SIMILAR PATTERNS OF AMINO ACIDS FOR 5LG3_J_Z80J401_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Candida
albicans) 		PF00150
(Cellulase) 		5 ILE A  15
VAL A 289
ASN A 191
ASP A 133
ILE A 224
 None
None
CTS  A 401 (-3.1A)
None
None
 0.97A 5lg3J-1eqcA:
undetectable		 5lg3J-1eqcA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g4u PROTEIN TYROSINE
PHOSPHATASE SPTP

(Salmonella
enterica) 		PF00102
(Y_phosphatase)
PF03545
(YopE) 		5 ILE S 315
THR S 304
GLU S 279
ASN S 282
ILE S 317
 None
 1.18A 5lg3J-1g4uS:
0.0		 5lg3J-1g4uS:
20.60
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.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		5 ILE A  29
ILE A  57
GLU A  52
ASP A  53
ILE A 290
 None
 1.21A 5lg3J-1hzoA:
0.0		 5lg3J-1hzoA:
20.38
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.
1iwd ERVATAMIN B

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		5 ILE A 190
VAL A 176
ASN A 195
GLU A 117
ILE A 205
 None
 1.19A 5lg3J-1iwdA:
0.0		 5lg3J-1iwdA:
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ILE A  68
PHE A 142
THR A 244
ASN A 294
ILE A 446
 None
None
NAD  A 900 (-4.6A)
None
None
 1.04A 5lg3J-1la2A:
0.1		 5lg3J-1la2A:
22.94
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.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		5 ILE A 375
VAL A  44
GLU A  67
ASN A  70
ILE A  74
 None
 1.08A 5lg3J-1uz4A:
undetectable		 5lg3J-1uz4A:
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.
1vj7 BIFUNCTIONAL
RELA/SPOT

(Streptococcus
dysgalactiae) 		PF04607
(RelA_SpoT)
PF13328
(HD_4) 		5 ILE A 322
ILE A 268
VAL A 315
THR A 313
ILE A 285
 None
 1.08A 5lg3J-1vj7A:
0.4		 5lg3J-1vj7A:
21.52
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Lactococcus
lactis) 		PF01634
(HisG) 		5 PHE E  57
VAL E  68
THR E  72
ASN E  76
ILE E  55
 None
 1.10A 5lg3J-1z7mE:
undetectable		 5lg3J-1z7mE:
21.04
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		5 ILE A 351
ILE A 308
PHE A 295
VAL A 382
ILE A 280
 None
 1.19A 5lg3J-1zjcA:
undetectable		 5lg3J-1zjcA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 291
ILE A 249
VAL A  89
ASN A 128
ILE A 119
 None
 1.03A 5lg3J-2cl2A:
undetectable		 5lg3J-2cl2A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 291
ILE A 249
VAL A  89
TRP A 103
ILE A 119
 None
 1.15A 5lg3J-2cl2A:
undetectable		 5lg3J-2cl2A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dk5 DNA-DIRECTED RNA
POLYMERASE III 39
KDA POLYPEPTIDE

(Homo sapiens) 		PF05158
(RNA_pol_Rpc34) 		5 ILE A  28
ILE A  37
VAL A  25
ASN A  54
TRP A  38
 None
 1.10A 5lg3J-2dk5A:
undetectable		 5lg3J-2dk5A:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dmz INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  79
ILE A  48
VAL A  74
ASP A  69
ILE A  31
 None
 1.01A 5lg3J-2dmzA:
undetectable		 5lg3J-2dmzA:
18.82
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 ILE A 392
ILE A 370
PHE A 448
ASP A 365
ILE A 455
 None
 1.08A 5lg3J-2hckA:
undetectable		 5lg3J-2hckA:
20.50
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 370
ILE A 348
PHE A 426
ASP A 343
ILE A 433
 None
 1.17A 5lg3J-2hk5A:
undetectable		 5lg3J-2hk5A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hl7 CYTOCHROME C-TYPE
BIOGENESIS PROTEIN
CCMH

(Pseudomonas
aeruginosa) 		PF03918
(CcmH) 		5 ILE A  61
ILE A  48
PHE A  16
ASP A  43
ILE A  33
 None
 1.21A 5lg3J-2hl7A:
undetectable		 5lg3J-2hl7A:
13.65
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.
2hxd DCTP DEAMINASE,
DUMP-FORMING

