA:
20.62
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		3 VAL A  80
TYR A  77
GLN A  78
 None
 0.72A 5qgrA-5hm5A:
undetectable		 5qgrA-5hm5A:
13.43
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.
5ikn DNA PRIMASE/HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C)
PF13155
(Toprim_2) 		3 VAL D 123
TYR D 106
GLN D 107
 None
 0.63A 5qgrA-5iknD:
undetectable		 5qgrA-5iknD:
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.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 3 VAL A 449
TYR A 306
GLN A 302
 None
 0.73A 5qgrA-5mc5A:
undetectable		 5qgrA-5mc5A:
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.
5mm2 CAPSID PROTEIN VP4A

(Nora virus) 		no annotation 3 VAL C  43
TYR C  61
GLN C  62
 None
 0.73A 5qgrA-5mm2C:
undetectable		 5qgrA-5mm2C:
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.
5n5p PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 3 VAL A 835
TYR A 844
GLN A 783
 None
 0.69A 5qgrA-5n5pA:
undetectable		 5qgrA-5n5pA:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 3 VAL A 302
TYR A 294
GLN A 293
 None
 0.75A 5qgrA-5ngyA:
undetectable		 5qgrA-5ngyA:
9.04
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.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 3 VAL A 172
TYR A 165
GLN A 166
 None
 0.61A 5qgrA-5oshA:
undetectable		 5qgrA-5oshA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7

(Homo sapiens) 		PF00293
(NUDIX) 		3 VAL A  72
TYR A 187
GLN A 188
 None
 0.34A 5qgrA-5t3pA:
28.4		 5qgrA-5t3pA:
93.33
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.
5tbf TRANSLATION
ELONGATION FACTOR

(Vibrio cholerae) 		PF11826
(DUF3346) 		3 VAL A 446
TYR A 458
GLN A 459
 None
 0.75A 5qgrA-5tbfA:
undetectable		 5qgrA-5tbfA:
18.73
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.
5udm PHAGE-ASSOCIATED
CELL WALL HYDROLASE

(Streptococcus
pyogenes) 		no annotation 3 VAL B 183
TYR B 204
GLN B 205
 None
 0.56A 5qgrA-5udmB:
undetectable		 5qgrA-5udmB:
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.
5uvn PARAQUAT-INDUCIBLE
PROTEIN B

(Escherichia
coli) 		PF02470
(MlaD) 		3 VAL A 186
TYR A 200
GLN A 201
 None
 0.75A 5qgrA-5uvnA:
undetectable		 5qgrA-5uvnA:
20.05
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 3 VAL A  67
TYR A  43
GLN A  44
 None
 0.72A 5qgrA-5v2dA:
undetectable		 5qgrA-5v2dA:
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.
5w8m VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Chaetomium
thermophilum) 		no annotation 3 VAL A 184
TYR A 172
GLN A 173
 None
 0.56A 5qgrA-5w8mA:
undetectable		 5qgrA-5w8mA:
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.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 3 VAL B 317
TYR B 315
GLN B 356
 None
 0.70A 5qgrA-5waiB:
undetectable		 5qgrA-5waiB:
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.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 3 VAL B 489
TYR B 430
GLN B 431
 None
 0.70A 5qgrA-5waiB:
undetectable		 5qgrA-5waiB:
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.
5wpb HISTONE DEACETYLASE
6

(Homo sapiens) 		PF02148
(zf-UBP) 		3 VAL A1144
TYR A1149
GLN A1150
 None
None
UNX  A1306 ( 4.7A)
 0.69A 5qgrA-5wpbA:
undetectable		 5qgrA-5wpbA:
19.34
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.
5wsy UNCHARACTERIZED
PROTEIN

(Streptomyces
avermitilis) 		PF10862
(FcoT) 		3 VAL A  16
TYR A  75
GLN A  71
 None
 0.74A 5qgrA-5wsyA:
undetectable		 5qgrA-5wsyA:
21.63
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 3 VAL A 405
TYR A 290
GLN A 286
 None
 0.69A 5qgrA-5wzeA:
undetectable		 5qgrA-5wzeA:
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 VAL A 472
TYR A 361
GLN A 357
 None
 0.71A 5qgrA-5x49A:
undetectable		 5qgrA-5x49A:
18.14
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.
5xu1 ABC TRANSPORTER
PERMEAE

(Streptococcus
pneumoniae) 		no annotation 3 VAL M  59
TYR M 269
GLN M 270
 None
 0.69A 5qgrA-5xu1M:
undetectable		 5qgrA-5xu1M:
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.
6dk2 -

(-) 		no annotation 3 VAL A  56
TYR A  50
GLN A  48
 None
 0.72A 5qgrA-6dk2A:
undetectable		 5qgrA-6dk2A:
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 3 VAL A 486
TYR A 477
GLN A 478
 None
 0.76A 5qgrA-6eomA:
undetectable		 5qgrA-6eomA:
undetectable