SIMILAR PATTERNS OF AMINO ACIDS FOR 3AY0_A_ADNA401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ASP A  42
ILE A  43
ASN A  44
ALA A  47
ASP A  68
 NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
NAI  A 302 ( 4.9A)
NAI  A 302 (-3.6A)
 0.59A 3ay0A-1ahiA:
6.9		 3ay0A-1ahiA:
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.
1b35 PROTEIN (CRICKET
PARALYSIS VIRUS,
VP2)

(Cricket
paralysis virus) 		no annotation 5 TYR B 196
PHE B 102
ILE B 187
ALA B 124
VAL B 128
 None
 1.21A 3ay0A-1b35B:
undetectable		 3ay0A-1b35B:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 ASP A  84
ILE A  85
ALA A  89
ASP A 113
LEU A  62
 None
 1.20A 3ay0A-1dusA:
20.5		 3ay0A-1dusA:
22.54
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 ASP A  84
ILE A  85
ASN A  86
ALA A  89
ASP A 113
 None
 0.37A 3ay0A-1dusA:
20.5		 3ay0A-1dusA:
22.54
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 ASP B 125
ILE A 127
ASN B 126
ALA B 123
LEU B  28
 None
None
AMP  A 400 (-2.5A)
AMP  A 400 (-3.5A)
None
 1.40A 3ay0A-1efpB:
2.3		 3ay0A-1efpB:
23.30
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ASP A  38
ILE A  39
ALA A  16
ASP A  61
VAL A  62
 NAD  A1300 (-2.8A)
NAD  A1300 (-4.3A)
NAD  A1300 ( 4.3A)
NAD  A1300 (-3.9A)
NAD  A1300 (-3.5A)
 0.97A 3ay0A-1nffA:
6.9		 3ay0A-1nffA:
19.76
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 PHE A 169
ILE A 172
ASN A 171
ALA A  64
PHE A 161
 None
 1.41A 3ay0A-1nrwA:
undetectable		 3ay0A-1nrwA:
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1

(Elephantulus
edwardii) 		PF00171
(Aldedh) 		5 ILE A 220
ASN A 219
ALA A  62
LEU A 164
PHE A 166
 None
 1.03A 3ay0A-1o9jA:
4.5		 3ay0A-1o9jA:
22.68
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.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		5 PHE A 343
ASP A  32
ASN A  33
ASP A 248
VAL A 319
 None
 1.35A 3ay0A-1sdeA:
undetectable		 3ay0A-1sdeA:
17.89
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.
1u0o VON WILLEBRAND
FACTOR

(Mus musculus) 		PF00092
(VWA) 		5 TYR C 693
ALA C 698
VAL C 553
LEU C 619
PHE C 517
 None
 1.40A 3ay0A-1u0oC:
undetectable		 3ay0A-1u0oC:
22.35
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.
1uls PUTATIVE
3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ASP A  36
ILE A  37
ALA A  14
ASP A  57
VAL A  58
 None
 0.90A 3ay0A-1ulsA:
6.2		 3ay0A-1ulsA:
20.78
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		5 TYR A 286
ASN A 288
ALA A 336
LEU A 313
PHE A 317
 None
 1.15A 3ay0A-1xknA:
2.7		 3ay0A-1xknA:
20.98
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.
2ag5 DEHYDROGENASE/REDUCT
ASE (SDR FAMILY)
MEMBER 6

