SIMILAR PATTERNS OF AMINO ACIDS FOR 3AY0_B_ADNB402

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 GLY A  20
ASP A  42
ILE A  43
ASN A  44
ASP A  68
 NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
NAI  A 302 (-3.6A)
 0.54A 3ay0B-1ahiA:
7.4		 3ay0B-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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 GLY A  65
ASP A  84
ILE A  85
ASN A  86
ASP A 113
 None
 0.41A 3ay0B-1dusA:
20.5		 3ay0B-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.
1elv COMPLEMENT C1S
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 556
ASP A 616
ILE A 552
LEU A 567
PHE A 434
 None
 1.30A 3ay0B-1elvA:
undetectable		 3ay0B-1elvA:
21.75
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.
1g3p MINOR COAT PROTEIN

(Escherichia
virus M13) 		PF05357
(Phage_Coat_A) 		5 TYR A 110
GLY A 108
ASP A 107
ILE A 103
PHE A 141
 None
 1.11A 3ay0B-1g3pA:
undetectable		 3ay0B-1g3pA:
19.22
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 GLY A  11
ASP A  33
ASN A  35
ASP A  59
VAL A  60
 NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.6A)
NAD  A2001 (-3.5A)
 0.69A 3ay0B-1gegA:
6.5		 3ay0B-1gegA:
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  15
ASP A  38
ILE A  39
ASP A  61
VAL A  62
 None
NAD  A1300 (-2.8A)
NAD  A1300 (-4.3A)
NAD  A1300 (-3.9A)
NAD  A1300 (-3.5A)
 1.13A 3ay0B-1nffA:
6.9		 3ay0B-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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 PHE A  14
GLY A 446
ASP A 449
ASN A 465
PHE A  33
 None
None
None
SO4  A 903 ( 4.5A)
None
 1.21A 3ay0B-1o99A:
4.6		 3ay0B-1o99A:
22.52
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.
1qmj BETA-GALACTOSIDE-BIN
DING LECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		5 GLY A  35
ASN A  33
VAL A  17
LEU A   9
PHE A 133
 None
 1.29A 3ay0B-1qmjA:
undetectable		 3ay0B-1qmjA:
18.01
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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 TYR A2105
GLY A2131
ILE A2155
LEU A2097
PHE A2167
 None
 1.01A 3ay0B-1t77A:
undetectable		 3ay0B-1t77A:
20.51
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.
1thx THIOREDOXIN

(Nostoc sp. PCC
7120) 		PF00085
(Thioredoxin) 		5 GLY A   3
ILE A  42
ASN A  43
VAL A  25
LEU A  53
 None
 1.28A 3ay0B-1thxA:
undetectable		 3ay0B-1thxA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  40
ASP A  62
ILE A  63
ASN A  64
ASP A  88
 None
CL  A 402 (-3.6A)
CL  A 405 (-4.0A)
None
CL  A 405 ( 4.9A)
 0.73A 3ay0B-1yb1A:
7.3		 3ay0B-1yb1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zem XYLITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  38
ASN A  40
ASP A  64
VAL A  65
 NAD  A2263 (-3.9A)
NAD  A2263 (-2.6A)
None
NAD  A2263 (-3.7A)
NAD  A2263 (-3.6A)
 0.67A 3ay0B-1zemA:
6.6		 3ay0B-1zemA:
21.26
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.
2ag5 DEHYDROGENASE/REDUCT
ASE (SDR FAMILY)
MEMBER 6

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ASP A  37
ILE A  38
ASN A  39
ASP A  58
VAL A  59
 NAD  A2001 (-2.9A)
NAD  A2001 (-3.9A)
None
NAD  A2001 (-3.4A)
NAD  A2001 (-3.8A)
 0.62A 3ay0B-2ag5A:
6.5		 3ay0B-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.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		5 GLY A  24
ASP A  47
ILE A  48
ASP A  72
VAL A  73
 None
 1.03A 3ay0B-2bgkA:
7.0		 3ay0B-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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		5 PHE A 217
GLY A 286
ASN A 266
VAL A 316
PHE A 309
 None
 1.16A 3ay0B-2f6dA:
undetectable		 3ay0B-2f6dA:
21.98
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.
2hx6 RIBONUCLEASE

