SIMILAR PATTERNS OF AMINO ACIDS FOR 3KKZ_B_SAMB302_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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		5 ARG A 386
GLY A  36
LEU A 337
SER A 332
ALA A 390
 PPE  A 411 ( 2.7A)
None
None
None
None
 1.08A 3kkzB-1akcA:
2.9		 3kkzB-1akcA:
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.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 ARG A 252
GLY A 312
GLY A 307
GLY A 256
ALA A 309
 None
 0.98A 3kkzB-1dmwA:
undetectable		 3kkzB-1dmwA:
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 GLY A 587
GLY A 585
PHE A 607
GLU A 582
ALA A 603
 None
 0.86A 3kkzB-1mhsA:
undetectable		 3kkzB-1mhsA:
14.77
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  79
GLY A  81
GLN A  86
PHE A 102
LEU A 103
 SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
SAH  A2002 ( 4.2A)
SAH  A2002 (-4.4A)
SAH  A2002 (-3.9A)
 0.62A 3kkzB-1n7jA:
14.0		 3kkzB-1n7jA:
19.40
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 GLY A  86
GLY A 522
LEU A 520
GLU A 529
ALA A 527
 None
 0.87A 3kkzB-1ndfA:
undetectable		 3kkzB-1ndfA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ARG A 993
GLY A 951
GLY A1336
GLY A1367
SER A1312
 None
 1.00A 3kkzB-1ofeA:
undetectable		 3kkzB-1ofeA:
10.45
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 GLY K  35
GLY K 212
SER K 198
GLU K  32
ALA K 208
 None
 0.81A 3kkzB-1oxxK:
undetectable		 3kkzB-1oxxK:
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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		5 GLY A 130
GLY A 103
PHE A  77
LEU A  83
SER A  76
 None
 1.05A 3kkzB-1oznA:
undetectable		 3kkzB-1oznA:
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		5 ARG A 252
GLY A 312
GLY A 307
GLY A 256
ALA A 309
 None
 0.98A 3kkzB-1phzA:
undetectable		 3kkzB-1phzA:
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		6 GLY A  38
GLY A  69
GLY A  66
SER A 134
GLU A 102
ALA A  71
 None
 1.39A 3kkzB-1pweA:
2.5		 3kkzB-1pweA:
20.88
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 GLY A  14
GLY A 464
PHE A 486
LEU A 489
SER A 508
 None
 1.04A 3kkzB-1sqjA:
undetectable		 3kkzB-1sqjA:
14.56
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 ARG A  64
GLN A 166
GLY A 167
GLY A  65
ALA A  23
 None
 0.97A 3kkzB-1tdjA:
2.6		 3kkzB-1tdjA:
19.27
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 GLY A  72
GLY A 165
GLY A  65
LEU A  63
ALA A  23
 None
 0.92A 3kkzB-1tdjA:
2.6		 3kkzB-1tdjA:
19.27
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.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 GLN A  78
GLY A 140
GLY A 142
ALA A  62
ASN A  65
 GLU  A1313 (-3.7A)
None
GLU  A1313 (-3.5A)
None
None
 1.07A 3kkzB-1us4A:
undetectable		 3kkzB-1us4A:
20.12
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 323
GLY A 319
LEU A 317
SER A 243
ALA A 149
 None
NAP  A1350 (-3.6A)
None
NAP  A1350 (-4.8A)
NAP  A1350 ( 4.0A)
 1.05A 3kkzB-1v3tA:
6.5		 3kkzB-1v3tA:
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.
1whw HYPOTHETICAL PROTEIN
RIKEN CDNA
1200009A02