(Methanocaldococcus
jannaschii) 		PF00692
(dUTPase) 		5 ILE A  42
ILE A  59
VAL A  96
ASP A  38
ILE A  65
 None
 0.98A 5lg3J-2hxdA:
undetectable		 5lg3J-2hxdA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jf3 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A  86
ILE A  68
THR A 109
ASN A  72
ILE A 123
 None
 1.17A 5lg3J-2jf3A:
undetectable		 5lg3J-2jf3A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lv4 PUTATIVE OUTER
MEMBRANE OR EXPORTED
PROTEIN

(Salmonella
enterica) 		PF16583
(ZirS_C) 		5 ILE A 258
ILE A 272
VAL A 219
ASN A 223
GLU A 254
 None
 0.87A 5lg3J-2lv4A:
undetectable		 5lg3J-2lv4A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pwq UBIQUITIN
CONJUGATING ENZYME

(Plasmodium
yoelii) 		PF00179
(UQ_con) 		5 ILE A  14
PHE A  37
ASN A  30
GLU A  33
ILE A  55
 None
 1.17A 5lg3J-2pwqA:
undetectable		 5lg3J-2pwqA:
20.45
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.
2qga ADENYLOSUCCINATE
LYASE

(Plasmodium
vivax) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 ILE B  74
ILE B  69
VAL B  77
GLU B  97
ASN B 101
 None
 1.18A 5lg3J-2qgaB:
undetectable		 5lg3J-2qgaB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rkc HEMAGGLUTININ

(Measles
morbillivirus) 		PF00423
(HN) 		5 ILE A 306
VAL A 367
THR A 369
ASP A 347
ILE A 427
 None
 1.17A 5lg3J-2rkcA:
undetectable		 5lg3J-2rkcA:
21.08
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		5 ILE A 217
ILE A 187
VAL A 234
ASN A 237
ILE A 240
 None
 1.05A 5lg3J-2z61A:
undetectable		 5lg3J-2z61A:
23.72
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.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		5 ILE A1534
PHE A1579
VAL A1535
TRP A1575
ILE A1577
 None
 1.15A 5lg3J-3b13A:
undetectable		 5lg3J-3b13A:
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.
3b6y GAMMA-INTERFERON-IND
UCIBLE PROTEIN
IFI-16

(Homo sapiens) 		PF02760
(HIN) 		5 PHE A  41
VAL A  74
THR A  78
ASP A   6
ILE A  62
 None
 1.21A 5lg3J-3b6yA:
undetectable		 5lg3J-3b6yA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 ILE A 247
ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.35A 5lg3J-3bmwA:
undetectable		 5lg3J-3bmwA:
19.56
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 ILE A 165
ILE A 171
VAL A 139
THR A 125
ILE A 127
 None
 0.97A 5lg3J-3cj8A:
undetectable		 5lg3J-3cj8A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cta RIBOFLAVIN KINASE

(Thermoplasma
acidophilum) 		PF01982
(CTP-dep_RFKase)
PF13545
(HTH_Crp_2) 		5 ILE A 196
ILE A 134
VAL A 182
ASP A 192
ILE A  95
 None
 1.05A 5lg3J-3ctaA:
undetectable		 5lg3J-3ctaA:
20.36
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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 ILE C 532
ILE C 537
VAL C 481
THR C 499
ASN C 503
 None
A  A  67 ( 4.8A)
None
None
None
 1.20A 5lg3J-3degC:
undetectable		 5lg3J-3degC:
20.44
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ILE A  98
ILE A  37
VAL A 126
THR A 124
ASN A  30
 None
 1.20A 5lg3J-3egeA:
undetectable		 5lg3J-3egeA:
23.17
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.
3eh0 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 ILE A 231
ILE A 225
VAL A 249
THR A 247
ILE A 261
 None
 1.20A 5lg3J-3eh0A:
undetectable		 5lg3J-3eh0A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ILE A 214
VAL A 216
THR A 231
ASN A 247
ASP A 250
 None
 1.00A 5lg3J-3gbrA:
undetectable		 5lg3J-3gbrA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 480
VAL B 485
THR B 488
GLU B 491
ILE B 549
 None
 1.18A 5lg3J-3hkzB:
undetectable		 5lg3J-3hkzB:
15.00
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 ILE A 198
PHE A 194
VAL A 202
THR A 166
GLU A 109
 None
 1.14A 5lg3J-3ht4A:
undetectable		 5lg3J-3ht4A:
23.41
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 ILE A  86
ILE A  47
VAL A 110
ASN A 254
ASP A 256
 None
 1.20A 5lg3J-3huuA:
undetectable		 5lg3J-3huuA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5q NUCLEOPORIN NUP170