(Escherichia
virus T4) 		PF10715
(REGB_T4) 		5 GLY A 109
ASP A 108
ILE A 150
VAL A 149
LEU A 113
 None
 1.23A 3ay0B-2hx6A:
undetectable		 3ay0B-2hx6A:
16.81
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.
2ilr FANCONI ANEMIA GROUP
E PROTEIN

(Homo sapiens) 		PF11510
(FA_FANCE) 		5 PHE A 368
GLY A 370
VAL A 398
LEU A 367
PHE A 390
 None
 1.27A 3ay0B-2ilrA:
undetectable		 3ay0B-2ilrA:
22.19
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		6 TYR A  26
GLY A  86
ASP A 110
ILE A 111
ASP A 135
VAL A 136
 SAM  A 400 ( 3.8A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
 1.06A 3ay0B-2qe6A:
7.2		 3ay0B-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.
2w7q OUTER-MEMBRANE
LIPOPROTEIN CARRIER
PROTEIN

(Pseudomonas
aeruginosa) 		PF03548
(LolA) 		5 PHE A  67
GLY A  65
ILE A  80
ASN A  82
LEU A 111
 None
 0.99A 3ay0B-2w7qA:
undetectable		 3ay0B-2w7qA:
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.
2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE

(Homo sapiens) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 TYR A 159
GLY A  20
ASP A 214
ASP A 242
LEU A 165
 None
MG  A 501 ( 4.7A)
MG  A 501 (-2.8A)
None
GOL  A 503 (-4.0A)
 1.25A 3ay0B-2x4dA:
undetectable		 3ay0B-2x4dA:
21.76
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 GLY A  51
ILE A  11
ASN A  12
LEU A  63
PHE A  70
 None
 1.18A 3ay0B-2xioA:
undetectable		 3ay0B-2xioA:
20.75
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
GLY A 106
ASN A 129
ASP A 154
PHE A 178
 SAM  A 250 (-4.7A)
SAM  A 250 (-3.6A)
None
SAM  A 250 (-3.2A)
SAM  A 250 (-4.6A)
 0.49A 3ay0B-3a27A:
26.1		 3ay0B-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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  87
ASP A 108
ILE A 109
ASP A 140
LEU A 159
 MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
MTA  A 315 (-3.9A)
None
 0.89A 3ay0B-3anxA:
2.3		 3ay0B-3anxA:
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 113
ASP A 131
ILE A 132
ASP A 157
LEU A 175
 5GP  A 500 ( 4.5A)
5GP  A 500 (-3.1A)
5GP  A 500 (-4.1A)
5GP  A 500 (-2.7A)
5GP  A 500 ( 4.7A)
 0.78A 3ay0B-3b89A:
12.7		 3ay0B-3b89A:
22.10
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 113
ASP A 131
ILE A 132
ASP A 157
VAL A 158
 5GP  A 500 ( 4.5A)
5GP  A 500 (-3.1A)
5GP  A 500 (-4.1A)
5GP  A 500 (-2.7A)
5GP  A 500 (-3.6A)
 0.72A 3ay0B-3b89A:
12.7		 3ay0B-3b89A:
22.10
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		5 PHE A 775
GLY A 827
ASP A 825
VAL A 849
PHE A 846
 None
 1.30A 3ay0B-3bdlA:
undetectable		 3ay0B-3bdlA:
21.14
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		6 PHE A 351
GLY A 292
ASP A 311
ILE A 312
ASN A 313
ASP A 330
 None
 0.72A 3ay0B-3dliA:
4.6		 3ay0B-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 347
GLY A 349
ASP A  42
ILE A  43
VAL A  46
 None
 1.30A 3ay0B-3dmsA:
undetectable		 3ay0B-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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
ASP A 719
ILE A 720
ASP A 747
 ADP  A   3 (-4.5A)
ADP  A   3 (-3.5A)
ADP  A   3 (-2.9A)
ADP  A   3 (-3.8A)
ADP  A   3 (-3.4A)
 0.34A 3ay0B-3egiA:
6.5		 3ay0B-3egiA:
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 PHE A   7
GLY A   9
ILE A  30
ASP A  51
VAL A  52
 None
 0.76A 3ay0B-3g7uA:
8.5		 3ay0B-3g7uA:
22.86
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
ASP A 719
ILE A 720
ASP A 747
 SAH  A 854 (-4.3A)
SAH  A 854 (-3.3A)
SAH  A 854 (-2.9A)
SAH  A 854 (-3.6A)
SAH  A 854 (-3.6A)
 0.36A 3ay0B-3gdhA:
9.1		 3ay0B-3gdhA:
23.89
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A  10
ASP A  33
ILE A  34
ASP A  55
VAL A  56
 None
None
THJ  A 249 (-4.5A)
None
None
 0.95A 3ay0B-3gedA:
6.5		 3ay0B-3gedA:
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A  11
ASP A  33
ILE A  34
ASP A  55
VAL A  56
 None
None
THJ  A 249 (-4.5A)
None
None
 0.72A 3ay0B-3gedA:
6.5		 3ay0B-3gedA:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  38
ASP A  60
ILE A  61
ASP A  83
VAL A  82
 None
 0.99A 3ay0B-3gvcA:
6.5		 3ay0B-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.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 311
ASP A 309
ILE A 307
VAL A 333
LEU A 343
 None
 1.22A 3ay0B-3gvpA:
6.4		 3ay0B-3gvpA:
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 GLY A 222
ILE A 307
ASP A 337
LEU A 238
PHE A 293
 None
 1.23A 3ay0B-3i6rA:
undetectable		 3ay0B-3i6rA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifq E-CADHERIN
PLAKOGLOBIN