(Mus musculus) 		PF00076
(RRM_1) 		5 GLY A  62
GLY A  38
SER A 114
GLU A  90
ALA A  92
 None
 0.93A 3kkzB-1whwA:
undetectable		 3kkzB-1whwA:
14.98
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.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		5 ARG A 124
GLY A 121
GLY A  61
SER A  50
ALA A  64
 None
 0.93A 3kkzB-1wmwA:
undetectable		 3kkzB-1wmwA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 GLY A 161
GLY A 321
LEU A 319
ALA A 130
ASN A  43
 SO4  A 329 (-3.3A)
None
None
SO4  A 329 ( 4.2A)
SO4  A 329 (-4.7A)
 0.95A 3kkzB-1xa0A:
6.8		 3kkzB-1xa0A:
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.
1xc3 PUTATIVE
FRUCTOKINASE

(Bacillus
subtilis) 		PF00480
(ROK) 		5 GLY A  17
GLY A  54
GLY A   4
SER A 101
ALA A 284
 None
 1.05A 3kkzB-1xc3A:
undetectable		 3kkzB-1xc3A:
21.73
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 GLY A 113
GLY A 363
GLY A 120
LEU A 125
ALA A 347
 ATP  A 801 (-3.2A)
None
None
None
None
 1.09A 3kkzB-1y56A:
2.8		 3kkzB-1y56A:
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.
1zhg BETA
HYDROXYACYL-ACYL
CARRIER PROTEIN
DEHYDRATASE

(Plasmodium
falciparum) 		PF07977
(FabA) 		5 GLY A 119
GLY A 209
GLY A 211
ALA A 193
ASN A 194
 None
 0.97A 3kkzB-1zhgA:
undetectable		 3kkzB-1zhgA:
15.73
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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
GLN A  70
PHE A  86
ALA A 165
 SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 ( 4.4A)
SAH  A4001 (-4.6A)
SAH  A4001 (-3.4A)
 0.68A 3kkzB-2a14A:
14.4		 3kkzB-2a14A:
24.91
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.
2a8i THREONINE ASPARTASE
1

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 GLN A 265
GLY A 264
GLY A 270
GLY A 272
LEU A 302
 None
 1.08A 3kkzB-2a8iA:
undetectable		 3kkzB-2a8iA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c5q RRAA-LIKE PROTEIN
YER010C

(Saccharomyces
cerevisiae) 		PF03737
(RraA-like) 		5 GLY A  29
GLY A 177
GLY A 181
SER A  43
ALA A 176
 EDO  A1234 ( 3.7A)
None
None
None
None
 1.06A 3kkzB-2c5qA:
undetectable		 3kkzB-2c5qA:
27.08
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
 None
 1.07A 3kkzB-2g28A:
undetectable		 3kkzB-2g28A:
14.59
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.
2h26 T-CELL SURFACE
GLYCOPROTEIN CD1B