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B1271
ILE B1275
PHE B1311
VAL B1268
ASP B1298
 None
 1.15A 5lg3J-3i5qB:
undetectable		 5lg3J-3i5qB:
22.29
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.
3imf SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 ILE A  67
VAL A  57
THR A  33
ASN A  87
ILE A   7
 None
 1.09A 5lg3J-3imfA:
undetectable		 5lg3J-3imfA:
19.17
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 ILE A 223
ASN A 397
ASP A 206
TRP A 203
ILE A 513
 None
 1.14A 5lg3J-3kbhA:
1.9		 5lg3J-3kbhA:
16.97
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ILE A 165
ILE A 164
PHE A 156
ASN A 189
GLU A 188
 None
None
None
MG  A 521 ( 2.9A)
None
 1.15A 5lg3J-3lijA:
undetectable		 5lg3J-3lijA:
20.08
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.
3me8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF02630
(SCO1-SenC) 		5 ILE A  55
ILE A  32
VAL A  54
ASN A 128
ILE A 143
 None
 1.08A 5lg3J-3me8A:
undetectable		 5lg3J-3me8A:
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.
3mqg LIPOPOLYSACCHARIDES
BIOSYNTHESIS
ACETYLTRANSFERASE

(Bordetella
petrii) 		PF00132
(Hexapep) 		5 ILE A  28
ILE A  22
VAL A  46
ASN A  61
ILE A  58
 None
 1.00A 5lg3J-3mqgA:
undetectable		 5lg3J-3mqgA:
20.82
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.
3nep MALATE DEHYDROGENASE

(Salinibacter
ruber) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE X 219
ILE X 227
PHE X 175
VAL X 212
THR X 206
 None
 1.03A 5lg3J-3nepX:
undetectable		 5lg3J-3nepX:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o03 DEHYDROGENASE WITH
DIFFERENT
SPECIFICITIES

(Streptococcus
suis) 		PF13561
(adh_short_C2) 		5 ILE A 148
ILE A 191
THR A 174
ASN A 251
ILE A 254
 NAP  A 273 (-4.2A)
None
None
None
None
 1.06A 5lg3J-3o03A:
undetectable		 5lg3J-3o03A:
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 ILE A 648
ILE A 657
VAL A 700
THR A 697
ILE A 680
 None
 1.19A 5lg3J-3ob8A:
undetectable		 5lg3J-3ob8A:
14.63
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE

(Klebsiella
pneumoniae) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ILE A 101
ILE A 127
VAL A  97
THR A  94
ILE A 119
 None
 1.22A 5lg3J-3plrA:
undetectable		 5lg3J-3plrA:
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 ILE A 303
ILE A 128
PHE A 285
ASP A 133
ILE A 308
 None
 1.18A 5lg3J-3qkiA:
undetectable		 5lg3J-3qkiA:
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A  24
ILE A 116
VAL A   6
ASN A 107
ILE A  73
 None
 1.20A 5lg3J-3qtpA:
undetectable		 5lg3J-3qtpA:
21.18
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.
3r0s ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Campylobacter
jejuni) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A  95
ILE A 108
VAL A  64
THR A  50
ILE A  52
 None
 0.96A 5lg3J-3r0sA:
undetectable		 5lg3J-3r0sA:
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		5 ILE A 119
ILE A 169
VAL A 121
ASN A  22
ILE A   8
 None
 1.21A 5lg3J-3r9wA:
undetectable		 5lg3J-3r9wA:
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.
3s5t DUF3298 FAMILY
PROTEIN