(Homo sapiens) 		PF13561
(adh_short_C2) 		6 ASP A  37
ILE A  38
ASN A  39
ALA A  15
ASP A  58
VAL A  59
 NAD  A2001 (-2.9A)
NAD  A2001 (-3.9A)
None
NAD  A2001 ( 3.7A)
NAD  A2001 (-3.4A)
NAD  A2001 (-3.8A)
 0.96A 3ay0A-2ag5A:
6.2		 3ay0A-2ag5A:
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		5 ILE A   7
ASN A  93
ALA A  94
VAL A  37
LEU A  46
 None
NAP  A 800 (-3.4A)
NAP  A 800 (-3.6A)
None
None
 1.38A 3ay0A-2bd0A:
6.1		 3ay0A-2bd0A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		5 ASP A  47
ILE A  48
ALA A  25
ASP A  72
VAL A  73
 None
 1.02A 3ay0A-2bgkA:
6.9		 3ay0A-2bgkA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dul N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF02005
(TRM) 		5 ASP A  78
ILE A  79
ALA A  83
ASP A 120
PHE A 146
 None
 0.46A 3ay0A-2dulA:
20.2		 3ay0A-2dulA:
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.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		5 PHE A  52
ILE A  76
ALA A  67
ASP A  80
VAL A  81
 None
 1.27A 3ay0A-2ekcA:
undetectable		 3ay0A-2ekcA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 ASP A  36
ASN A  38
ALA A  14
ASP A  64
VAL A  65
 NAD  A 300 (-2.8A)
None
NAD  A 300 ( 3.9A)
NAD  A 300 (-3.8A)
NAD  A 300 (-3.5A)
 1.02A 3ay0A-2gdzA:
7.2		 3ay0A-2gdzA:
21.85
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 ASP A 162
ALA A 335
VAL A 164
LEU A 144
PHE A 182
 None
 1.29A 3ay0A-2ivdA:
undetectable		 3ay0A-2ivdA:
19.58
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.
2npn PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN

(Corynebacterium
diphtheriae) 		PF00590
(TP_methylase) 		5 TYR A  61
ILE A   4
ALA A  30
VAL A   6
LEU A  34
 None
 1.38A 3ay0A-2npnA:
undetectable		 3ay0A-2npnA:
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.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 ILE A   7
ASN A  85
ALA A  86
VAL A  30
LEU A  39
 None
 1.31A 3ay0A-2nwqA:
6.4		 3ay0A-2nwqA:
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.
2owa ARFGAP-LIKE FINGER
DOMAIN CONTAINING
PROTEIN

(Cryptosporidium
parvum) 		PF01412
(ArfGap) 		5 PHE A  57
ALA A 100
VAL A  30
LEU A  50
PHE A  27
 None
 1.33A 3ay0A-2owaA:
undetectable		 3ay0A-2owaA:
16.62
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 TYR A  26
ASP A 110
ILE A 111
ASP A 135
VAL A 136
 SAM  A 400 ( 3.8A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
 0.95A 3ay0A-2qe6A:
3.5		 3ay0A-2qe6A:
20.23
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.
2vhf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE CYLD

(Homo sapiens) 		PF00443
(UCH) 		5 TYR A 878
PHE A 875
ALA A 612
ASP A 889
VAL A 873
 None
 1.35A 3ay0A-2vhfA:
undetectable		 3ay0A-2vhfA:
22.31
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ILE A 481
ASN A 484
ALA A 491
ASP A 478
LEU A 186
 None
 1.41A 3ay0A-2xf2A:
undetectable		 3ay0A-2xf2A:
19.12
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.
2xmz HYDROLASE,
ALPHA/BETA HYDROLASE
FOLD FAMILY

