SIMILAR PATTERNS OF AMINO ACIDS FOR 6B3B_A_SAMA701

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) 		6 GLY A  18
GLY A  20
ASN A  44
ALA A  47
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
None
NAI  A 302 ( 4.9A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.92A 6b3bA-1ahiA:
7.4		 6b3bA-1ahiA:
15.86
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 MET A 279
GLY A 301
GLY A 304
ALA A 331
ILE A 258
 None
 1.00A 6b3bA-1clwA:
undetectable		 6b3bA-1clwA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 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  63
GLY A  65
ASN A  86
ALA A  89
ASP A 113
 None
 0.81A 6b3bA-1dusA:
9.9		 6b3bA-1dusA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 HIS P 229
GLY P 303
ALA P 404
LEU P  68
PRO P  89
 None
None
None
DDZ  P  69 ( 3.7A)
None
 1.15A 6b3bA-1e33P:
2.1		 6b3bA-1e33P:
20.48
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   9
GLY A  12
ALA A  38
ASP A  66
ILE A  67
 NAI  A 400 (-3.3A)
NAI  A 400 (-3.3A)
NAI  A 400 (-3.4A)
NAI  A 400 (-3.1A)
NAI  A 400 (-3.8A)
 0.87A 6b3bA-1ek6A:
5.9		 6b3bA-1ek6A:
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.
1f9a HYPOTHETICAL PROTEIN
MJ0541

(Methanocaldococcus
jannaschii) 		PF01467
(CTP_transf_like) 		5 GLY A  33
GLY A  35
ALA A  37
ILE A  31
PRO A  90
 None
 1.06A 6b3bA-1f9aA:
2.7		 6b3bA-1f9aA:
14.94
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 GLY A  41
GLY A  43
ASN A  64
ALA A  67
ASP A  90
 SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.6A)
SAH  A 801 (-3.8A)
 0.61A 6b3bA-1l3iA:
8.7		 6b3bA-1l3iA:
15.32
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		5 GLY A 102
GLY A 119
ALA A 120
ILE A 104
LEU A  73
 None
 1.14A 6b3bA-1lkdA:
undetectable		 6b3bA-1lkdA:
19.53
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.
1mg5 ALCOHOL
DEHYDROGENASE

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 GLY A  92
TYR A  63
ALA A  93
ILE A  10
LEU A  89
 NAI  A 850 (-4.6A)
None
NAI  A 850 (-3.5A)
None
None
 1.15A 6b3bA-1mg5A:
6.0		 6b3bA-1mg5A:
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 GLY A 322
GLY A 325
ALA A 265
ILE A 276
LEU A 367
 None
 1.17A 6b3bA-1ocmA:
undetectable		 6b3bA-1ocmA:
22.90
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 PHE A1352
ASN A1275
ALA A1308
ASP A1331
PRO A 351
 None
 1.17A 6b3bA-1ofeA:
3.2		 6b3bA-1ofeA:
18.24
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 PHE A 121
GLY A  51
GLY A 263
ALA A 266
ILE A  68
 None
 1.15A 6b3bA-1rp0A:
undetectable		 6b3bA-1rp0A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 PHE A 152
GLY A 208
ALA A 213
ASP A 335
LEU A 444
 None
 1.12A 6b3bA-1ukcA:
undetectable		 6b3bA-1ukcA:
22.53
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 GLY A 201
GLY A 158
ALA A 189
ASP A 324
ILE A 327
 None
 1.07A 6b3bA-1umfA:
undetectable		 6b3bA-1umfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 GLY A 157
GLY A 159
ASN A  12
ILE A 155
LEU A 181
 None
 0.93A 6b3bA-1zmbA:
2.9		 6b3bA-1zmbA:
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.
2aeg HYPOTHETICAL PROTEIN
AGR_PAT_140

(Agrobacterium
fabrum) 		PF02586
(SRAP) 		5 HIS A 116
GLY A 180
GLY A 157
ALA A 156
LEU A  58
 None
 1.19A 6b3bA-2aegA:
undetectable		 6b3bA-2aegA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 430
GLY A  59
ALA A  63
ILE A  45
PRO A  43
 None
 1.00A 6b3bA-2ag1A:
2.9		 6b3bA-2ag1A:
22.85
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.
2apj PUTATIVE ESTERASE