(Homo sapiens;
Mus musculus) 		PF00514
(Arm)
PF01049
(Cadherin_C) 		5 GLY A 640
ILE C 657
ASN C 660
VAL A 648
LEU A 634
 None
 1.16A 3ay0B-3ifqA:
undetectable		 3ay0B-3ifqA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 GLY A  14
ASP A  37
ILE A  38
ASP A  65
VAL A  66
 None
 1.07A 3ay0B-3ioyA:
7.9		 3ay0B-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
GLY W 520
VAL W 552
LEU W 564
 None
 1.00A 3ay0B-3iylW:
10.6		 3ay0B-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
 1.24A 3ay0B-3k1dA:
undetectable		 3ay0B-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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		6 PHE A 141
GLY A  76
ASP A  95
ILE A  96
ASP A 123
VAL A 124
 SAH  A 300 (-4.6A)
SAH  A 300 (-3.5A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.8A)
SAH  A 300 (-4.1A)
 0.79A 3ay0B-3lccA:
14.6		 3ay0B-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 3ay0B-3njpA:
undetectable		 3ay0B-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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  37
ILE A  38
ASP A  75
VAL A  76
 None
NAD  A 284 (-2.8A)
NAD  A 284 (-3.6A)
NAD  A 284 (-3.7A)
NAD  A 284 (-3.5A)
 1.01A 3ay0B-3pxxA:
6.2		 3ay0B-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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A  14
ASP A  36
ILE A  37
ASN A  38
ASP A  62
VAL A  63
 None
 0.87A 3ay0B-3qivA:
7.1		 3ay0B-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
GLY A  14
ASP A  37
ILE A  38
ASN A  39
 SAH  A 323 (-4.4A)
SAH  A 323 (-3.6A)
SAH  A 323 (-2.9A)
SAH  A 323 (-4.0A)
SAH  A 323 (-4.8A)
 0.62A 3ay0B-3qv2A:
7.0		 3ay0B-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.
3rnv HELPER COMPONENT
PROTEINASE