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 ARG A 168
GLY A  56
GLY A 172
LEU A 174
GLU A  62
 NAG  A 908 (-3.9A)
None
NAG  A 908 ( 3.9A)
None
None
 1.00A 3kkzB-2h26A:
undetectable		 3kkzB-2h26A:
20.66
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 GLY A 442
GLY A 439
SER A 169
GLU A 111
ASN A 131
 PRI  A1566 (-3.2A)
None
None
PRI  A1566 (-3.4A)
None
 1.01A 3kkzB-2j3mA:
undetectable		 3kkzB-2j3mA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ml2 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 5 GLY A  24
GLY A  56
GLY A  38
LEU A  36
GLU A  58
 CA  A 202 ( 4.8A)
CA  A 204 (-4.4A)
CA  A 202 (-3.9A)
None
None
 1.02A 3kkzB-2ml2A:
undetectable		 3kkzB-2ml2A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 257
GLY A 396
GLY A 394
SER A 399
ALA A 294
 None
 1.07A 3kkzB-2nlxA:
undetectable		 3kkzB-2nlxA:
19.06
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 GLY A 263
GLY A  53
LEU A 258
SER A  57
GLU A 118
 None
None
None
SAM  A 300 (-2.6A)
None
 1.00A 3kkzB-2oxtA:
9.0		 3kkzB-2oxtA:
18.92
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.
2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ARG A  21
GLY A  48
SER A  85
GLU A 179
ALA A 134
 None
None
None
None
UDP  A 250 (-4.1A)
 1.10A 3kkzB-2pnzA:
undetectable		 3kkzB-2pnzA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5p CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Homo sapiens) 		PF00040
(fn2)
PF00878
(CIMR) 		5 GLY A1564
GLY A1534
GLY A1537
SER A1531
GLU A1555
 None
 1.10A 3kkzB-2v5pA:
undetectable		 3kkzB-2v5pA:
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLN A 322
GLY A 325
GLY A 286
PHE A 265
LEU A 284
 None
 1.09A 3kkzB-2vosA:
undetectable		 3kkzB-2vosA:
18.46
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.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		6 GLY A2341
GLY A2467
LEU A2469
SER A2386
ALA A2371
ASN A2484
 None
 1.28A 3kkzB-2wjsA:
undetectable		 3kkzB-2wjsA:
19.24
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 GLN A 701
GLY A 495
PHE A 711
GLU A 833
ASN A 860
 None
SO4  A 990 ( 4.9A)
None
None
None
 0.99A 3kkzB-2wjvA:
2.5		 3kkzB-2wjvA:
14.53
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 140
GLY A 233
GLY A 133
LEU A 131
GLU A 144
 None
 0.93A 3kkzB-2wtzA:
2.5		 3kkzB-2wtzA:
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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 323
GLY A 319
LEU A 317
SER A 243
ALA A 149
 None
NAP  A 701 (-3.4A)
None
NAP  A 701 (-4.9A)
NAP  A 701 ( 3.9A)
 1.03A 3kkzB-2y05A:
6.5		 3kkzB-2y05A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ARG A 323
GLY A 324
GLY A 222
GLU A 217
ALA A 221
 SO4  A 801 (-3.7A)
None
None
None
None
 1.03A 3kkzB-2yheA:
undetectable		 3kkzB-2yheA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 GLY A 229
GLY A 247
GLY A 191
LEU A 202
ALA A 246
 None
 1.08A 3kkzB-3bilA:
3.5		 3kkzB-3bilA:
24.30
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 GLY A 232
GLY A 247
GLY A 191
LEU A 202
ALA A 246
 None
 1.09A 3kkzB-3bilA:
3.5		 3kkzB-3bilA:
24.30
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLN A 145
GLY A 146
GLY A 516
GLY A 514
ALA A 519
 None
 1.08A 3kkzB-3e9yA:
undetectable		 3kkzB-3e9yA:
17.97
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.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLN A 858
GLY A 805
GLY A 857
GLU A 921
ALA A 952
 None
 1.07A 3kkzB-3eh1A:
undetectable		 3kkzB-3eh1A:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 ARG A  25
GLY A  27
GLY A  56
GLN A  60
PHE A  78
GLU A 121
 None
 1.44A 3kkzB-3f4kA:
36.3		 3kkzB-3f4kA:
63.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 GLN A  26
GLY A  27
GLY A  54
GLN A  60
GLU A 121
ASN A 126
 None
 1.15A 3kkzB-3f4kA:
36.3		 3kkzB-3f4kA:
63.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 GLN A  26
GLY A  27
GLY A  54
GLY A  56
GLN A  60
GLU A 121
 None
 0.42A 3kkzB-3f4kA:
36.3		 3kkzB-3f4kA:
63.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 GLN A  26
GLY A  54
GLY A  56
GLN A  60
SER A 104
GLU A 121
 None
 0.80A 3kkzB-3f4kA:
36.3		 3kkzB-3f4kA:
63.18
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 212
GLY A 180
GLY A 183
LEU A 241
SER A 244
 None
NAD  A 500 ( 4.9A)
None
None
NAD  A 500 (-4.0A)
 1.08A 3kkzB-3gfbA:
5.9		 3kkzB-3gfbA:
21.92
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 GLY A 378
SER A 195
GLU A 159
ALA A 375
ASN A 204
 None
 1.08A 3kkzB-3j0hA:
undetectable		 3kkzB-3j0hA:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		12 ARG A  25
GLN A  26
GLY A  27
GLY A  54
GLY A  56
GLN A  60
PHE A  77
LEU A  78
SER A 104
GLU A 121
ALA A 123
ASN A 126
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.4A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
None
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.1A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.0A)
 0.28A 3kkzB-3kkzA:
43.7		 3kkzB-3kkzA:
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.
3l9r CD1B3

