SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q87_B_SAMB300_0

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.
1djp GLUTAMINASE-ASPARAGI
NASE

(Pseudomonas sp.
7A) 		PF00710
(Asparaginase) 		5 GLY A1093
SER A1148
ASN A1149
ASP A1117
ASN A1011
 None
 1.15A 3q87B-1djpA:
undetectable		 3q87B-1djpA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		9 THR A  44
GLY A  63
ILE A  69
ASP A  84
ASN A  86
ASP A 113
LEU A 114
ASN A 129
PRO A 131
 None
 0.74A 3q87B-1dusA:
17.6		 3q87B-1dusA:
25.24
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 GLY A   9
ILE A  18
ASP A  33
ASN A  35
ASP A  59
 NAD  A2001 (-3.5A)
None
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.6A)
 0.64A 3q87B-1gegA:
6.4		 3q87B-1gegA:
20.96
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		6 THR A 187
GLY A   9
ILE A  14
ASP A  33
ASN A  35
ASP A  59
 NAD  A2001 (-2.7A)
NAD  A2001 (-3.5A)
NAD  A2001 (-3.9A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.6A)
 1.45A 3q87B-1gegA:
6.4		 3q87B-1gegA:
20.96
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.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		5 ILE A 164
ASP A  74
LEU A  63
ASN A  64
ASN A  38
 None
CA  A 192 (-2.3A)
None
None
None
 1.22A 3q87B-1i8aA:
undetectable		 3q87B-1i8aA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 THR A  17
GLY A  41
ASP A  62
ASN A  64
ASP A  90
 SAH  A 801 (-3.7A)
SAH  A 801 (-3.4A)
SAH  A 801 (-2.6A)
None
SAH  A 801 (-3.8A)
 1.02A 3q87B-1l3iA:
14.7		 3q87B-1l3iA:
24.87
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A  99
GLY A   7
ILE A  96
LEU A  31
LEU A  16
 None
 1.22A 3q87B-1mldA:
5.0		 3q87B-1mldA:
19.94
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 THR A  29
GLY A  56
ASP A  78
ASP A 100
ASN A 114
 None
 1.09A 3q87B-1ne2A:
15.0		 3q87B-1ne2A:
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.
1pii N-(5'PHOSPHORIBOSYL)
ANTHRANILATE
ISOMERASE

(Escherichia
coli) 		PF00218
(IGPS)
PF00697
(PRAI) 		5 TYR A 452
GLY A 232
SER A 227
ILE A 217
LEU A  43
 None
 1.22A 3q87B-1piiA:
undetectable		 3q87B-1piiA:
18.44
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 THR A 457
GLY A 250
ILE A 395
ASN A 258
ASP A 200
 None
 1.21A 3q87B-1qb4A:
undetectable		 3q87B-1qb4A:
11.90
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLY A  45
LEU A  67
ASP A  91
ASN A 113
PRO A 115
 None
 0.72A 3q87B-1qyrA:
13.2		 3q87B-1qyrA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		6 THR A 106
GLY A 129
ILE A 135
ASP A 151
ASN A 197
PRO A 199
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.9A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.90A 3q87B-1sg9A:
18.2		 3q87B-1sg9A:
22.89
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 143
GLY A  51
ILE A 140
LEU A  75
LEU A  60
 None
 1.16A 3q87B-1smkA:
7.2		 3q87B-1smkA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 THR A 362
GLY A 319
ILE A 359
ASP A 313
LEU A 302
 None
None
None
BOG  A 400 (-4.7A)
None
 1.09A 3q87B-1u7gA:
undetectable		 3q87B-1u7gA:
19.49
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLY A 375
ILE A 127
ASP A 374
LEU A 373
LEU A  56
 None
 1.07A 3q87B-1w6jA:
undetectable		 3q87B-1w6jA:
13.52
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.