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		5 TYR A  88
PHE A  19
ILE A 110
ALA A  95
PHE A  37
 None
 1.27A 3ay0A-2xmzA:
2.1		 3ay0A-2xmzA:
21.92
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.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 PHE A 202
ILE A 186
ALA A 220
VAL A 160
LEU A 196
 None
 1.06A 3ay0A-2zb3A:
8.5		 3ay0A-2zb3A:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 PHE A 104
ASN A 129
ALA A 132
ASP A 154
PHE A 178
 SAM  A 250 (-4.7A)
None
SAM  A 250 ( 4.3A)
SAM  A 250 (-3.2A)
SAM  A 250 (-4.6A)
 0.55A 3ay0A-3a27A:
26.2		 3ay0A-3a27A:
31.53
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 ASP A 337
ALA A 418
VAL A 565
LEU A 344
PHE A 345
 None
 1.34A 3ay0A-3ctzA:
undetectable		 3ay0A-3ctzA:
19.74
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 PHE A 351
ASP A 311
ILE A 312
ASN A 313
ASP A 330
 None
 0.76A 3ay0A-3dliA:
4.5		 3ay0A-3dliA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		5 TYR A 352
ASP A  42
ILE A  43
ALA A 348
VAL A  46
 None
 1.33A 3ay0A-3dmsA:
undetectable		 3ay0A-3dmsA:
23.90
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 PHE A 295
ASP A  97
ALA A 286
VAL A  73
PHE A  65
 None
 1.39A 3ay0A-3f11A:
undetectable		 3ay0A-3f11A:
23.58
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.
3f70 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE 2
PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 PHE A 179
ALA A 607
ASP A 571
VAL A 555
PHE A 184
 None
 1.21A 3ay0A-3f70A:
undetectable		 3ay0A-3f70A:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ASP A  60
ILE A  61
ALA A  65
ASP A  83
VAL A  82
 None
 1.12A 3ay0A-3gvcA:
6.3		 3ay0A-3gvcA:
23.03
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 ASP A  37
ILE A  38
ALA A  15
ASP A  65
VAL A  66
 None
 1.07A 3ay0A-3ioyA:
7.8		 3ay0A-3ioyA:
23.73
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 TYR W 556
PHE W 554
ALA W 521
VAL W 552
LEU W 564
 None
 1.10A 3ay0A-3iylW:
11.7		 3ay0A-3iylW:
12.92
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PHE A 149
ASP A 213
VAL A 229
LEU A 161
PHE A 191
 None
 1.25A 3ay0A-3k1dA:
undetectable		 3ay0A-3k1dA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		5 PHE A  50
ASP A  51
ILE A  53
VAL A  56
PHE A  65
 None
 1.36A 3ay0A-3l2kA:
3.2		 3ay0A-3l2kA:
23.34
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		6 PHE A 141
ASP A  95
ILE A  96
ALA A 100
ASP A 123
VAL A 124
 SAH  A 300 (-4.6A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
SAH  A 300 ( 4.4A)
SAH  A 300 (-3.8A)
SAH  A 300 (-4.1A)
 0.84A 3ay0A-3lccA:
undetectable		 3ay0A-3lccA:
22.64
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.
3njp EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 TYR A 447
ILE A 466
ASN A 449
VAL A 437
LEU A 424
 None
 1.29A 3ay0A-3njpA:
undetectable		 3ay0A-3njpA:
19.43
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.
3nro LMO1026 PROTEIN