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 ARG A 168
GLY A  56
GLY A 172
LEU A 174
GLU A  62
 NAG  A 501 ( 4.5A)
None
NAG  A 501 ( 4.1A)
None
NAG  A 501 ( 4.5A)
 0.92A 3kkzB-3l9rA:
undetectable		 3kkzB-3l9rA:
24.78
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 379
GLY A   9
SER A  14
ALA A 365
ASN A 383
 UNX  A 423 ( 3.9A)
None
None
None
None
 1.08A 3kkzB-3lp8A:
3.0		 3kkzB-3lp8A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 GLY A 122
GLY A 125
GLN A  11
ALA A 115
ASN A  53
 CA  A   1 ( 4.3A)
None
None
None
None
 0.96A 3kkzB-3lpdA:
undetectable		 3kkzB-3lpdA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 GLY A 182
GLY A 164
GLU A 192
ALA A 198
ASN A 199
 None
 0.90A 3kkzB-3mc1A:
undetectable		 3kkzB-3mc1A:
22.45
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.
3ndy ENDOGLUCANASE D
ENDOGLUCANASE D

(Clostridium
cellulovorans;
Clostridium
cellulovorans) 		PF00150
(Cellulase)
PF00553
(CBM_2) 		5 GLN A  16
GLY A 268
GLY E 450
GLY E 447
SER E 460
 None
 1.01A 3kkzB-3ndyA:
undetectable		 3kkzB-3ndyA:
20.83
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 117
GLY A  29
LEU A 312
SER A 306
ALA A  27
 ATP  A 763 ( 4.5A)
None
None
None
None
 1.03A 3kkzB-3o8lA:
undetectable		 3kkzB-3o8lA:
15.54
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.
3pi7 NADH OXIDOREDUCTASE

(Mesorhizobium
loti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  86
GLY A 117
GLY A  83
LEU A  13
ALA A 123
 None
GOL  A 349 (-3.3A)
GOL  A 349 (-4.0A)
None
None
 0.89A 3kkzB-3pi7A:
3.6		 3kkzB-3pi7A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 142
GLY A 148
GLY A 105
PHE A 100
ALA A 137
 None
 1.03A 3kkzB-3qlbA:
undetectable		 3kkzB-3qlbA:
15.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		10 ARG A  25
GLY A  27
GLY A  54
GLY A  56
GLN A  60
PHE A  77
SER A 104
GLU A 121
ALA A 123
ASN A 126
 SAM  A 300 (-4.0A)
SAM  A 300 (-4.1A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.4A)
SAM  A 300 (-4.7A)
SAM  A 300 (-2.8A)
None
SAM  A 300 (-3.6A)
SAM  A 300 (-3.1A)
 0.28A 3kkzB-3t7sA:
40.1		 3kkzB-3t7sA:
69.03
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 GLY A 122
GLY A 125
GLN A  11
ALA A 115
ASN A  53
 CA  A 353 ( 4.3A)
None
None
None
None
 0.97A 3kkzB-3ti7A:
undetectable		 3kkzB-3ti7A:
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 GLN A  38
GLY A  52
PHE A  55
LEU A  48
ALA A  35
 None
 0.87A 3kkzB-3u7vA:
undetectable		 3kkzB-3u7vA:
18.02
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		5 ARG A 180
GLY A 181
GLY A 300
GLU A 113
ASN A 118
 None
 1.05A 3kkzB-3vocA:
undetectable		 3kkzB-3vocA:
20.67
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.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 GLN A  80
GLY A  81
GLY A  29
GLY A  38
LEU A  40
 None
 1.01A 3kkzB-3w15A:
undetectable		 3kkzB-3w15A:
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 GLY A 323
GLY A 283
GLY A 288
LEU A 253
ALA A 292
 None
LLP  A 285 ( 4.4A)
LLP  A 285 ( 3.4A)
None
None
 1.10A 3kkzB-3w1jA:
3.0		 3kkzB-3w1jA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		5 GLY A 122
GLY A 151
GLY A 128
LEU A 126
ALA A 174
 None
NAG  A 602 (-4.0A)
None
None
None
 0.99A 3kkzB-3wmtA:
2.1		 3kkzB-3wmtA:
19.35
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.
4b2q ATP SYNTHASE SUBUNIT
BETA, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLY D  88
GLY D 236
PHE D 184
LEU D 217
ALA D 240
 None
 1.07A 3kkzB-4b2qD:
undetectable		 3kkzB-4b2qD:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLN A 400
GLY A 401
SER A 392
GLU A 407
ALA A 488
 None
 1.10A 3kkzB-4bc7A:
undetectable		 3kkzB-4bc7A:
16.24
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ARG A1095
GLY A1031
GLN A1060
SER A1021
GLU A1063
 None
 0.93A 3kkzB-4bkwA:
undetectable		 3kkzB-4bkwA:
20.34
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 GLY I 446
GLY I 407
GLY I 411
GLU I 404
ALA I 402
 None
 1.05A 3kkzB-4c1nI:
undetectable		 3kkzB-4c1nI:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dad PUTATIVE PILUS
ASSEMBLY-RELATED
PROTEIN

