SIMILAR PATTERNS OF AMINO ACIDS FOR 4N48_B_SAMB601_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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 GLY A 563
PHE A 565
THR A 204
GLY A 492
LEU A 241
 None
 1.19A 4n48B-1ciyA:
undetectable		 4n48B-1ciyA:
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 132
GLY A 297
ILE A 285
THR A 279
LEU A 272
 None
 1.02A 4n48B-1geuA:
undetectable		 4n48B-1geuA:
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00117
(GATase) 		5 ALA H  18
GLY H  48
GLY H  13
GLY H  80
LEU H  88
 None
 1.15A 4n48B-1ka9H:
undetectable		 4n48B-1ka9H:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 GLY A 409
GLY A 322
THR A  44
GLY A  22
LEU A 414
 None
 1.23A 4n48B-1kfwA:
undetectable		 4n48B-1kfwA:
22.03
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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 ALA A 202
GLY A 115
GLY A  62
PHE A  61
GLY A 118
 None
 1.12A 4n48B-1ks8A:
undetectable		 4n48B-1ks8A:
20.75
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 240
GLY A 182
THR A 277
ASN A 261
GLY A 258
 None
None
None
CA  A 702 (-3.1A)
None
 1.08A 4n48B-1lrwA:
undetectable		 4n48B-1lrwA:
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 ALA B 245
GLY B 149
PHE B 150
THR B 137
ILE B 135
 None
 0.97A 4n48B-1mioB:
undetectable		 4n48B-1mioB:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  27
GLY A  25
PHE A  23
THR A 130
GLY A  33
 EPU  A 598 (-3.7A)
EPU  A 598 (-3.5A)
None
None
None
 1.10A 4n48B-1p31A:
undetectable		 4n48B-1p31A:
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.
1pek PROTEINASE K

(Parengyodontium
album) 		PF00082
(Peptidase_S8) 		5 GLY E  75
GLY E  78
THR E 211
ILE E 213
GLY E  70
 None
 1.02A 4n48B-1pekE:
2.5		 4n48B-1pekE:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  97
GLY A  77
LEU A  29
ILE A  54
GLY A  62
 None
 1.00A 4n48B-1poxA:
undetectable		 4n48B-1poxA:
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 GLY A 190
GLY A 162
PHE A  56
GLY A 185
LEU A 242
 None
None
PLP  A 350 (-4.7A)
PLP  A 350 (-3.4A)
None
 1.09A 4n48B-1v71A:
undetectable		 4n48B-1v71A:
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.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		5 GLY A 154
LEU A 187
THR A 198
GLY A 180
LEU A 206
 None
 1.01A 4n48B-1v72A:
2.5		 4n48B-1v72A:
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.
1xec DECORIN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ALA A 166
GLY A 189
PHE A 167
ILE A 204
THR A 205
 None
 1.14A 4n48B-1xecA:
undetectable		 4n48B-1xecA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A 108
GLY A 109
THR A  24
ILE A  47
GLY A  31
 None
 0.96A 4n48B-1yxmA:
7.6		 4n48B-1yxmA:
21.20
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.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 CYH A 242
GLY A 244
ILE A 240
GLY A 161
LEU A 164
 None
ADP  A 501 (-3.0A)
None
None
None
 1.08A 4n48B-2cduA:
undetectable		 4n48B-2cduA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 ALA A  58
GLY A 107
THR A 237
LEU A 248
GLY A 174
 None
 1.20A 4n48B-2gtxA:
undetectable		 4n48B-2gtxA:
21.60
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLY A  20
GLY A  22
PHE A  24
ILE A  61
THR A  62
 SAH  A 328 (-3.3A)
None
SAH  A 328 (-4.8A)
SAH  A 328 (-4.3A)
SAH  A 328 ( 4.3A)
 0.58A 4n48B-2i9kA:
7.1		 4n48B-2i9kA:
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.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 GLY A 259
GLY A 261
ILE A 231
GLY A 186
LEU A 235
 None
 1.00A 4n48B-2iu4A:
undetectable		 4n48B-2iu4A:
22.70
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 GLY A  64
GLY A  81
LEU A  18
ASN A  20
LEU A  75
 None
 0.86A 4n48B-2iuyA:
2.9		 4n48B-2iuyA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY X 113
GLY X 111
THR X 116
ASN X 114
GLY X 107
 None
2MD  X 801 (-3.8A)
None
None
None
 1.12A 4n48B-2iv2X:
undetectable		 4n48B-2iv2X:
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.
2rjz PILO PROTEIN