(Listeria
monocytogenes) 		PF03816
(LytR_cpsA_psr) 		5 PHE A 163
ASN A 251
ASP A 168
VAL A 167
LEU A 201
 None
 1.36A 3ay0A-3nroA:
undetectable		 3ay0A-3nroA:
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  42
ILE A  43
ALA A  20
ASP A  81
VAL A  82
 NAD  A 277 (-2.8A)
NAD  A 277 (-3.7A)
NAD  A 277 ( 3.9A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
 0.81A 3ay0A-3pgxA:
undetectable		 3ay0A-3pgxA:
20.06
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  42
ILE A  43
ALA A  56
ASP A  81
VAL A  82
 NAD  A 277 (-2.8A)
NAD  A 277 (-3.7A)
NAD  A 277 (-3.3A)
NAD  A 277 (-3.5A)
NAD  A 277 (-3.6A)
 1.37A 3ay0A-3pgxA:
undetectable		 3ay0A-3pgxA:
20.06
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  37
ILE A  38
ALA A  15
ASP A  75
VAL A  76
 NAD  A 284 (-2.8A)
NAD  A 284 (-3.6A)
NAD  A 284 ( 4.2A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
 0.95A 3ay0A-3pxxA:
6.3		 3ay0A-3pxxA:
19.14
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  37
ILE A  38
ALA A  50
ASP A  75
VAL A  76
 NAD  A 284 (-2.8A)
NAD  A 284 (-3.6A)
NAD  A 284 (-3.4A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
 1.32A 3ay0A-3pxxA:
6.3		 3ay0A-3pxxA:
19.14
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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 TYR B   4
ASP B  51
ASN B  53
ALA B  56
ASP B  69
 SAM  B 300 (-3.5A)
SAM  B 300 (-2.9A)
SAM  B 300 (-4.9A)
None
SAM  B 300 (-3.7A)
 0.68A 3ay0A-3q87B:
14.6		 3ay0A-3q87B:
19.58
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  36
ILE A  37
ALA A  41
ASP A  62
VAL A  61
 None
 1.24A 3ay0A-3qivA:
7.3		 3ay0A-3qivA:
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  36
ILE A  37
ASN A  38
ALA A  41
ASP A  62
 None
 0.92A 3ay0A-3qivA:
7.3		 3ay0A-3qivA:
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  36
ILE A  37
ASN A  38
ASP A  62
VAL A  63
 None
 0.76A 3ay0A-3qivA:
7.3		 3ay0A-3qivA:
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		5 PHE A  12
ASP A  37
ILE A  38
ASN A  39
ALA A  42
 SAH  A 323 (-4.4A)
SAH  A 323 (-2.9A)
SAH  A 323 (-4.0A)
SAH  A 323 (-4.8A)
SAH  A 323 ( 4.8A)
 0.67A 3ay0A-3qv2A:
7.0		 3ay0A-3qv2A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 ASP A  38
ILE A  39
ASN A  40
ALA A  16
ASP A  61
 NAD  A 251 (-2.7A)
NAD  A 251 (-3.8A)
None
NAD  A 251 ( 3.7A)
NAD  A 251 (-3.8A)
 0.89A 3ay0A-3rwbA:
6.8		 3ay0A-3rwbA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 PHE A 447
ILE A 356
ASP A 388
VAL A 389
PHE A 422
 None
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 ( 4.9A)
 1.39A 3ay0A-3s1sA:
6.0		 3ay0A-3s1sA:
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.
3tnd TRNA(FMET)-SPECIFIC
ENDONUCLEASE VAPC

(Shigella
flexneri) 		PF01850
(PIN) 		5 ASP A   7
ILE A  10
ASN A   9
LEU A  43
PHE A  63
 None
None
NA  B  82 ( 4.4A)
None
None
 1.37A 3ay0A-3tndA:
undetectable		 3ay0A-3tndA:
16.52
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.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  38
ILE A  39
ALA A  52
ASP A  77
VAL A  76
 NAD  A 274 (-2.9A)
NAD  A 274 (-3.8A)
NAD  A 274 (-3.5A)
NAD  A 274 (-3.4A)
None
 1.41A 3ay0A-3tscA:
undetectable		 3ay0A-3tscA:
20.64
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.
3ttk POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 PHE A 292
ASP A  78
ALA A 283
VAL A  55
PHE A  47
 None
 1.39A 3ay0A-3ttkA:
undetectable		 3ay0A-3ttkA:
21.07
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  38
ILE A  39
ALA A  16
ASP A  80
VAL A  81
 NAD  A 300 (-2.8A)
NAD  A 300 (-3.8A)
NAD  A 300 ( 3.8A)
NAD  A 300 (-3.4A)
NAD  A 300 (-3.6A)
 0.79A 3ay0A-3uveA:
6.4		 3ay0A-3uveA:
20.95
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 TYR A 197
ILE A 205
ALA A 212
LEU A 231
PHE A 265
 None
 1.12A 3ay0A-3wfaA:
2.2		 3ay0A-3wfaA:
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 ASP A 158
ILE A 139
VAL A 141
LEU A  14
PHE A  19
 None
 1.40A 3ay0A-3wfoA:
undetectable		 3ay0A-3wfoA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wya ELONGATION FACTOR
1-ALPHA