(Arabidopsis
thaliana) 		PF03629
(SASA) 		5 TYR A 255
ALA A 101
ILE A 196
LEU A 156
PRO A 194
 None
 1.16A 6b3bA-2apjA:
3.0		 6b3bA-2apjA:
18.24
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 GLY A 257
GLY A 318
ASN A 313
ALA A 316
LEU A 259
 None
 1.06A 6b3bA-2cdqA:
undetectable		 6b3bA-2cdqA:
22.92
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.
2ce9 TRANSDUCIN-LIKE
ENHANCER PROTEIN 1

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 548
GLY A 549
ALA A 551
ILE A 546
LEU A 580
 None
 1.06A 6b3bA-2ce9A:
undetectable		 6b3bA-2ce9A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 GLY A 433
GLY A  24
ALA A  26
ILE A 444
LEU A 358
 None
 1.16A 6b3bA-2eyqA:
2.2		 6b3bA-2eyqA:
20.68
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.
2faq PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 650
GLY A 594
GLY A 646
ILE A 598
PRO A 560
 None
 1.13A 6b3bA-2faqA:
undetectable		 6b3bA-2faqA:
18.36
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.
2gk4 CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF04127
(DFP) 		5 HIS A 197
GLY A  29
GLY A  26
ALA A  51
ILE A  86
 GOL  A 501 (-4.7A)
None
None
None
None
 1.12A 6b3bA-2gk4A:
3.1		 6b3bA-2gk4A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzs IROE PROTEIN

(Escherichia
coli) 		PF00756
(Esterase) 		5 GLY A 187
ALA A 211
ASP A 301
ILE A 302
LEU A  86
 None
 1.15A 6b3bA-2gzsA:
undetectable		 6b3bA-2gzsA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE

(Trypanosoma
brucei) 		PF00365
(PFK) 		5 MET A 272
GLY A 273
GLY A 326
ASP A 229
ILE A 228
 None
 1.12A 6b3bA-2higA:
undetectable		 6b3bA-2higA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		5 HIS A 146
GLY A  90
GLY A  88
ILE A  55
LEU A 121
 None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.1A)
None
SAH  A 301 ( 4.1A)
 0.89A 6b3bA-2pbfA:
6.6		 6b3bA-2pbfA:
17.80
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 HIS A  76
PHE A  70
GLY A  10
GLY A  13
ALA A 109
 None
None
FAD  A 400 (-3.4A)
None
None
 1.08A 6b3bA-2q0lA:
2.2		 6b3bA-2q0lA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		5 PHE A  80
GLY A  99
GLY A 101
ILE A 126
LEU A  97
 None
 1.12A 6b3bA-2r3bA:
3.1		 6b3bA-2r3bA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 259
GLY A 429
ALA A 399
ILE A 261
LEU A 258
 None
 1.09A 6b3bA-2r9hA:
undetectable		 6b3bA-2r9hA:
22.78
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		5 GLY A 292
GLY A  61
ASP A 105
ILE A 129
LEU A 291
 None
None
GAL  A 368 (-2.9A)
None
None
 1.09A 6b3bA-2rjoA:
2.6		 6b3bA-2rjoA:
19.87
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 HIS G1977
GLY G1806
GLY G1810
ALA G1813
ILE G2011
 None
 1.14A 6b3bA-2uv8G:
undetectable		 6b3bA-2uv8G:
16.55
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		5 GLY A 295
GLY A  35
ALA A 257
ILE A 438
LEU A 358
 None
 1.09A 6b3bA-2v40A:
2.0		 6b3bA-2v40A:
23.61
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 HIS B 152
GLY B 147
ALA B 158
ILE B 190
PRO A 334
 SRM  B 503 (-4.5A)
None
None
None
None
 1.11A 6b3bA-2v4jB:
undetectable		 6b3bA-2v4jB:
20.92
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.
2vhd CYTOCHROME C551
PEROXIDASE