(Bacteroides
fragilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		5 ILE A 189
PHE A 235
GLU A 280
ASN A 150
ASP A 177
 None
 1.21A 5lg3J-3s5tA:
undetectable		 5lg3J-3s5tA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 ILE A 318
ILE A 213
VAL A 361
ASN A 188
ASP A 365
 None
 1.20A 5lg3J-3sl1A:
undetectable		 5lg3J-3sl1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6o SULFATE
TRANSPORTER/ANTISIGM
A-FACTOR ANTAGONIST
STAS

(Planctopirus
limnophila) 		no annotation 5 ILE A   4
PHE A  36
THR A   7
GLU A   9
ASP A  51
 None
None
CL  A 119 (-4.4A)
None
None
 1.16A 5lg3J-3t6oA:
undetectable		 5lg3J-3t6oA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7y YOP PROTEINS
TRANSLOCATION
PROTEIN U

(Chlamydia
trachomatis) 		PF01312
(Bac_export_2) 		5 ILE A 270
ILE A 282
VAL A 333
THR A 329
GLU A 318
 None
 1.21A 5lg3J-3t7yA:
undetectable		 5lg3J-3t7yA:
14.92
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 ILE A 621
ILE A 686
VAL A 347
THR A 697
GLU A 714
 None
 1.02A 5lg3J-3tlmA:
undetectable		 5lg3J-3tlmA:
15.13
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.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE

(Acetobacter
aceti) 		PF02515
(CoA_transf_3) 		5 ILE A  42
ILE A  17
VAL A  76
GLU A 413
ASP A  38
 None
 1.21A 5lg3J-3ubmA:
undetectable		 5lg3J-3ubmA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uvj GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 ILE A 571
ILE A 487
PHE A 490
VAL A 563
ASN A 507
 None
 1.06A 5lg3J-3uvjA:
undetectable		 5lg3J-3uvjA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 ILE B 132
ILE A 538
VAL B 136
THR B  84
ASP A 534
 None
 1.05A 5lg3J-3vrbB:
undetectable		 5lg3J-3vrbB:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a42 ALPHA-N-ACETYLGLUCOS
AMINIDASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 ILE A1547
ILE A1618
PHE A1539
ASP A1551
ILE A1564
 None
 1.11A 5lg3J-4a42A:
undetectable		 5lg3J-4a42A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 ILE V1339
ILE V1407
GLU V1288
ASP V1332
ILE V1284
 None
 1.21A 5lg3J-4bxsV:
undetectable		 5lg3J-4bxsV:
12.61
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.
4c0h MRNA CLEAVAGE AND
POLYADENYLATION
FACTOR CLP1

(Saccharomyces
cerevisiae) 		PF06807
(Clp1)
PF16573
(CLP1_N)
PF16575
(CLP1_P) 		5 ILE A 411
VAL A 414
GLU A 351
ASP A 352
ILE A 376
 None
 1.20A 5lg3J-4c0hA:
undetectable		 5lg3J-4c0hA:
21.52
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		5 ILE A 444
VAL A 424
GLU A 413
ASN A 455
ILE A 477
 None
 0.95A 5lg3J-4ckbA:
undetectable		 5lg3J-4ckbA:
15.84
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.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		5 ILE A 174
VAL A 353
THR A 388
ASN A 407
ILE A 146
 None
 1.15A 5lg3J-4d2iA:
undetectable		 5lg3J-4d2iA:
20.93
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.
4d70 SORTASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF04203
(Sortase) 		5 ILE A 121
ILE A 168
GLU A  31
ASN A  88
ILE A  65
 None
 1.19A 5lg3J-4d70A:
undetectable		 5lg3J-4d70A:
18.89
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ILE A 257
ILE A 217
VAL A 275
THR A 273
ILE A 290
 None
 1.09A 5lg3J-4gaaA:
3.4		 5lg3J-4gaaA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		5 ILE A 273
ILE A 225
PHE A 268
GLU A 249
TRP A 252
 None
 1.20A 5lg3J-4h41A:
undetectable		 5lg3J-4h41A:
21.27
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.
4k68 GH10 XYLANASE