1yco BRANCHED-CHAIN
PHOSPHOTRANSACYLASE

(Enterococcus
faecalis) 		PF01515
(PTA_PTB) 		5 THR A 253
GLY A   8
ASP A  35
ASN A  37
ASP A  53
 None
 1.22A 3q87B-1ycoA:
2.2		 3q87B-1ycoA:
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.
1ydf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 THR A 146
GLY A 161
ILE A 166
LEU A 158
ASN A 147
 None
 1.03A 3q87B-1ydfA:
undetectable		 3q87B-1ydfA:
22.39
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.
1ydf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 THR A 146
GLY A 161
ILE A 166
LEU A 159
ASN A 147
 None
 1.11A 3q87B-1ydfA:
undetectable		 3q87B-1ydfA:
22.39
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.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  64
LEU A  86
ASP A 113
ASN A 128
PRO A 130
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.7A)
SAM  A4000 (-3.8A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
 0.69A 3q87B-1zq9A:
12.8		 3q87B-1zq9A:
21.99
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.
2ag5 DEHYDROGENASE/REDUCT
ASE (SDR FAMILY)
MEMBER 6

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A 182
ILE A  18
ASP A  37
ASN A  39
ASP A  58
 NAD  A2001 (-2.9A)
NAD  A2001 (-3.5A)
NAD  A2001 (-2.9A)
None
NAD  A2001 (-3.4A)
 1.17A 3q87B-2ag5A:
7.3		 3q87B-2ag5A:
24.90
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		7 THR A  95
GLY A 117
ILE A 123
ASP A 140
ASP A 167
ASN A 183
PRO A 185
 SAH  A 300 ( 4.3A)
SAH  A 300 (-3.4A)
None
SAH  A 300 (-3.1A)
SAH  A 300 (-3.0A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
 0.90A 3q87B-2b3tA:
18.8		 3q87B-2b3tA:
19.78
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.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A   9
ILE A  18
ASP A  33
LEU A  34
ASP A  60
 NAD  A1251 (-3.5A)
None
NAD  A1251 (-2.7A)
NAD  A1251 (-4.2A)
NAD  A1251 (-3.4A)
 0.67A 3q87B-2cfcA:
6.8		 3q87B-2cfcA:
21.57
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 THR A 145
ILE A 125
ASN A 102
ASP A  53
LEU A  56
 None
 0.93A 3q87B-2cfzA:
undetectable		 3q87B-2cfzA:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLY A  13
ILE A  22
ASP A  37
LEU A  38
ASP A  57
 NAD  A1001 (-3.5A)
None
NAD  A1001 (-2.8A)
NAD  A1001 (-4.2A)
NAD  A1001 (-4.3A)
 0.48A 3q87B-2d1yA:
7.0		 3q87B-2d1yA:
21.96
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.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 THR A 184
GLY A  13
ILE A  18
ASP A  37
LEU A  38
ASP A  57
 NAD  A1001 (-2.8A)
NAD  A1001 (-3.5A)
NAD  A1001 (-4.0A)
NAD  A1001 (-2.8A)
NAD  A1001 (-4.2A)
NAD  A1001 (-4.3A)
 1.49A 3q87B-2d1yA:
7.0		 3q87B-2d1yA:
21.96
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.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A   7
ILE A 280
LEU A  67
ASN A  66
LEU A 134
 None
 1.18A 3q87B-2ebdA:
undetectable		 3q87B-2ebdA:
24.37
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  23
ASP A  38
LEU A  39
ASP A  62
 NAD  A 257 (-3.3A)
None
NAD  A 257 (-2.8A)
NAD  A 257 (-4.1A)
NAD  A 257 (-3.5A)
 0.72A 3q87B-2ewmA:
6.8		 3q87B-2ewmA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 GLY A   7
ILE A  16
ASP A  31
ASP A  51
LEU A  52
 NAD  A1118 (-3.4A)
None
NAD  A1118 (-2.7A)
NAD  A1118 (-3.0A)
NAD  A1118 (-4.0A)