(Burkholderia
pseudomallei) 		PF00072
(Response_reg) 		5 ARG A  26
GLN A  -1
GLY A   0
GLY A  22
GLY A  25
 None
 0.90A 3kkzB-4dadA:
4.0		 3kkzB-4dadA:
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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A  94
GLY A 119
GLY A  59
LEU A  57
ALA A 360
 None
 0.96A 3kkzB-4dd5A:
undetectable		 3kkzB-4dd5A:
21.30
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		6 GLY A 312
GLY A 253
GLY A 255
SER A 223
ALA A 282
ASN A 281
 None
None
None
1PE  A 500 ( 4.6A)
None
None
 1.43A 3kkzB-4dn7A:
undetectable		 3kkzB-4dn7A:
22.60
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		5 GLY A 346
GLY A 369
PHE A 374
LEU A 375
ALA A 367
 None
 1.09A 3kkzB-4ehjA:
3.6		 3kkzB-4ehjA:
23.76
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.
4ewc PUTATIVE
NUCLEOPROTEIN

(Salmon isavirus) 		no annotation 5 GLN A 266
GLY A 271
GLY A 290
LEU A 262
ALA A 104
 None
 1.07A 3kkzB-4ewcA:
undetectable		 3kkzB-4ewcA:
18.91
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		5 GLN B 246
GLY B  88
GLY B 220
LEU B 212
ALA B  91
 None
LLP  B 210 ( 3.3A)
None
None
None
 0.98A 3kkzB-4iyoB:
2.4		 3kkzB-4iyoB:
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 171
GLY A 229
GLY A 231
SER A  18
GLU A 201
 None
 0.99A 3kkzB-4jn6A:
undetectable		 3kkzB-4jn6A:
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 ARG A  85
GLY A 100
GLY A  89
ALA A 211
ASN A 207
 None
 0.81A 3kkzB-4kvlA:
undetectable		 3kkzB-4kvlA:
16.80
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.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		5 ARG A 138
GLY A 137
GLY A 141
GLY A  92
ALA A 132
 None
 1.05A 3kkzB-4o5fA:
undetectable		 3kkzB-4o5fA:
25.47
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		5 ARG A 374
GLY A  32
LEU A 325
SER A 320
ALA A 378
 NO3  A 402 (-3.1A)
None
None
NO3  A 405 ( 4.7A)
None
 1.04A 3kkzB-4rkcA:
3.1		 3kkzB-4rkcA:
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.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		5 ARG A  89
GLY A  88
GLY A  71
ALA A  79
ASN A  81
 None
 1.10A 3kkzB-4ur2A:
undetectable		 3kkzB-4ur2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		5 ARG A 412
GLY A 446
GLY A 592
LEU A 718
SER A 711
 None
 1.07A 3kkzB-4xjxA:
2.3		 3kkzB-4xjxA:
13.10
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 GLY A 140
GLY A  45
PHE A  72
SER A  69
ALA A 113
 None
SAH  A 301 (-3.6A)
SAH  A 301 (-4.7A)
SAH  A 301 ( 4.9A)
SAH  A 301 ( 3.7A)
 1.09A 3kkzB-5bp7A:
25.7		 3kkzB-5bp7A:
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.
5cdf ATP SYNTHASE SUBUNIT
BETA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLY E  82
GLY E 232