(Pyrococcus
horikoshii) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PHE A 323
ILE A 422
VAL A 421
LEU A 387
PHE A 407
 None
 1.19A 3ay0A-3wyaA:
2.0		 3ay0A-3wyaA:
23.87
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.
3zrh UBIQUITIN
THIOESTERASE ZRANB1

(Homo sapiens) 		PF02338
(OTU) 		5 PHE A 586
ILE A 537
ALA A 451
VAL A 539
LEU A 444
 None
 1.08A 3ay0A-3zrhA:
undetectable		 3ay0A-3zrhA:
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.
4b18 IMPORTIN SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 PHE A 131
ILE A 154
ALA A 170
VAL A 150
PHE A 106
 None
 1.32A 3ay0A-4b18A:
undetectable		 3ay0A-4b18A:
22.75
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.
4bmv SHORT-CHAIN
DEHYDROGENASE

(Sphingobium
yanoikuyae) 		PF00106
(adh_short) 		5 ILE A   9
ASN A  88
ALA A  89
VAL A  32
LEU A  41
 None
NAP  A 300 (-3.4A)
NAP  A 300 ( 3.9A)
None
None
 1.29A 3ay0A-4bmvA:
6.6		 3ay0A-4bmvA:
21.61
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 TYR D 171
PHE D 291
ALA D 282
VAL D 271
LEU D 481
 None
 1.20A 3ay0A-4em6D:
undetectable		 3ay0A-4em6D:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdu PUTATIVE MULTIPLE
INOSITOL
POLYPHOSPHATE
HISTIDINE
PHOSPHATASE 1

(Bacteroides
thetaiotaomicron) 		PF00328
(His_Phos_2) 		5 PHE A 330
ALA A 324
VAL A 365
LEU A 297
PHE A 301
 None
IHS  A 501 (-3.4A)
None
None
None
 1.06A 3ay0A-4fduA:
undetectable		 3ay0A-4fduA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffl PYLC