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLY A  34
ALA A 155
ILE A 109
LEU A  43
PRO A 119
 None
 1.18A 6b3bA-2vhdA:
undetectable		 6b3bA-2vhdA:
20.48
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A   7
GLY A   9
ASN A  31
ASP A  48
LEU A  69
 NAD  A1001 ( 3.8A)
NAD  A1001 (-3.7A)
None
NAD  A1001 (-3.4A)
NAD  A1001 (-4.8A)
 1.11A 6b3bA-3abiA:
4.0		 6b3bA-3abiA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A  56
TYR A  29
ALA A  55
ILE A  46
LEU A  65
 None
 1.13A 6b3bA-3bazA:
2.4		 6b3bA-3bazA:
21.36
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.
3bgk PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF01256
(Carb_kinase) 		5 MET A  97
GLY A  98
GLY A 100
ALA A 102
ILE A 126
 None
 1.13A 6b3bA-3bgkA:
3.6		 6b3bA-3bgkA:
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		5 HIS A 203
GLY A 226
ALA A 225
ILE A 253
LEU A   8
 None
 1.12A 6b3bA-3bleA:
undetectable		 6b3bA-3bleA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLY A  71
GLY A 463
ALA A 466
ILE A  89
LEU A  70
 None
 1.14A 6b3bA-3cghA:
undetectable		 6b3bA-3cghA:
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.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		5 GLY A 187
GLY A 185
ALA A 181
ILE A 194
LEU A 197
 None
 1.12A 6b3bA-3dddA:
10.7		 6b3bA-3dddA:
19.88
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 PHE A 148
GLY A  77
GLY A 313
ALA A 316
ILE A  95
 None
 1.11A 6b3bA-3fpzA:
undetectable		 6b3bA-3fpzA:
18.59
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.
3gff IROE-LIKE SERINE
HYDROLASE

(Shewanella
oneidensis) 		PF00756
(Esterase) 		5 PHE A 116
GLY A  79
GLY A  50
TYR A  11
ILE A  29
 None
 0.99A 6b3bA-3gffA:
undetectable		 6b3bA-3gffA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 HIS A 460
GLY A 285
GLY A 326
ALA A 327
ASP A 255
 None
 1.18A 6b3bA-3gg4A:
undetectable		 6b3bA-3gg4A:
21.22
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 HIS A 460
GLY A 285
GLY A 326
ALA A 327
ILE A 283
 None
 1.19A 6b3bA-3gg4A:
undetectable		 6b3bA-3gg4A:
21.22
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.
3gk3 ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 GLY A 150
TYR A 154
ASN A 143
ALA A 148
ASP A 113
 None
PO4  A 249 (-4.6A)
PO4  A 249 ( 4.2A)
None
None
 1.15A 6b3bA-3gk3A:
5.3		 6b3bA-3gk3A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjh TRANSCRIPTION-REPAIR
-COUPLING FACTOR

(Escherichia
coli) 		no annotation 5 GLY A 433
GLY A  24
ALA A  26
ILE A 444
LEU A 358
 None
 1.09A 6b3bA-3hjhA:
undetectable		 6b3bA-3hjhA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyj MAJOR CAPSID PROTEIN
L1

(Deltapapillomavirus
4) 		no annotation 5 MET F 196
ASN F 333
ASP F 219
ILE F 220
PRO F 217
 None
 1.19A 6b3bA-3iyjF:
undetectable		 6b3bA-3iyjF:
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 PHE A 162
GLY A  91
GLY A 323
ALA A 326
ILE A 109
 None
 1.10A 6b3bA-3jskA:
2.3		 6b3bA-3jskA:
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.
3ksu 3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Oenococcus oeni) 		PF13561
(adh_short_C2) 		5 GLY A  22
GLY A  16
ASN A  95
ALA A  15
PRO A 189
 None
 1.16A 6b3bA-3ksuA:
7.2		 6b3bA-3ksuA:
16.85
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 512
ALA A 235
ILE A 531
LEU A 356
PRO A 529
 None
 1.05A 6b3bA-3opyA:
undetectable		 6b3bA-3opyA:
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.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		5 GLY A 344
GLY A 346
ASN A 336
ALA A 347
ASP A 341
 None
 1.10A 6b3bA-3pz9A:
2.7		 6b3bA-3pz9A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 GLY A 215
GLY A 206
ASP A 242
ILE A 246
LEU A 218
 None
SAH  A 601 (-3.2A)
None
None
None
 0.96A 6b3bA-3ssmA:
8.0		 6b3bA-3ssmA:
22.78
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.
3tg9 PENICILLIN-BINDING
PROTEIN