(Pseudomonas
aeruginosa) 		PF04350
(PilO) 		5 GLY A 122
GLY A 124
ILE A 116
GLY A 163
LEU A 167
 None
 1.19A 4n48B-2rjzA:
undetectable		 4n48B-2rjzA:
15.76
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.
2vug PAB1020

(Pyrococcus
abyssi) 		PF09414
(RNA_ligase) 		5 GLY A  55
GLY A 116
LEU A  52
GLY A  31
LEU A  26
 None
 1.02A 4n48B-2vugA:
undetectable		 4n48B-2vugA:
21.50
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  84
GLY A  86
THR A 105
LEU A 106
THR A 134
 SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.8A)
 0.72A 4n48B-2wa2A:
16.9		 4n48B-2wa2A:
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 160
GLY A  91
GLY A  92
GLY A  88
LEU A 124
 None
 0.97A 4n48B-2y8vA:
undetectable		 4n48B-2y8vA:
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 ALA A 389
GLY A 332
THR A 160
THR A 319
GLY A  89
 None
 1.21A 4n48B-2z2zA:
undetectable		 4n48B-2z2zA:
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.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A 296
GLY A 297
ILE A  62
THR A  63
GLY A 222
 None
 1.17A 4n48B-2zauA:
undetectable		 4n48B-2zauA:
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ALA A 228
GLY A 585
GLY A 495
THR A 550
ILE A 520
 None
 1.13A 4n48B-3cf4A:
2.0		 4n48B-3cf4A:
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ALA A 529
GLY A 481
GLY A 484
THR A 559
GLY A 512
 None
 0.98A 4n48B-3cmgA:
undetectable		 4n48B-3cmgA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		5 ALA A 255
GLY A 251
GLY A 141
ILE A 219
GLY A 203
 None
 1.06A 4n48B-3cwcA:
undetectable		 4n48B-3cwcA:
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.
3dci ARYLESTERASE

(Agrobacterium
fabrum) 		PF13472
(Lipase_GDSL_2) 		5 ALA A  69
GLY A   8
THR A  12
LEU A  11
GLY A  49
 None
None
None
ACY  A 220 ( 4.9A)
ACY  A 220 ( 3.8A)
 0.80A 4n48B-3dciA:
2.9		 4n48B-3dciA:
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  83
GLY A  85
THR A 104
LEU A 105
ILE A 132
 SAH  A 901 (-3.3A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-4.5A)
SAH  A 901 (-4.0A)
SAH  A 901 (-3.8A)
 0.60A 4n48B-3evcA:
16.8		 4n48B-3evcA:
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.
3f9i 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Rickettsia
prowazekii) 		PF13561
(adh_short_C2) 		5 GLY A 138
GLY A 144
ILE A 201
THR A 205
GLY A 179
 None
 0.95A 4n48B-3f9iA:
6.7		 4n48B-3f9iA:
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A 368
GLY A 388
ILE A 120
GLY A  14
LEU A  42
 None
 1.18A 4n48B-3g05A:
undetectable		 4n48B-3g05A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ga2 ENDONUCLEASE V