 1.11A 3q87B-2p5uA:
5.6		 3q87B-2p5uA:
19.57
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY C   9
ILE C  18
ASP C  33
LEU C  34
ASP C  61
 NAD  C4300 (-3.6A)
None
NAD  C4300 (-3.0A)
NAD  C4300 ( 4.4A)
NAD  C4300 (-3.7A)
 0.70A 3q87B-3a28C:
6.4		 3q87B-3a28C:
19.38
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 TYR A 726
GLY A 730
SER A 727
ILE A 850
LEU A 654
 None
 1.20A 3q87B-3a6pA:
undetectable		 3q87B-3a6pA:
10.16
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 GLY A   7
ILE A  15
ASP A  29
ASN A  31
ASP A  48
PRO A  70
 NAD  A1001 ( 3.8A)
None
NAD  A1001 (-2.9A)
None
NAD  A1001 (-3.4A)
NAD  A1001 (-3.8A)
 0.78A 3q87B-3abiA:
7.6		 3q87B-3abiA:
19.68
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A   7
ILE A  15
ASP A  29
ASN A  31
LEU A  73
 NAD  A1001 ( 3.8A)
None
NAD  A1001 (-2.9A)
None
NAD  A1001 (-4.7A)
 1.17A 3q87B-3abiA:
7.6		 3q87B-3abiA:
19.68
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A   7
ILE A  15
ASP A  29
ASN A  34
PRO A  70
 NAD  A1001 ( 3.8A)
None
NAD  A1001 (-2.9A)
NAD  A1001 (-4.0A)
NAD  A1001 (-3.8A)
 1.22A 3q87B-3abiA:
7.6		 3q87B-3abiA:
19.68
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.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 GLY A  16
ILE A  25
ASP A  40
LEU A  41
ASP A  63
 NAD  A 901 (-3.6A)
None
NAD  A 901 (-2.8A)
NAD  A 901 (-3.9A)
NAD  A 901 (-3.8A)
 0.39A 3q87B-3ak4A:
6.6		 3q87B-3ak4A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 THR A 941
SER A 881
ILE A 924
LEU A 857
LEU A 907
 None
 1.12A 3q87B-3ak5A:
undetectable		 3q87B-3ak5A:
10.27
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 TYR A 177
ASP A 223
ASN A 225
ASP A 251
ASN A 265
 ADN  A 401 (-4.3A)
ADN  A 401 (-2.6A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.8A)
ADN  A 401 (-4.9A)
 0.76A 3q87B-3ay0A:
14.6		 3q87B-3ay0A:
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  53
ILE A  59
ASP A  74
LEU A  75
ASP A  96
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
NHE  A 195 (-4.3A)
 0.98A 3q87B-3cggA:
13.6		 3q87B-3cggA:
26.83
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.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 SER A 312
ILE A 249
ASN A 359
LEU A 390
ASN A 273
 None
 1.16A 3q87B-3cv2A:
undetectable		 3q87B-3cv2A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f84 CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 GLY A 120
ASP A  57
LEU A  59
ASN A  60
ASN A 190
 None
 1.21A 3q87B-3f84A:
undetectable		 3q87B-3f84A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 THR A 163
GLY A 184
ASP A 206
LEU A 234
ASN A 248
 None
GOL  A 322 ( 3.7A)
GOL  A 322 (-3.5A)
GOL  A 322 (-4.4A)
None
 0.73A 3q87B-3grzA:
16.7		 3q87B-3grzA:
26.70
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.
3gt0 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Bacillus cereus) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 GLY A   9
ILE A  18
ASP A  36
LEU A  37
ASN A  38
 None
 1.20A 3q87B-3gt0A:
3.4		 3q87B-3gt0A:
22.00
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 GLY A 293
SER A 289
ILE A  82
ASN A 288
LEU A 298
 None
MG  A   1 (-2.2A)
None
None
None
 1.18A 3q87B-3gybA:
undetectable		 3q87B-3gybA:
22.38
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.