(Methanosarcina
barkeri) 		PF02655
(ATP-grasp_3) 		5 ASP A  31
ASN A  33
ALA A  36
ASP A  49
VAL A  50
 ATP  A 908 (-2.7A)
None
ATP  A 908 ( 4.8A)
ATP  A 908 (-3.3A)
ATP  A 908 (-3.7A)
 0.83A 3ay0A-4fflA:
3.7		 3ay0A-4fflA:
22.75
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.
4g81 PUTATIVE HEXONATE
DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 ASP D  41
ILE D  42
ALA D  19
ASP D  67
VAL D  68
 None
 1.08A 3ay0A-4g81D:
7.0		 3ay0A-4g81D:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4het HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 ASN A 223
ALA A 231
VAL A 205
LEU A 167
PHE A 201
 None
 1.37A 3ay0A-4hetA:
undetectable		 3ay0A-4hetA:
22.31
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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 173
ILE A 174
VAL A 177
LEU A 218
PHE A 216
 None
 1.28A 3ay0A-4izgA:
undetectable		 3ay0A-4izgA:
21.59
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.
4k28 SHIKIMATE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
putida) 		PF00899
(ThiF)
PF08501
(Shikimate_dh_N) 		5 PHE A 188
ILE A 131
ALA A 222
LEU A 185
PHE A 182
 None
MN  A 302 (-4.6A)
None
None
MN  A 302 (-4.7A)
 1.09A 3ay0A-4k28A:
6.5		 3ay0A-4k28A:
21.01
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A  60
ILE A  63
ASN A  62
ALA A  65
VAL A  95
 None
 1.25A 3ay0A-4mv3A:
2.4		 3ay0A-4mv3A:
23.23
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.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		5 ASP A  44
ASN A  46
ALA A  22
ASP A  66
VAL A  67
 NAI  A 301 (-2.9A)
None
NAI  A 301 ( 4.2A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.7A)
 0.92A 3ay0A-4nbuA:
6.7		 3ay0A-4nbuA:
22.61
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.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 ASP A  47
ILE A  48
ALA A  25
ASP A  70
VAL A  71
 None
 1.18A 3ay0A-4npcA:
2.3		 3ay0A-4npcA:
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.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		5 ASP A 416
ALA A 415
VAL A 406
LEU A 291
PHE A 292
 None
 1.22A 3ay0A-4oerA:
undetectable		 3ay0A-4oerA:
21.72
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.
4qhb UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 TYR A 250
ILE A  63
ALA A 120
VAL A  62
PHE A  39
 None
 1.39A 3ay0A-4qhbA:
undetectable		 3ay0A-4qhbA:
23.63
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.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  51
ILE A  52
ALA A  29
ASP A  89
VAL A  90
 NAD  A 301 (-2.7A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.6A)
 0.98A 3ay0A-4rgbA:
6.1		 3ay0A-4rgbA:
21.10
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 TYR A 332
PHE A 281
ILE A 291
ALA A 255
VAL A 290
 None
 1.39A 3ay0A-4upiA:
undetectable		 3ay0A-4upiA:
19.86
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ASP A  40
ILE A  41
ALA A  18
ASP A  61
VAL A  60
 NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.9A)
NAD  A 301 (-4.7A)
 1.38A 3ay0A-4wecA:
6.3		 3ay0A-4wecA:
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ASP A  40
ILE A  41
ALA A  18
ASP A  61
VAL A  62
 NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
 1.04A 3ay0A-4wecA:
6.3		 3ay0A-4wecA:
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 ASP A  36
ASN A  38
ALA A  14
ASP A  57
VAL A  58
 NAD  A 300 (-2.7A)
None
NAD  A 300 ( 4.0A)
NAD  A 300 (-3.5A)
NAD  A 300 (-3.6A)
 0.90A 3ay0A-4xgnA:
5.8		 3ay0A-4xgnA:
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 ASP A  36
ILE A  37
ALA A  14
ASP A  64
VAL A  65
 NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
 1.15A 3ay0A-4yaiA:
7.4		 3ay0A-4yaiA:
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.
5bty LPG1496

(Legionella
pneumophila) 		no annotation 5 ILE A 213
ALA A 161
VAL A 211
LEU A 250
PHE A 183
 None
 1.11A 3ay0A-5btyA:
undetectable		 3ay0A-5btyA:
15.48
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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ASP A  46
ILE A  47
ALA A  24
ASP A  84
VAL A  85
 NAD  A 300 (-2.7A)
NAD  A 300 (-3.8A)
NAD  A 300 ( 3.8A)
NAD  A 300 (-3.3A)
NAD  A 300 (-3.6A)
 0.81A 3ay0A-5ej2A:
6.4		 3ay0A-5ej2A:
19.77
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 ASP A  50
ASN A  52
ALA A  28
ASP A  76
VAL A  77
 NAI  A 301 (-2.9A)
None
NAI  A 301 ( 3.8A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.7A)
 1.04A 3ay0A-5h5xA:
6.7		 3ay0A-5h5xA:
20.23
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.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 286
PHE A 159
ASN A 289
VAL A 311
LEU A 256
 None
 1.31A 3ay0A-5i3oA:
undetectable		 3ay0A-5i3oA:
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 ILE A 120
ALA A 239
VAL A 142
LEU A 155
PHE A 188
 None
 1.35A 3ay0A-5j1dA:
undetectable		 3ay0A-5j1dA:
21.70
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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 5 TYR L  48
PHE L 147
ILE L 149
VAL L  93
PHE L 128
 None
 1.31A 3ay0A-5npxL:
undetectable		 3ay0A-5npxL:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nrm DOCCEL5: TYPE I
DOCKERIN REPEAT
DOMAIN FROM A.
CELLULOLYTICUS
FAMILY 5
ENDOGLUCANASE
WP_010249057 S51I,
L52N MUTANT
ENDOGLUCANASE