(Bacillus
subtilis) 		PF04493
(Endonuclease_5) 		5 ALA A 132
CYH A 192
GLY A 119
GLY A 127
LEU A 190
 None
 1.14A 4n48B-3ga2A:
undetectable		 4n48B-3ga2A:
22.04
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 109
GLY A  96
GLY A 103
GLY A  93
LEU A 285
 None
 0.73A 4n48B-3gazA:
6.7		 4n48B-3gazA:
20.18
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.
3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00497
(SBP_bac_3) 		5 GLY A  75
PHE A  76
THR A  57
ILE A 114
GLY A 117
 None
 1.24A 4n48B-3i6vA:
undetectable		 4n48B-3i6vA:
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.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF00588
(SpoU_methylase) 		5 GLY A 145
GLY A 150
THR A  20
ILE A  45
LEU A  43
 None
 1.14A 4n48B-3ic6A:
undetectable		 4n48B-3ic6A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kcu PROBABLE FORMATE
TRANSPORTER 1

(Escherichia
coli) 		PF01226
(Form_Nir_trans) 		5 ALA A 227
GLY A 143
GLY A 146
ASN A 142
GLY A 236
 None
 1.18A 4n48B-3kcuA:
undetectable		 4n48B-3kcuA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		5 GLY A 122
PHE A 124
ILE A  35
GLY A  16
LEU A  20
 FAD  A1000 (-3.7A)
FAD  A1000 (-4.9A)
None
FAD  A1000 (-3.4A)
None
 1.13A 4n48B-3lzxA:
undetectable		 4n48B-3lzxA:
22.95
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 CYH A 286
GLY A  98
THR A 262
GLY A 288
LEU A 292
 None
 1.09A 4n48B-3mqtA:
undetectable		 4n48B-3mqtA:
22.15
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 CYH A 291
GLY A 103
THR A 267
GLY A 293
LEU A 297
 None
 1.12A 4n48B-3nzgA:
undetectable		 4n48B-3nzgA:
20.71
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.
3r50 IPOMOELIN

(Ipomoea batatas) 		PF01419
(Jacalin) 		5 GLY A 148
GLY A  14
ILE A  84
GLY A 135
LEU A  32
 None
 0.96A 4n48B-3r50A:
undetectable		 4n48B-3r50A:
14.62
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.
3rrl SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A

(Helicobacter
pylori) 		PF01144
(CoA_trans) 		5 GLY A  25
GLY A  30
ASN A  52
ILE A  21
THR A  20
 None
 1.21A 4n48B-3rrlA:
undetectable		 4n48B-3rrlA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A  21
GLY A  51
ILE A  86
GLY A   4
LEU A  88
 None
 1.16A 4n48B-3se7A:
undetectable		 4n48B-3se7A:
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.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A  25
GLY A  51
ILE A  86
GLY A   4
LEU A  88
 None
 1.07A 4n48B-3se7A:
undetectable		 4n48B-3se7A:
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.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		5 ALA A  34
LEU A  65
ILE A  98
THR A  94
LEU A  82
 None