3keq REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Streptococcus
agalactiae) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		5 GLY A  91
ASP A 117
LEU A 118
ASN A 121
PRO A 157
 NAD  A 213 (-3.6A)
NAD  A 213 (-2.8A)
NAD  A 213 (-4.4A)
NAD  A 213 ( 4.7A)
NAD  A 213 (-4.0A)
 1.15A 3q87B-3keqA:
5.1		 3q87B-3keqA:
20.30
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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 THR A  91
GLY A 114
ILE A  88
ASN A  28
LEU A 132
 None
 1.16A 3q87B-3kqfA:
undetectable		 3q87B-3kqfA:
22.56
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ILE A 206
ASP A 261
ASP A 289
ASN A 305
PRO A 307
 None
GTP  A 383 (-3.0A)
GTP  A 383 ( 3.8A)
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
 0.88A 3q87B-3lduA:
10.5		 3q87B-3lduA:
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 THR A 171
GLY A 397
ILE A 216
ASN A 170
PRO A 117
 None
 1.07A 3q87B-3lk6A:
undetectable		 3q87B-3lk6A:
17.32
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 LEU A 256
ASN A 257
ASP A 284
LEU A 286
ASN A 304
PRO A 306
 None
 1.22A 3q87B-3lkdA:
9.3		 3q87B-3lkdA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 THR A 201
LEU A 256
ASP A 284
LEU A 286
ASN A 304
PRO A 306
 None
 1.31A 3q87B-3lkdA:
9.3		 3q87B-3lkdA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		5 GLY A 691
ILE A 694
ASP A 657
LEU A 689
ASN A 656
 None
 1.21A 3q87B-3ml3A:
undetectable		 3q87B-3ml3A:
17.44
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  17
ILE A  21
ASP A  43
ASN A  45
LEU A  64
 NAI  A 500 (-3.6A)
NAI  A 500 (-3.6A)
NAI  A 500 (-2.7A)
None
None
 1.05A 3q87B-3q2kA:
5.6		 3q87B-3q2kA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		12 TYR B   4
THR B  10
GLY B  31
SER B  33
ILE B  37
ASP B  51
LEU B  52
ASN B  53
ASP B  69
LEU B  70
ASN B  85
PRO B  87
 SAM  B 300 (-3.5A)
SAM  B 300 (-3.2A)
SAM  B 300 (-3.5A)
SAM  B 300 (-3.9A)
None
SAM  B 300 (-2.9A)
SAM  B 300 (-3.9A)
SAM  B 300 (-4.9A)
SAM  B 300 (-3.7A)
SAM  B 300 (-4.4A)
SAM  B 300 (-3.9A)
SAM  B 300 (-4.1A)
 0.02A 3q87B-3q87B:
36.7		 3q87B-3q87B:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q8x ANTIDOTE OF
EPSILON-ZETA
POSTSEGREGATIONAL
KILLING SYSTEM
ZETA-TOXIN

(Streptococcus
pyogenes;
Streptococcus
pyogenes) 		PF08998
(Epsilon_antitox)
PF06414
(Zeta_toxin) 		5 TYR A   5
THR B 242
ILE B 239
ASN B 205
LEU B 230
 None
 1.20A 3q87B-3q8xA:
undetectable		 3q87B-3q8xA:
22.42
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  12
ILE A  17
ASP A  36
ASN A  38
ASP A  62
 None
 1.07A 3q87B-3qivA:
7.2		 3q87B-3qivA:
21.62
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.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  19
ASP A  38
ASN A  40
ASP A  61
 NAD  A 251 (-3.4A)
NAD  A 251 (-3.9A)
NAD  A 251 (-2.7A)
None
NAD  A 251 (-3.8A)
 1.14A 3q87B-3rwbA:
6.9		 3q87B-3rwbA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  23
ASP A  38
ASN A  40
ASP A  61
 NAD  A 251 (-3.4A)
None
NAD  A 251 (-2.7A)
None
NAD  A 251 (-3.8A)
 0.67A 3q87B-3rwbA:
6.9		 3q87B-3rwbA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slg PBGP3 PROTEIN

(Burkholderia
pseudomallei) 		PF01370
(Epimerase) 		5 GLY A  10
ILE A  15
ASP A  35
ASP A  56
PRO A 191
 None
 1.09A 3q87B-3slgA:
5.2		 3q87B-3slgA:
20.27
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ILE A 198
ASP A 216
LEU A 217
ASP A 243
ASN A 260
PRO A 262
 None
 0.84A 3q87B-3tmaA:
15.0		 3q87B-3tmaA:
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.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 TYR A 132
GLY A 100
ILE A  29
LEU A 128
ASN A 127
 None
 1.13A 3q87B-3vpxA:
7.1		 3q87B-3vpxA:
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.