(Turnip mosaic
virus) 		PF00851
(Peptidase_C6) 		5 TYR A 343
GLY A 458
ILE A 348
ASN A 347
LEU A 376
 None
 1.10A 3ay0B-3rnvA:
undetectable		 3ay0B-3rnvA:
22.77
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 GLY A 331
ASP A 355
ILE A 356
ASP A 388
VAL A 389
 SAH  A 900 (-3.2A)
SAH  A 900 (-2.8A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-3.8A)
 0.50A 3ay0B-3s1sA:
5.9		 3ay0B-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.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		5 GLY A  13
ASP A  36
ILE A  37
ASN A  87
ASP A  56
 None
 1.27A 3ay0B-3tl3A:
5.8		 3ay0B-3tl3A:
20.25
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 294
ASP A 291
ASN A  24
ASP A 289
VAL A 288
 None
 1.28A 3ay0B-3u4aA:
undetectable		 3ay0B-3u4aA:
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 TYR A 137
GLY A 135
ASP A  95
ILE A 130
ASN A 131
 None
None
None
GOL  A 405 ( 4.8A)
None
 1.30A 3ay0B-3v4yA:
undetectable		 3ay0B-3v4yA:
21.79
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.
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
 1.22A 3ay0B-3wyaA:
2.0		 3ay0B-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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		5 GLY A  11
ASP A  33
ASN A  35
ASP A  59
VAL A  60
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
 0.73A 3ay0B-3wyeA:
6.6		 3ay0B-3wyeA:
20.46
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.
3zo0 E3 UBIQUITIN-PROTEIN
LIGASE TRIM21

(Mus musculus) 		PF00622
(SPRY)
PF13765
(PRY) 		5 PHE B  99
GLY B  79
VAL B  85
LEU B  93
PHE B  91
 None
 1.30A 3ay0B-3zo0B:
undetectable		 3ay0B-3zo0B:
17.56
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.
4dcc PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ASP A  90
ILE A  18
ASN A  19
LEU A  96
PHE A 127
 None
 1.27A 3ay0B-4dccA:
undetectable		 3ay0B-4dccA:
23.51
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  36
ASP A  58
ASN A  60
ASP A  81
VAL A  82
 None
 0.68A 3ay0B-4dqxA:
7.0		 3ay0B-4dqxA:
20.59
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.
4eoy MICROTUBULE-ASSOCIAT
ED PROTEIN 1 LIGHT
CHAIN 3

(Plasmodium
falciparum) 		PF02991
(Atg8) 		5 PHE A  60
GLY A  58
VAL A  51
LEU A  64
PHE A  49
 None
 1.29A 3ay0B-4eoyA:
undetectable		 3ay0B-4eoyA:
16.51
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.
4eu2 PROTEASOME COMPONENT
C7-ALPHA

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 TYR A 163
GLY A 161
ASP A 158
ILE A 140
VAL A 139
 None
 1.23A 3ay0B-4eu2A:
undetectable		 3ay0B-4eu2A:
23.53
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.
4f1r CATABOLITE
REPRESSION CONTROL
PROTEIN

(Pseudomonas
aeruginosa) 		PF03372
(Exo_endo_phos) 		5 TYR A 145
GLY A 147
ILE A   3
VAL A 251
LEU A 224
 None
 1.19A 3ay0B-4f1rA:
2.2		 3ay0B-4f1rA:
20.49
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.
4ffl PYLC

(Methanosarcina
barkeri) 		PF02655
(ATP-grasp_3) 		5 GLY A   9
ASP A  31
ASN A  33
ASP A  49
VAL A  50
 ATP  A 908 ( 4.6A)
ATP  A 908 (-2.7A)
None
ATP  A 908 (-3.3A)
ATP  A 908 (-3.7A)
 0.86A 3ay0B-4fflA:
3.6		 3ay0B-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.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		6 PHE D  35
GLY D  37
ASP D  54
ILE D  55
ASN D  56
PHE D 201
 0Y0  D 301 (-4.4A)
0Y0  D 301 ( 3.8A)
0Y0  D 301 (-2.8A)
0Y0  D 301 (-3.8A)
None
0Y0  D 301 ( 4.9A)
 1.44A 3ay0B-4gomD:
9.7		 3ay0B-4gomD:
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.
4hjc ENVELOPE
GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF07245
(Phlebovirus_G2) 		5 PHE A 866
GLY A 868
ASP A 867
VAL A1020
LEU A 745
 None
 0.93A 3ay0B-4hjcA:
undetectable		 3ay0B-4hjcA:
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.
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
 1.26A 3ay0B-4izgA:
undetectable		 3ay0B-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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 166
ASP A 173
ILE A 174
VAL A 177
PHE A 216
 None
 0.96A 3ay0B-4izgA:
undetectable		 3ay0B-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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 114
GLY A 117
ASN A  94
VAL A  46
LEU A 109
 None
 1.09A 3ay0B-4j0mA:
undetectable		 3ay0B-4j0mA:
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		5 PHE A 203
GLY A 205
VAL A 182
LEU A 214
PHE A 218
 None
 1.05A 3ay0B-4j5iA:
undetectable		 3ay0B-4j5iA:
21.75
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.
4jcn GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
epidermidis) 		PF13365
(Trypsin_2) 		5 GLY A 124
ILE A  93
ASN A 128
VAL A 118
LEU A 163
 None
 1.21A 3ay0B-4jcnA:
undetectable		 3ay0B-4jcnA:
21.53
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.
4jg3 CATABOLITE
REPRESSION CONTROL
PROTEIN