 1.22A 4n48B-3sy8A:
undetectable		 4n48B-3sy8A:
24.05
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		5 GLY A 114
GLY A 106
THR A 250
LEU A 261
GLY A 187
 None
 1.02A 4n48B-3tavA:
undetectable		 4n48B-3tavA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A  68
GLY A 114
LEU A 338
ILE A 341
THR A 317
 None
 1.17A 4n48B-3tqpA:
undetectable		 4n48B-3tqpA:
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ALA A 916
GLY A1010
GLY A 911
GLY A 930
LEU A 400
 None
 1.21A 4n48B-3w9hA:
undetectable		 4n48B-3w9hA:
18.85
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 GLY A 158
GLY A 156
ILE A  85
GLY A 164
LEU A  12
 None
 0.66A 4n48B-3wbnA:
undetectable		 4n48B-3wbnA:
22.79
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ALA A 222
GLY A 135
GLY A  82
PHE A  81
GLY A 138
 None
 1.14A 4n48B-3wc3A:
undetectable		 4n48B-3wc3A:
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		5 GLY A  81
GLY A  83
ILE A 157
THR A 152
LEU A 148
 None
None
CL  A 309 ( 4.0A)
None
None
 1.02A 4n48B-3wwpA:
undetectable		 4n48B-3wwpA:
23.04
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 234
GLY A 176
THR A 271
ASN A 255
GLY A 252
 None
None
None
CA  A 702 ( 3.0A)
None
 1.00A 4n48B-4aahA:
undetectable		 4n48B-4aahA:
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 GLY A  18
GLY A  14
LEU A  23
ASN A  21
LEU A  58
 None
FAD  A1398 ( 4.6A)
None
None
None
 1.17A 4n48B-4bk1A:
undetectable		 4n48B-4bk1A:
19.96
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 GLY A 183
GLY A 181
PHE A  47
ILE A 188
LEU A  31
 None
 1.18A 4n48B-4bptA:
undetectable		 4n48B-4bptA:
21.51
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 ALA A 314
GLY A 107
GLY A 106
ILE A 244
LEU A  47
 None
 1.07A 4n48B-4c89A:
undetectable		 4n48B-4c89A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		5 ALA A 135
GLY A  68
GLY A 152
LEU A   7
LEU A 147
 None
ATP  A 400 (-3.2A)
ATP  A 400 (-3.4A)
None
None
 1.01A 4n48B-4ctaA:
undetectable		 4n48B-4ctaA:
23.91
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.
4dna PROBABLE GLUTATHIONE
REDUCTASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 134
GLY A 300
ILE A 288
THR A 282
LEU A 275
 None
 1.16A 4n48B-4dnaA:
undetectable		 4n48B-4dnaA:
21.95
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 429
GLY A 426
ILE A 218
GLY A 374
LEU A 399
 None
 1.23A 4n48B-4f7kA:
undetectable		 4n48B-4f7kA:
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 ALA A 339
THR A 250
ASN A 219
GLY A 271
LEU A 262
 None
 1.10A 4n48B-4gl3A:
undetectable		 4n48B-4gl3A:
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.
4hr6 LECTIN