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]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		5 GLY A   9
ILE A  18
ASP A  33
ASN A  35
ASP A  59
 NAD  A 301 (-3.3A)
None
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.7A)
 0.67A 3q87B-3wyeA:
6.4		 3q87B-3wyeA:
18.38
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.
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]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		6 THR A 187
GLY A   9
ILE A  14
ASP A  33
ASN A  35
ASP A  59
 NAD  A 301 (-2.7A)
NAD  A 301 (-3.3A)
NAD  A 301 (-3.8A)
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.7A)
 1.44A 3q87B-3wyeA:
6.4		 3q87B-3wyeA:
18.38
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 GLY A 236
ILE A 242
ASP A 259
ASN A 305
PRO A 307
 SAM  A 401 (-3.5A)
SAM  A 401 (-4.7A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.0A)
 0.34A 3q87B-4dcmA:
12.3		 3q87B-4dcmA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 SER A 212
ILE A 265
LEU A 218
ASN A 214
LEU A 274
 None
 1.22A 3q87B-4ddwA:
2.3		 3q87B-4ddwA:
11.01
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 ILE A 121
ASP A 283
ASP A 134
LEU A  52
PRO A 140
 None
 1.20A 3q87B-4dz4A:
undetectable		 3q87B-4dz4A:
20.43
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC

(Alicyclobacillus
acidocaldarius) 		PF05175
(MTS) 		5 THR A 112
GLY A 136
ILE A 142
ASN A 206
PRO A 208
 None
None
None
CA  A 401 (-3.2A)
None
 0.92A 3q87B-4dzrA:
12.0		 3q87B-4dzrA:
26.85
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.