(Acetivibrio
cellulolyticus) 		no annotation 5 PHE A  38
ASP A  37
ASN B  15
VAL A  77
PHE A  95
 None
None
CA  B 101 ( 4.4A)
None
None
 1.41A 3ay0A-5nrmA:
2.1		 3ay0A-5nrmA:
13.94
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.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 TYR A 282
PHE A 347
ILE A 294
ASN A 352
ALA A 351
 None
 1.38A 3ay0A-5nthA:
undetectable		 3ay0A-5nthA:
19.16
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.
5o64 REACTION CENTER
PROTEIN H CHAIN

(Blastochloris
viridis) 		PF03967
(PRCH)
PF05239
(PRC) 		5 TYR H 179
ILE H 145
ASP H 151
VAL H 150
LEU H 198
 None
 1.29A 3ay0A-5o64H:
undetectable		 3ay0A-5o64H:
22.35
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.
5tuv TRANSCRIPTION FACTOR
DP1

(Homo sapiens) 		PF08781
(DP) 		5 PHE A 261
ASP A 295
ILE A 297
VAL A 299
LEU A 259
 None
 1.35A 3ay0A-5tuvA:
undetectable		 3ay0A-5tuvA:
17.79
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		PF16679
(CDT1_C) 		5 TYR 8  48
ASP 8  19
ASN 8  21
LEU 8  45
PHE 8  43
 None
 1.33A 3ay0A-5udb8:
undetectable		 3ay0A-5udb8:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 6 PHE A 191
ILE A 214
ASN A 215
ALA A 218
ASP A 243
VAL A 244
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.7A)
None
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
 0.65A 3ay0A-5wt3A:
25.6		 3ay0A-5wt3A:
16.01
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.
5xcc PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 5 TYR A  55
PHE A  78
ASN A  72
LEU A 107
PHE A 103
 None
 1.15A 3ay0A-5xccA:
undetectable		 3ay0A-5xccA:
11.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5yac TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5B

(Pyrococcus
abyssi) 		PF02475
(Met_10) 		8 TYR A 164
PHE A 190
ASP A 211
ASN A 213
ALA A 216
ASP A 238
LEU A 253
PHE A 260
 None
 0.62A 3ay0A-5yacA:
29.3		 3ay0A-5yacA:
42.58
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.
5yal ESTERASE

(Streptomyces
cinnamoneus) 		no annotation 5 PHE A 271
ASN A 310
ALA A 306
VAL A 263
LEU A 213
 None
 1.38A 3ay0A-5yalA:
2.5		 3ay0A-5yalA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6q EXOSOME COMPLEX
COMPONENT RRP40

(Homo sapiens) 		no annotation 5 PHE G 129
ASP G 161
VAL G 157
LEU G 141
PHE G 146
 None
 1.25A 3ay0A-6d6qG:
undetectable		 3ay0A-6d6qG:
10.33
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 PHE A1496
ASN A1492
VAL A1471
LEU A1448
PHE A1467
 None
 1.40A 3ay0A-6ez8A:
undetectable		 3ay0A-6ez8A:
8.39
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.
6fdf TRNA
(CYTOSINE(38)-C(5))-
METHYLTRANSFERASE

(Schizosaccharomyces
pombe) 		no annotation 5 ASP A  37
ILE A  38
ASN A  39
ALA A  42
ASP A  58
 SAH  A 401 (-2.7A)
SAH  A 401 ( 4.0A)
None
SAH  A 401 ( 4.5A)
SAH  A 401 (-3.8A)
 0.45A 3ay0A-6fdfA:
8.1		 3ay0A-6fdfA:
14.03
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.
6g47 FIBER-1

(Human
mastadenovirus
G) 		no annotation 5 TYR A 336
PHE A 329
ALA A 332
VAL A 327
PHE A 357
 None
 1.25A 3ay0A-6g47A:
undetectable		 3ay0A-6g47A:
10.09