(soil metagenome) 		PF00331
(Glyco_hydro_10) 		5 ILE A 253
ILE A 320
PHE A 321
ASP A 273
ILE A 269
 None
 1.18A 5lg3J-4k68A:
undetectable		 5lg3J-4k68A:
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.
4ljs PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 251
PHE A 215
ASN A 293
ASP A 262
ILE A 264
 None
 1.17A 5lg3J-4ljsA:
undetectable		 5lg3J-4ljsA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		5 ILE A  96
ILE A 140
VAL A 252
ASN A 130
ILE A 215
 None
 1.19A 5lg3J-4llfA:
undetectable		 5lg3J-4llfA:
22.94
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.
4mla CYTOKININ OXIDASE 2

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ILE A 455
VAL A 390
ASN A 275
ASP A 397
ILE A 403
 None
 1.18A 5lg3J-4mlaA:
undetectable		 5lg3J-4mlaA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 ILE A 571
ILE A 487
PHE A 490
VAL A 563
ASN A 507
 None
EDO  A 702 (-3.8A)
EDO  A 702 ( 3.0A)
None
None
 1.15A 5lg3J-4ni2A:
undetectable		 5lg3J-4ni2A:
18.71
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.
4oya ADENYLATE CYCLASE
TYPE 10

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 ILE A  79
ILE A  48
VAL A 396
THR A 405
ILE A 407
 None
 0.97A 5lg3J-4oyaA:
undetectable		 5lg3J-4oyaA:
19.92
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.
4p7y METHIONINE
GAMMA-LYASE

(Citrobacter
freundii) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 203
ILE A 223
VAL A 183
GLU A 156
ILE A  92
 None
None
None
LLP  A 210 ( 3.7A)
None
 1.12A 5lg3J-4p7yA:
undetectable		 5lg3J-4p7yA:
21.55
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ILE A 146
ILE A 177
VAL A 139
THR A 137
ASN A 135
 None
 1.20A 5lg3J-4pdxA:
undetectable		 5lg3J-4pdxA:
19.50
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 ILE A 117
VAL A 122
THR A 125
ASN A 129
ILE A 160
 None
 1.18A 5lg3J-4s3jA:
undetectable		 5lg3J-4s3jA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		5 ILE A  20
ILE A  23
ASP A 158
TRP A 160
ILE A 162
 None
 0.72A 5lg3J-4twfA:
32.4		 5lg3J-4twfA:
99.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		6 ILE A  20
ILE A  23
PHE A 126
ASN A 154
ASP A 158
TRP A 160
 None
 0.66A 5lg3J-4twfA:
32.4		 5lg3J-4twfA:
99.35
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		5 ILE A 110
ILE A 106
PHE A 128
ASN A 379
ILE A 348
 None
 1.20A 5lg3J-4wbdA:
undetectable		 5lg3J-4wbdA:
18.48
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 ILE A 534
VAL A 568
THR A 566
ASN A 564
ILE A 245
 None
 1.13A 5lg3J-4wgkA:
undetectable		 5lg3J-4wgkA:
18.13
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.
4y68 PUTATIVE
NISIN-RESISTANCE
PROTEIN

(Streptococcus
agalactiae) 		no annotation 5 ILE C 228
PHE C 245
THR C 234
ASN C 168
ASP C 164
 None
 1.21A 5lg3J-4y68C:
undetectable		 5lg3J-4y68C:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		6 ILE A  20
ILE A  23
PHE A 126
ASN A 154
TRP A 160
ILE A 162
 None
 0.77A 5lg3J-4yeuA:
29.5		 5lg3J-4yeuA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		7 ILE A  20
ILE A  23
PHE A 126
VAL A 147
ASN A 154
ASP A 158
TRP A 160
 None
 1.12A 5lg3J-4yeuA:
29.5		 5lg3J-4yeuA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		6 ILE A  23
PHE A 126
THR A 149
ASN A 154
TRP A 160
ILE A 162
 None
 0.95A 5lg3J-4yeuA:
29.5		 5lg3J-4yeuA:
71.88
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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		5 ILE A 143
ILE A 186
THR A 169
ASN A 246
ILE A 249
 None
 1.10A 5lg3J-4z9xA:
undetectable		 5lg3J-4z9xA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		5 ILE A 279
ILE A 219
THR A 212
ASN A 189
ILE A 252
 None
None
PLP  A 301 (-3.6A)
PLP  A 301 ( 3.7A)
None
 1.22A 5lg3J-5ce8A:
undetectable		 5lg3J-5ce8A:
20.63
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.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 ILE A 239
ILE A 199
VAL A 227
ASN A 232
ASP A 233
 None
 1.21A 5lg3J-5dnyA:
undetectable		 5lg3J-5dnyA:
20.63
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.
5fl3 PILI RETRACTION
PROTEIN PILT