(Pseudomonas
aeruginosa) 		PF03372
(Exo_endo_phos) 		5 TYR A 148
GLY A 150
ILE A   6
VAL A 254
LEU A 227
 None
 1.16A 3ay0B-4jg3A:
undetectable		 3ay0B-4jg3A:
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLY A 551
ILE A 555
ASN A 554
VAL A 629
LEU A 617
 None
 1.11A 3ay0B-4kxbA:
undetectable		 3ay0B-4kxbA:
15.99
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB) 		5 GLY A  66
ASP A  63
ASP A  39
VAL A  41
LEU B  99
 None
 1.09A 3ay0B-4lfnA:
undetectable		 3ay0B-4lfnA:
19.18
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.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  24
ASP A  47
ILE A  48
ASP A  70
VAL A  71
 None
 1.13A 3ay0B-4npcA:
6.9		 3ay0B-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.
4pn3 3-HYDROXYACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00106
(adh_short) 		5 GLY A  14
ASP A  36
ASN A  38
ASP A  59
VAL A  60
 None
 0.69A 3ay0B-4pn3A:
7.0		 3ay0B-4pn3A:
24.23
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 PHE A  14
GLY A 440
ASP A 443
ASN A 459
PHE A  33
 None
 1.24A 3ay0B-4qaxA:
4.8		 3ay0B-4qaxA:
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.
4u3j PROTEIN STU2