(Trichosanthes
anguina) 		PF00652
(Ricin_B_lectin) 		5 GLY C  52
PHE C  48
ASN C  97
ILE C  74
LEU C  33
 None
 1.20A 4n48B-4hr6C:
undetectable		 4n48B-4hr6C:
20.19
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.
4hz4 GLUTATHIONE-S-TRANSF
ERASE

(Actinobacillus
pleuropneumoniae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ALA A 114
GLY A 134
ILE A 181
THR A 182
GLY A 169
 None
 1.16A 4n48B-4hz4A:
undetectable		 4n48B-4hz4A:
19.91
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 320
GLY A 285
GLY A 289
ILE A  55
THR A  52
 None
 1.12A 4n48B-4j3zA:
undetectable		 4n48B-4j3zA:
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.
4j6o METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF00149
(Metallophos) 		5 GLY A 274
LEU A 272
ASN A 273
THR A 286
LEU A 283
 None
 1.11A 4n48B-4j6oA:
undetectable		 4n48B-4j6oA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A  64
PHE A 382
THR A  67
ASN A  62
LEU A  74
 CA  A 702 ( 4.9A)
None
GOL  A 715 (-4.8A)
EDO  A 725 (-3.8A)
None
 1.18A 4n48B-4jclA:
undetectable		 4n48B-4jclA:
19.97
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A3851
GLY A3838
THR A3874
LEU A3871
LEU A3929
 None
 1.12A 4n48B-4kc5A:
undetectable		 4n48B-4kc5A:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		12 ALA A 236
CYH A 277
GLY A 279
GLY A 281
PHE A 283
THR A 301
LEU A 302
ASN A 306
ILE A 336
THR A 337
GLY A 365
LEU A 383
 SAM  A 601 (-3.2A)
SAM  A 601 (-3.7A)
SAM  A 601 (-3.5A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
None
SAM  A 601 (-4.1A)
SAM  A 601 ( 3.9A)
SAM  A 601 ( 4.0A)
SAM  A 601 (-4.6A)
 0.23A 4n48B-4n49A:
67.5		 4n48B-4n49A:
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A  61
GLY A  58
ILE A 319
GLY A 266
LEU A 271
 None
 0.94A 4n48B-4pvvA:
3.3		 4n48B-4pvvA:
21.17
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.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		5 ALA A  33
GLY A  49
GLY A  36
THR A 116
GLY A 113
 None
 0.94A 4n48B-4q34A:
undetectable		 4n48B-4q34A:
22.15
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 ALA A 456
GLY A 351
GLY A 348
THR A 361
GLY A 449
 None
 1.03A 4n48B-4qiqA:
undetectable		 4n48B-4qiqA:
23.05
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.
4r72 ABC-TYPE FE3+
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Actinobacillus
pleuropneumoniae) 		PF13343
(SBP_bac_6) 		5 GLY A 225
PHE A 158
LEU A 288
GLY A 108
LEU A 204
 None
None
GOL  A 404 (-3.9A)
None
None
 0.88A 4n48B-4r72A:
undetectable		 4n48B-4r72A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsj CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF06470
(SMC_hinge) 		5 ALA A 563
GLY A 521
ILE A 606
GLY A 524
LEU A 529
 None
 1.18A 4n48B-4rsjA:
undetectable		 4n48B-4rsjA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsj CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF06470
(SMC_hinge) 		5 ALA A 563
GLY A 521
PHE A 577
ILE A 606
GLY A 524
 None
 1.23A 4n48B-4rsjA:
undetectable		 4n48B-4rsjA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 GLY B 268
GLY B 210
THR B 305
ASN B 289
GLY B 286
 None
None
None
CA  B 701 ( 2.8A)
None
 1.05A 4n48B-4tqoB:
undetectable		 4n48B-4tqoB:
20.74
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.
4who PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C) 		5 GLY A 112
GLY A  77
ILE A  49
THR A 181
GLY A  46
 None
 1.02A 4n48B-4whoA:
undetectable		 4n48B-4whoA:
17.82
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 GLY A 320
GLY A 269
ILE A 316
GLY A 325
LEU A 177
 None
 0.81A 4n48B-4y9lA:
undetectable		 4n48B-4y9lA:
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.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		5 ALA A 207
GLY A 120
GLY A  69
PHE A  68
GLY A 123
 None
 1.15A 4n48B-4zg8A:
undetectable		 4n48B-4zg8A:
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.
5c2z EXFOLIATIVE TOXIN D2

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 GLY A  83
GLY A  71
THR A  93
ILE A 148
LEU A 270
 None
 1.21A 4n48B-5c2zA:
undetectable		 4n48B-5c2zA:
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.
5dbo TRANSLATION
INITIATION FACTOR
EIF-2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		5 ALA A 352
GLY A 283
ASN A 281
ILE A 334
LEU A 299
 None
 1.04A 4n48B-5dboA:
2.2		 4n48B-5dboA:
21.71
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.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA E 149
GLY E 381
THR E 100
LEU E  99
LEU E 143
 None
 1.24A 4n48B-5f7rE:
undetectable		 4n48B-5f7rE:
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.
5fcd MCCD

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		5 ALA A  98
CYH A  68
GLY A  73
ILE A  39
LEU A 123
 None
 1.14A 4n48B-5fcdA:
8.5		 4n48B-5fcdA:
21.20
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.
5fgu GREEN FLUORESCENT
PROTEIN,EXTRACELLULA
R STREPTODORNASE D

(Streptococcus
pyogenes;
Aequorea
victoria) 		PF01353
(GFP)
PF13930
(Endonuclea_NS_2) 		5 GLY A1103
GLY A1101
ILE A1204
GLY A1106
LEU A1189
 None
 1.16A 4n48B-5fguA:
undetectable		 4n48B-5fguA:
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.
5fgw EXTRACELLULAR
STREPTODORNASE D