(Thermus
thermophilus) 		PF00437
(T2SSE) 		5 ILE A 250
ILE A 247
THR A 139
ASP A 242
ILE A 273
 None
 1.21A 5lg3J-5fl3A:
undetectable		 5lg3J-5fl3A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		5 ILE A 338
ILE A 281
ASP A 260
TRP A 262
ILE A 267
 None
 1.21A 5lg3J-5fqeA:
undetectable		 5lg3J-5fqeA:
21.55
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.
5g6r IMINE REDUCTASE

(Aspergillus
oryzae) 		PF03446
(NAD_binding_2) 		5 ILE A  63
ILE A   5
VAL A  89
THR A  87
ILE A 145
 None
 1.11A 5lg3J-5g6rA:
undetectable		 5lg3J-5g6rA:
24.27
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 ILE B1167
VAL B1181
ASN B1155
GLU B1154
ILE B 949
 None
 0.96A 5lg3J-5gjeB:
undetectable		 5lg3J-5gjeB:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hd2 PARASPORAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 ILE A 183
VAL A 254
THR A  94
ASN A 137
GLU A 113
 None
 1.19A 5lg3J-5hd2A:
undetectable		 5lg3J-5hd2A:
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.
5ihy UNCHARACTERIZED
PROTEIN

(Bacillus
subtilis) 		PF01966
(HD) 		5 ILE A  97
ILE A  94
VAL A  57
THR A  53
ASP A  89
 None
 1.12A 5lg3J-5ihyA:
undetectable		 5lg3J-5ihyA:
19.55
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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Arabidopsis
thaliana) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17) 		5 ILE A 268
ILE A 269
PHE A 273
VAL A 229
ASN A 289
 None
None
None
None
NI  A 501 ( 2.9A)
 1.15A 5lg3J-5jjtA:
undetectable		 5lg3J-5jjtA:
19.30
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B 175
ILE B 160
VAL B  48
ASN B  55
GLU B  54
 None
 1.21A 5lg3J-5n28B:
undetectable		 5lg3J-5n28B:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A2680
ILE A2666
VAL A2679
THR A2626
GLU A3006
 None
 1.07A 5lg3J-5nugA:
undetectable		 5lg3J-5nugA:
5.24
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 ILE A 151
ILE A 162
VAL A 127
THR A 129
GLU A 130
 None
 1.17A 5lg3J-5um6A:
undetectable		 5lg3J-5um6A:
15.56
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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)

(Sorghum bicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 251
PHE A 201
VAL A 276
ASN A 112
ASP A 307
 None
None
NAP  A 405 (-3.4A)
None
None
 1.22A 5lg3J-5vktA:
undetectable		 5lg3J-5vktA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vlj NUCLEAR DISTRIBUTION
PROTEIN PAC1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE B 310
ILE B 281
VAL B 305
ASN B 266
ILE B 261
 None
 1.15A 5lg3J-5vljB:
undetectable		 5lg3J-5vljB:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yw5 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		no annotation 5 ILE A  26
ILE A  10
PHE A 175
THR A  39
ASN A   2
 None
 1.16A 5lg3J-5yw5A:
undetectable		 5lg3J-5yw5A:
12.75
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.
6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ

(Pyrococcus
furiosus) 		no annotation 5 ILE J  68
ILE J  97
VAL J  27
ASN J  31
ILE J  42
 None
 1.19A 5lg3J-6cfwJ:
undetectable		 5lg3J-6cfwJ:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cpb CARBON MONOXIDE
OXIDATION SYSTEM
TRANSCRIPTION
REGULATOR COOA-1

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ILE A  78
VAL A  49
THR A  98
GLU A  27
ILE A 106
 None
 1.19A 5lg3J-6cpbA:
undetectable		 5lg3J-6cpbA:
13.36