4dzr PROTEIN-(GLUTAMINE-N
5)
METHYLTRANSFERASE,
RELEASE
FACTOR-SPECIFIC

(Alicyclobacillus
acidocaldarius) 		PF05175
(MTS) 		5 THR A 112
GLY A 136
SER A 139
ASN A 206
PRO A 208
 None
None
None
CA  A 401 (-3.2A)
None
 0.91A 3q87B-4dzrA:
12.0		 3q87B-4dzrA:
26.85
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A   7
ASP A  30
LEU A  31
ASN A  32
PRO A  68
 None
 0.83A 3q87B-4e21A:
5.6		 3q87B-4e21A:
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.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 THR A 299
SER A 289
ASP A 265
ASN A 290
LEU A 418
 None
 1.22A 3q87B-4eqvA:
undetectable		 3q87B-4eqvA:
16.41
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 GLY A  15
SER A  18
ILE A  24
LEU A  40
ASP A  65
 NAD  A 501 (-3.2A)
NAD  A 501 (-2.7A)
None
NAD  A 501 (-3.8A)
NAD  A 501 (-3.6A)
 0.97A 3q87B-4fn4A:
7.2		 3q87B-4fn4A:
19.08
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
ILE A  69
ASP A 111
ASN A 141
PRO A 143
 ACT  A 402 (-3.4A)
None
None
None
ACT  A 402 ( 4.9A)
 0.80A 3q87B-4gc5A:
12.2		 3q87B-4gc5A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 GLY A 352
LEU A 365
ASN A 366
LEU A  70
PRO A  85
 None
 1.10A 3q87B-4im4A:
undetectable		 3q87B-4im4A:
22.57
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  23
ASP A  38
LEU A  39
ASP A  64
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
 0.49A 3q87B-4ituA:
6.6		 3q87B-4ituA:
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 THR A  58
GLY A 328
ASP A 326
LEU A 325
LEU A 312
 None
PLM  A 601 ( 4.0A)
None
None
None
 1.16A 3q87B-4n03A:
2.8		 3q87B-4n03A:
19.85
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  26
ILE A  35
ASP A  50
LEU A  51
ASP A  77
 None
 0.61A 3q87B-4nbrA:
6.1		 3q87B-4nbrA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		6 THR A 207
GLY A  26
ILE A  31
ASP A  50
LEU A  51
ASP A  77
 None
 1.43A 3q87B-4nbrA:
6.1		 3q87B-4nbrA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		6 THR A 205
GLY A  19
ILE A  24
ASP A  43
LEU A  44
ASP A  69
 NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.2A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
 1.44A 3q87B-4nbwA:
2.0		 3q87B-4nbwA:
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  13
ASP A  37
LEU A  38
ASN A  39
ASP A  63
 None
 0.84A 3q87B-4trrA:
2.8		 3q87B-4trrA:
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  13
ILE A  18
ASP A  37
LEU A  38
ASP A  63
 None
SO4  A 301 (-3.8A)
None
None
None
 1.17A 3q87B-4trrA:
2.8		 3q87B-4trrA:
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  13
ILE A  22
ASP A  37
LEU A  38
ASP A  63
 None
 0.56A 3q87B-4trrA:
2.8		 3q87B-4trrA:
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		5 GLY A  98
ILE A  95
LEU A 100
ASP A 125
LEU A 217
 None
 1.19A 3q87B-4uhhA:
undetectable		 3q87B-4uhhA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  14
ILE A  23
ASP A  38
LEU A  39
ASP A  64
 None
 0.70A 3q87B-4weoA:
7.0		 3q87B-4weoA:
19.26
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A  12
ASP A  36
LEU A  37
ASN A  38
ASP A  57
 NAD  A 300 (-3.5A)
NAD  A 300 (-2.7A)
NAD  A 300 (-4.2A)
None
NAD  A 300 (-3.5A)
 0.56A 3q87B-4xgnA:
6.5		 3q87B-4xgnA:
20.97
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A  12
SER A  15
LEU A  37
ASN A  38
ASP A  57
 NAD  A 300 (-3.5A)
NAD  A 300 (-2.5A)
NAD  A 300 (-4.2A)
None
NAD  A 300 (-3.5A)
 1.13A 3q87B-4xgnA:
6.5		 3q87B-4xgnA:
20.97
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 GLY A  60
SER A  86
ILE A  94
ASP A  87
ASN A  83
 None
 1.17A 3q87B-4yfaA:
undetectable		 3q87B-4yfaA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 THR A 197
ILE A 199
LEU A 169
ASN A 172
ASN A 198
 None
 1.09A 3q87B-5a22A:
9.3		 3q87B-5a22A:
6.18
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 THR A 114
GLY A 242
ILE A 139
ASP A 189
PRO A  20
 None
 1.21A 3q87B-5bp7A:
11.1		 3q87B-5bp7A:
21.83
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 GLY A 662
ASP A 640
ASP A 666
LEU A 665
PRO A 452
 None
 1.23A 3q87B-5c2vA:
undetectable		 3q87B-5c2vA:
11.57
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 GLY A  60
SER A  86
ILE A  94
ASP A  87
ASN A  83
 None
 1.15A 3q87B-5c9iA:
undetectable		 3q87B-5c9iA:
12.26
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 GLY A  26
ILE A  31
ASP A  50
ASN A  52
ASP A  76
 NAI  A 301 (-3.3A)
NAI  A 301 (-4.2A)
NAI  A 301 (-2.9A)
None
NAI  A 301 (-4.0A)
 1.14A 3q87B-5h5xA:
6.6		 3q87B-5h5xA:
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 THR A 205
ILE A  31
ASP A  50
ASN A  52
ASP A  76
 NAI  A 301 (-3.4A)
NAI  A 301 (-4.2A)
NAI  A 301 (-2.9A)
None
NAI  A 301 (-4.0A)
 1.13A 3q87B-5h5xA:
6.6		 3q87B-5h5xA:
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.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A   8
ASP A  31
LEU A  32
ASN A  33
PRO A  66
 NAD  A 401 ( 3.7A)
NAD  A 401 (-2.7A)
NAD  A 401 (-4.0A)
None
NAD  A 401 (-3.9A)
 0.57A 3q87B-5je8A:
6.1		 3q87B-5je8A:
19.94
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.
5ke1 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin)
PF12951
(PATR) 		5 GLY A 691
ILE A 694
ASP A 657
LEU A 689
ASN A 656
 None
 1.19A 3q87B-5ke1A:
undetectable		 3q87B-5ke1A:
19.48
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.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 GLY A 368
SER A 349
LEU A 448
ASN A 365
ASN A 347
 None
 1.22A 3q87B-5lj6A:
undetectable		 3q87B-5lj6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
ASP A  33
LEU A  34
ASN A  35
ASP A  61
 None
 0.70A 3q87B-5o3zA:
7.3		 3q87B-5o3zA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  23
ASP A  38
LEU A  39
ASP A  63
 NAD  A 300 ( 3.8A)
None
NAD  A 300 (-2.7A)
NAD  A 300 (-4.0A)
NAD  A 300 (-3.5A)
 0.38A 3q87B-5t5qA:
6.9		 3q87B-5t5qA:
20.56
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 6 GLY A 131
ASP A 152
ASN A 154
ASP A 179
ASN A 194
PRO A 196
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.1A)
None
SAH  A 414 (-2.9A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
 0.52A 3q87B-5u4tA:
13.2		 3q87B-5u4tA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 5 GLY A   6
ILE A  11
ASP A  32
LEU A  33
ASP A  47
 NAD  A 402 (-3.6A)
NAD  A 402 (-3.9A)
NAD  A 402 (-2.8A)
NAD  A 402 (-4.3A)
NAD  A 402 (-3.0A)
 1.18A 3q87B-5y1gA:
4.0		 3q87B-5y1gA:
18.81
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.
6emk TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Saccharomyces
cerevisiae) 		no annotation 5 THR B 179
GLY B 138
ASP B 137
LEU B 154
ASN B 178
 None
 0.93A 3q87B-6emkB:
undetectable		 3q87B-6emkB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gui -

(-) 		no annotation 5 TYR A 149
GLY A 151
SER A 148
ILE A 175
LEU A 144
 None
 1.14A 3q87B-6guiA:
2.3		 3q87B-6guiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gun -

(-) 		no annotation 5 TYR A 156
GLY A 158
SER A 155
ILE A 182
LEU A 151
 None
 1.05A 3q87B-6gunA:
undetectable		 3q87B-6gunA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6guo -

(-) 		no annotation 5 TYR A 165
GLY A 167
SER A 164
ILE A 191
LEU A 160
 None
 1.08A 3q87B-6guoA:
undetectable		 3q87B-6guoA:
undetectable