(Streptococcus
pyogenes) 		PF01223
(Endonuclease_NS) 		5 GLY A 103
GLY A 101
ILE A 204
GLY A 106
LEU A 189
 None
 1.16A 4n48B-5fgwA:
undetectable		 4n48B-5fgwA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 ALA A 136
GLY A  44
GLY A  73
ASN A  46
ILE A 247
 LPA  A 401 ( 3.8A)
None
LPA  A 401 (-3.7A)
None
None
 1.04A 4n48B-5ij6A:
undetectable		 4n48B-5ij6A:
23.02
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.
5kss 5'-NUCLEOTIDASE SURE

(Xylella
fastidiosa) 		PF01975
(SurE) 		5 GLY A 105
THR A  69
THR A  77
GLY A 113
LEU A 116
 CL  A 504 ( 4.9A)
None
None
None
None
 1.15A 4n48B-5kssA:
undetectable		 4n48B-5kssA:
19.72
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 ALA L 415
GLY L 311
THR L 316
LEU L 324
ILE L 319
 None
 1.06A 4n48B-5lnkL:
undetectable		 4n48B-5lnkL:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		5 GLY A  90
GLY A  87
PHE A 118
LEU A 220
ILE A  82
 None
FAD  A 700 (-3.5A)
None
None
None
 0.82A 4n48B-5mq6A:
undetectable		 4n48B-5mq6A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 GLY A 355
GLY A 377
ILE A 313
THR A 312
GLY A 337
 None
 1.18A 4n48B-5n8pA:
undetectable		 4n48B-5n8pA:
14.46
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 GLY A 355
GLY A 377
ILE A 313
THR A 312
GLY A 337
 None
 1.17A 4n48B-5n97A:
undetectable		 4n48B-5n97A:
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 GLY A 438
GLY A 421
ASN A 437
ILE A 442
THR A 448
 None
None
NAG  A1129 (-1.9A)
None
None
 1.09A 4n48B-5nbsA:
2.7		 4n48B-5nbsA:
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.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		5 GLY A 276
GLY A 279
ILE A  13
THR A  32
GLY A  64
 None
 1.05A 4n48B-5nckA:
undetectable		 4n48B-5nckA:
21.06
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.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 ALA A  73
GLY A  69
PHE A  70
THR A  41
LEU A 114
 None
None
LB2  A 502 (-3.7A)
None
None
 0.98A 4n48B-5u6sA:
2.9		 4n48B-5u6sA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 CYH A 401
LEU A 405
ILE A 387
GLY A 398
LEU A 451
 None
 0.81A 4n48B-5uj6A:
undetectable		 4n48B-5uj6A:
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 142
GLY A 307
ILE A 295
THR A 289
LEU A 282
 None
 0.92A 4n48B-5vdnA:
undetectable		 4n48B-5vdnA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 ALA B  97
GLY B 109
ILE B 135
THR B 166
GLY B 144
 None
None
None
None
GDP  B 501 (-4.6A)
 1.02A 4n48B-5w3jB:
4.1		 4n48B-5w3jB:
22.59
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.
5xfh SALT STRESS-INDUCED
PROTEIN

(Oryza sativa) 		no annotation 5 GLY A 140
GLY A   7
ILE A  75
GLY A 127
LEU A  26
 None
 1.01A 4n48B-5xfhA:
undetectable		 4n48B-5xfhA:
15.65
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 CYH A 294
GLY A 292
GLY A 238
GLY A 308
LEU A 315
 None
 1.21A 4n48B-5xgsA:
undetectable		 4n48B-5xgsA:
23.65
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.
6b4h NUCLEOPORIN GLE1

(Chaetomium
thermophilum) 		no annotation 5 ALA A 344
GLY A 421
GLY A 419
LEU A 469
LEU A 516
 None
 1.20A 4n48B-6b4hA:
undetectable		 4n48B-6b4hA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 ALA H 343
GLY H 325
GLY H 327
ILE H 219
LEU H 223
 None
 0.89A 4n48B-6cfwH:
undetectable		 4n48B-6cfwH:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 247
GLY A 229
THR A 250
GLY A 244
LEU A 489
 None
FAD  A 601 ( 4.0A)
None
None
None
 1.03A 4n48B-6f74A:
undetectable		 4n48B-6f74A:
undetectable