(Bacillus
halodurans) 		PF00144
(Beta-lactamase) 		5 GLY A 159
ALA A  62
ASP A 225
ILE A 156
LEU A 128
 None
 0.96A 6b3bA-3tg9A:
undetectable		 6b3bA-3tg9A:
20.15
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.
3ttk POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 GLY A 137
GLY A 240
ALA A 238
ILE A 265
PRO A 330
 None
 1.06A 6b3bA-3ttkA:
undetectable		 6b3bA-3ttkA:
18.93
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		6 GLY A 414
GLY A 416
ASN A 452
ALA A 455
ASP A 477
LEU A 500
 None
 0.89A 6b3bA-3ua4A:
10.4		 6b3bA-3ua4A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 PHE A 181
GLY A 188
GLY A 199
TYR A 173
ILE A 175
 None
 1.16A 6b3bA-3wiqA:
undetectable		 6b3bA-3wiqA:
22.62
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		5 PHE A  30
GLY A 104
ALA A 108
ILE A 124
LEU A 136
 ACT  A1331 (-3.8A)
None
None
None
None
 1.13A 6b3bA-4axnA:
undetectable		 6b3bA-4axnA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 263
ASN A 244
ILE A  69
LEU A  58
PRO A  67
 PLP  A1350 (-3.8A)
PLP  A1350 ( 4.6A)
CL  A1421 ( 4.3A)
None
None
 1.02A 6b3bA-4bf5A:
2.1		 6b3bA-4bf5A:
20.86
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.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 PHE A 193
ALA A  37
ILE A 503
LEU A 293
PRO A 505
 None
 1.17A 6b3bA-4btpA:
undetectable		 6b3bA-4btpA:
23.35
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  34
GLY A  36
ASN A  60
ALA A  63
ASP A  81
 None
 0.90A 6b3bA-4dqxA:
4.4		 6b3bA-4dqxA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 343
ASN A 317
ALA A 344
ILE A 314
LEU A 338
 None
IOD  A 403 (-4.4A)
None
None
None
 1.15A 6b3bA-4e1lA:
undetectable		 6b3bA-4e1lA:
20.48
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 GLY A  74
GLY A  72
ILE A  76
LEU A 117
PRO A 147
 None
 1.18A 6b3bA-4eb0A:
undetectable		 6b3bA-4eb0A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		5 GLY A 383
ALA A 484
ASP A 523
ILE A 480
LEU A 399
 None
 1.04A 6b3bA-4ecnA:
undetectable		 6b3bA-4ecnA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 PHE A 430
GLY A 237
GLY A 171
TYR A 231
ILE A 226
 None
 0.98A 6b3bA-4ewjA:
undetectable		 6b3bA-4ewjA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g56 HSL7 PROTEIN

(Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 361
GLY A 363
ASN A 390
ALA A 393
ASP A 415
 SAH  A 701 (-3.3A)
SAH  A 701 ( 4.1A)
None
None
SAH  A 701 (-2.8A)
 0.66A 6b3bA-4g56A:
8.4		 6b3bA-4g56A:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 365
GLY A 367
ASN A 394
ALA A 397
ASP A 419
 0XU  A 701 (-2.9A)
0XU  A 701 ( 3.7A)
None
None
0XU  A 701 (-2.9A)
 0.73A 6b3bA-4gqbA:
8.4		 6b3bA-4gqbA:
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.
4h59 IRON-COMPOUND ABC
TRANSPORTER, IRON
COMPOUND-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		5 HIS A  66
ASN A 117
ALA A 120
ASP A 140
ILE A 136
 None
GOL  A 402 (-3.4A)
GOL  A 402 ( 3.9A)
None
None
 1.10A 6b3bA-4h59A:
undetectable		 6b3bA-4h59A:
19.47
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.
4igb LPXTG CELL WALL
SURFACE PROTEIN

(Streptococcus
gordonii) 		no annotation 5 GLY D 282
ASN D 276
ASP D 221
ILE D 222
LEU D 254
 None
None
SO4  D 502 ( 2.8A)
None
None
 1.16A 6b3bA-4igbD:
undetectable		 6b3bA-4igbD:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 PHE A 279
GLY A 200
GLY A 196
ALA A 195
ASP A 135
 None
 1.12A 6b3bA-4kkmA:
undetectable		 6b3bA-4kkmA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 PHE A 114
GLY A 141
GLY A 151
ALA A 150
LEU A  36
 None
 1.13A 6b3bA-4l6uA:
undetectable		 6b3bA-4l6uA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 GLY A 170
GLY A 168
ALA A 194
ILE A 211
LEU A 173
 None
SAH  A 401 (-3.5A)
SAH  A 401 ( 3.8A)
None
None
 0.98A 6b3bA-4m73A:
16.6		 6b3bA-4m73A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
GLY A  49
ALA A  73
ASP A  94
LEU A 113
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.8A)
SAH  A 401 ( 3.6A)
SAH  A 401 (-4.1A)
 0.74A 6b3bA-4necA:
3.2		 6b3bA-4necA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		5 GLY A  73
GLY A 454
ALA A 457
ILE A  91
LEU A  72
 None
 1.18A 6b3bA-4pucA:
undetectable		 6b3bA-4pucA:
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.
4qa8 PUTATIVE LIPOPROTEIN
LPRF