(Saccharomyces
cerevisiae) 		no annotation 5 PHE C 526
GLY C 522
ASN C 482
VAL C 504
PHE C 538
 None
 1.26A 3ay0B-4u3jC:
undetectable		 3ay0B-4u3jC:
22.22
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  17
ASP A  40
ILE A  41
ASP A  61
VAL A  62
 NAD  A 301 ( 4.8A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
 1.02A 3ay0B-4wecA:
6.1		 3ay0B-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 GLY A  13
ASP A  36
ASN A  38
ASP A  57
VAL A  58
 None
NAD  A 300 (-2.7A)
None
NAD  A 300 (-3.5A)
NAD  A 300 (-3.6A)
 1.04A 3ay0B-4xgnA:
6.1		 3ay0B-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 GLY A  13
ASP A  36
ILE A  37
ASP A  64
VAL A  65
 None
NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
 1.05A 3ay0B-4yaiA:
7.5		 3ay0B-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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 GLY A 104
ILE A  68
ASN A  67
VAL A 108
LEU A 148
 None
 1.28A 3ay0B-5by3A:
undetectable		 3ay0B-5by3A:
18.83
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.
5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
PF09336
(Vps4_C) 		5 GLY A 594
ASP A 598
ILE A 601
VAL A 600
LEU A 548
 None
None
CL  A 905 (-4.6A)
None
None
 1.20A 3ay0B-5c1bA:
undetectable		 3ay0B-5c1bA:
19.81
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 PHE A 187
GLY A 189
ASP A 208
ILE A 209
ASP A 235
 SAM  A 400 (-4.7A)
SAM  A 400 (-3.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
 0.48A 3ay0B-5e72A:
16.9		 3ay0B-5e72A:
23.47
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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 PHE A 186
GLY A 189
ILE A 200
ASN A 199
ASP A  90
 None
 0.93A 3ay0B-5gheA:
undetectable		 3ay0B-5gheA:
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  23
ASP A  45
ILE A  46
ASP A  71
VAL A  72
 None
 0.97A 3ay0B-5ha5A:
6.8		 3ay0B-5ha5A:
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.
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
 1.30A 3ay0B-5i3oA:
undetectable		 3ay0B-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.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		5 GLY A 203
ASP A 228
ILE A 133
ASN A 134
PHE A 151
 None
 1.30A 3ay0B-5ifkA:
undetectable		 3ay0B-5ifkA:
21.74
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 GLY A  49
ASP A  69
ILE A  70
ASP A  95
LEU A 113
 SAH  A 301 (-3.6A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.7A)
None
 0.93A 3ay0B-5je3A:
13.8		 3ay0B-5je3A:
22.06
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 GLY A  49
ASP A  69
ILE A  70
ASP A  95
VAL A  96
 SAH  A 301 (-3.6A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.9A)
 0.42A 3ay0B-5je3A:
13.8		 3ay0B-5je3A:
22.06
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  15
ILE A  38
ASN A  39
ASP A  63
VAL A  64
 NAD  A 301 ( 4.2A)
NAD  A 301 (-3.7A)
None
NAD  A 301 (-3.8A)
NAD  A 301 (-3.6A)
 0.90A 3ay0B-5jy1A:
7.0		 3ay0B-5jy1A:
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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 PHE A 186
GLY A 189
ILE A 200
ASN A 199
ASP A  90
 None
 0.83A 3ay0B-5kucA:
undetectable		 3ay0B-5kucA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 6 PHE A 191
GLY A 193
ILE A 214
ASN A 215
ASP A 243
VAL A 244
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
 0.59A 3ay0B-5wt3A:
23.4		 3ay0B-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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 GLY A 237
ILE A 161
ASN A 204
VAL A  68
LEU A 244
 None
 1.11A 3ay0B-5wugA:
undetectable		 3ay0B-5wugA:
12.88
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 GLY A  27
ASP A  48
ILE A  49
ASN A  50
LEU A 103
 SAM  A 800 (-3.5A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
None
SAM  A 800 (-4.4A)
 0.80A 3ay0B-5wy0A:
11.9		 3ay0B-5wy0A:
13.81
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 GLY A  27
ASP A  48
ILE A  49
ASN A  50
VAL A  85
 SAM  A 800 (-3.5A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
None
SAM  A 800 (-3.5A)
 0.65A 3ay0B-5wy0A:
11.9		 3ay0B-5wy0A:
13.81
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 GLY A  15
ASP A  37
ILE A  38
ASN A  39
ASP A  63
 None
 0.51A 3ay0B-5x8hA:
6.9		 3ay0B-5x8hA:
22.97
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.
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
 1.18A 3ay0B-5xccA:
undetectable		 3ay0B-5xccA:
11.96
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.
5xct VH(S112C)-SARAH
CHIMERA
VL-SARAH(S37C)CHIMER
A

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		5 TYR B  32
GLY A  96
ILE B  48
ASN B  53
VAL B  36
 None
 1.28A 3ay0B-5xctB:
undetectable		 3ay0B-5xctB:
19.35
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
GLY A 192
ASP A 211
ASN A 213
ASP A 238
LEU A 253
PHE A 260
 None
 0.67A 3ay0B-5yacA:
29.2		 3ay0B-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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 108
ASP A 129
ILE A 130
ASP A 160
LEU A 179
 CL  A 401 (-4.6A)
TER  A 402 ( 4.4A)
None
None
None
 1.13A 3ay0B-6bq6A:
10.4		 3ay0B-6bq6A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 TYR A 204
GLY A 202
ILE A 197
ASN A 200
ASP A 194
 None
 1.27A 3ay0B-6cwoA:
undetectable		 3ay0B-6cwoA:
12.80
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.
6cwp RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 TYR A 204
GLY A 202
ILE A 197
ASN A 200
ASP A 194
 None
 1.26A 3ay0B-6cwpA:
undetectable		 3ay0B-6cwpA:
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.
6fdf TRNA
(CYTOSINE(38)-C(5))-
METHYLTRANSFERASE

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A  15
ASP A  37
ILE A  38
ASN A  39
ASP A  58
 SAH  A 401 (-3.4A)
SAH  A 401 (-2.7A)
SAH  A 401 ( 4.0A)
None
SAH  A 401 (-3.8A)
 0.40A 3ay0B-6fdfA:
8.3		 3ay0B-6fdfA:
14.03