(Mycobacterium
bovis) 		PF07161
(LppX_LprAFG) 		5 GLY A 251
ALA A 252
ILE A 155
LEU A 156
PRO A 152
 None
None
PJZ  A 301 (-4.4A)
None
PJZ  A 301 (-4.8A)
 1.15A 6b3bA-4qa8A:
undetectable		 6b3bA-4qa8A:
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.
4qp0 ENDO-BETA-MANNANASE

(Rhizomucor
miehei) 		PF00150
(Cellulase) 		5 HIS A 256
GLY A 253
ALA A 319
ASP A 251
ILE A 250
 None
 1.13A 6b3bA-4qp0A:
undetectable		 6b3bA-4qp0A:
18.87
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.
4ro5 SAT DOMAIN FROM CAZM

(Chaetomium
globosum) 		PF16073
(SAT) 		5 GLY A 153
GLY A 157
ALA A 156
LEU A  18
PRO A 369
 None
None
GOL  A 401 (-3.5A)
None
None
 1.15A 6b3bA-4ro5A:
undetectable		 6b3bA-4ro5A:
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		5 GLY A 516
TYR A 510
ASN A 513
ILE A 382
LEU A 539
 None
ADP  A 601 (-3.8A)
None
None
None
 1.19A 6b3bA-4wbdA:
undetectable		 6b3bA-4wbdA:
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.
4yvd PLEIOTROPIC
REGULATOR 1

(Homo sapiens) 		PF00400
(WD40) 		5 HIS A 287
GLY A 251
GLY A 265
ILE A 253
LEU A 294
 None
NA  A 601 ( 4.4A)
None
None
None
 1.14A 6b3bA-4yvdA:
undetectable		 6b3bA-4yvdA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 PHE A 915
GLY A 949
ASN A 947
ILE A 969
LEU A1020
 None
 1.11A 6b3bA-4zktA:
undetectable		 6b3bA-4zktA:
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 PHE A 141
GLY A 170
GLY A 172
ALA A 175
ILE A 122
 None
 1.19A 6b3bA-5ao0A:
undetectable		 6b3bA-5ao0A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 GLY I 334
GLY I 351
TYR I 336
ASN I 353
ASP I 318
 None
 1.06A 6b3bA-5b04I:
2.6		 6b3bA-5b04I:
23.50
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.
5bvi INTERFERON
REGULATORY FACTOR 4

(Mus musculus) 		PF10401
(IRF-3) 		5 HIS A 404
GLY A 338
ALA A 341
ILE A 334
LEU A 385
 None
 1.15A 6b3bA-5bviA:
undetectable		 6b3bA-5bviA:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5caj UPF0246 PROTEIN YAAA

(Escherichia
coli) 		PF03883
(H2O2_YaaD) 		5 PHE A  83
GLY A 113
GLY A 116
ASN A  30
LEU A 129
 None
 1.09A 6b3bA-5cajA:
undetectable		 6b3bA-5cajA:
18.61
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.
5caj UPF0246 PROTEIN YAAA

(Escherichia
coli) 		PF03883
(H2O2_YaaD) 		5 PHE A  83
GLY A 113
GLY A 116
ILE A 133
LEU A 129
 None
 1.15A 6b3bA-5cajA:
undetectable		 6b3bA-5cajA:
18.61
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.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 GLY A  67
GLY A  69
ALA A  95
ASP A 112
ILE A 113
 SAH  A 300 (-3.6A)
SAH  A 300 ( 3.7A)
SAH  A 300 ( 4.5A)
SAH  A 300 (-2.9A)
SAH  A 300 (-4.5A)
 1.16A 6b3bA-5dm4A:
11.1		 6b3bA-5dm4A:
18.74
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 HIS A  31
GLY A 117
GLY A  74
LEU A  77
PRO A 222
 None
 1.14A 6b3bA-5h6sA:
undetectable		 6b3bA-5h6sA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
GLY A  27
ALA A  28
ASP A  47
ILE A  46
 None
 1.15A 6b3bA-5ha5A:
7.5		 6b3bA-5ha5A:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A   8
GLY A  10
ASN A  33
ALA A  36
LEU A  65
 NAD  A 401 ( 3.7A)
NAD  A 401 (-3.3A)
None
NAD  A 401 ( 4.4A)
NAD  A 401 (-4.9A)
 0.98A 6b3bA-5je8A:
4.4		 6b3bA-5je8A:
20.37
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.
5llt NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Plasmodium
falciparum) 		PF01467
(CTP_transf_like) 		5 PHE A  13
GLY A 107
ASN A 129
ILE A 133
LEU A 108
 DND  A 301 (-4.4A)
None
None
None
DND  A 301 (-4.6A)
 1.17A 6b3bA-5lltA:
2.3		 6b3bA-5lltA:
15.94
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 GLY A 248
TYR A 284
ALA A 250
ASP A 214
LEU A 244
 None
 1.10A 6b3bA-5u2oA:
undetectable		 6b3bA-5u2oA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
GLY A 133
ASN A 154
ALA A 157
ASP A 179
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
None
SAH  A 414 ( 4.1A)
SAH  A 414 (-2.9A)
 0.82A 6b3bA-5u4tA:
7.5		 6b3bA-5u4tA:
18.90
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 MET A 130
GLY A 131
GLY A 133
ASN A 154
ALA A 157
 SAH  A 414 ( 3.6A)
SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
None
SAH  A 414 ( 4.1A)
 0.60A 6b3bA-5u4tA:
7.5		 6b3bA-5u4tA:
18.90
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 PHE A 478
MET A 442
GLY A 439
GLY A 434
ASN A 534
 None
 1.14A 6b3bA-5um6A:
5.2		 6b3bA-5um6A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0a GLUCANASE

(Trichoderma
harzianum) 		no annotation 5 GLY A 163
ASN A 153
ALA A 156
ASP A 115
LEU A 112
 GLY  A 163 ( 0.0A)
ASN  A 153 ( 0.6A)
ALA  A 156 (-0.0A)
ASP  A 115 ( 0.5A)
LEU  A 112 ( 0.6A)
 0.95A 6b3bA-5w0aA:
undetectable		 6b3bA-5w0aA:
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 PHE A 144
GLY A 224
GLY A 226
ALA A 215
ILE A 220
 None
 1.07A 6b3bA-5xa2A:
3.9		 6b3bA-5xa2A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 MET B 177
GLY B 172
ILE B 222
LEU B 224
PRO B 219
 None
None
SF4  B 302 (-4.6A)
SF4  B 302 (-4.7A)
SF4  B 302 (-4.5A)
 1.14A 6b3bA-5xmjB:
undetectable		 6b3bA-5xmjB:
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.
5xw3 O-ACETYLSERINE LYASE

(Bacillus
anthracis) 		PF00291
(PALP) 		5 GLY A  48
ASN A 150
ALA A 153
LEU A  79
PRO A  70
 None
 1.17A 6b3bA-5xw3A:
3.1		 6b3bA-5xw3A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 12 HIS A 249
PHE A 253
MET A 279
GLY A 280
GLY A 282
TYR A 316
ASN A 317
ALA A 320
ASP A 339
ILE A 340
LEU A 367
PRO A 372
 SAM  A 701 (-3.7A)
SAM  A 701 (-4.9A)
SAM  A 701 ( 3.9A)
SAM  A 701 (-3.7A)
SAM  A 701 (-3.3A)
SAM  A 701 (-3.5A)
SAM  A 701 (-4.9A)
SAM  A 701 (-3.6A)
SAM  A 701 (-3.2A)
SAM  A 701 (-4.3A)
SAM  A 701 (-4.3A)
SAM  A 701 (-4.5A)
 0.01A 6b3bA-6b3bA:
59.7		 6b3bA-6b3bA:
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 5 PHE A 173
GLY A 202
GLY A 204
ALA A 207
ILE A 154
 None
 1.16A 6b3bA-6brkA:
undetectable		 6b3bA-6brkA:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 PHE I 176
MET I 137
GLY I   8
ALA I  67
ILE I 139
 None
 1.18A 6b3bA-6esqI:
undetectable		 6b3bA-6esqI:
undetectable