PHE E 178
LEU E 213
ALA E 236
 None
 1.04A 3kkzB-5cdfE:
undetectable		 3kkzB-5cdfE:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A  91
GLY A 264
GLY A 266
ALA A  88
ASN A 336
 None
 0.98A 3kkzB-5dotA:
undetectable		 3kkzB-5dotA:
10.53
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A 139
GLY A  44
PHE A  71
SER A  68
ALA A 112
 None
SAH  A 301 (-3.6A)
SAH  A 301 (-4.7A)
SAH  A 301 (-4.8A)
SAH  A 301 ( 3.7A)
 1.06A 3kkzB-5epeA:
23.6		 3kkzB-5epeA:
25.00
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.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLY D 119
GLY D 267
PHE D 215
LEU D 248
ALA D 271
 None
 1.09A 3kkzB-5fl7D:
undetectable		 3kkzB-5fl7D:
19.69
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.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		6 ARG A 363
GLY A 190
GLY A 368
GLY A 366
PHE A 357
ALA A 360
 None
 1.30A 3kkzB-5gyyA:
undetectable		 3kkzB-5gyyA:
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLY A 972
GLY A 883
LEU A 974
GLU A 886
ALA A 966
 None
 0.78A 3kkzB-5ihrA:
undetectable		 3kkzB-5ihrA:
14.91
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ARG A 647
GLY A 593
LEU A 589
SER A 413
GLU A 403
 None
 0.89A 3kkzB-5ijlA:
undetectable		 3kkzB-5ijlA:
13.18
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 GLY A 284
GLY A 279
GLY A 277
GLU A 336
ALA A 334
 None
 1.00A 3kkzB-5iojA:
undetectable		 3kkzB-5iojA:
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.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE

(Plasmodium
falciparum) 		PF07992
(Pyr_redox_2) 		5 GLY A  49
GLY A 353
GLY A 149
LEU A 311
ALA A 439
 FAD  A 601 (-3.1A)
FAD  A 601 ( 3.3A)
MG  A 602 (-3.2A)
None
FAD  A 601 (-3.6A)
 1.06A 3kkzB-5jwbA:
2.7		 3kkzB-5jwbA:
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.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus;
Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 ARG B 559
GLY A  72
GLY A 179
PHE A 176
ALA A 105
 None
 1.02A 3kkzB-5kenB:
undetectable		 3kkzB-5kenB:
15.04
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		6 ARG A 476
GLY A 432
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.21A 3kkzB-5l9wA:
undetectable		 3kkzB-5l9wA:
17.66
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.
5obt VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 GLY A 222
GLY A 178
LEU A 191
SER A  67
ALA A 218
 None
None
None
SNN  A 176 ( 4.0A)
SNN  A 176 ( 3.7A)
 1.08A 3kkzB-5obtA:
2.7		 3kkzB-5obtA:
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.
5oev GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 22
(GPA-GSS22-APO)

(Globodera
pallida) 		no annotation 5 GLY A 481
GLY A 162
GLY A 160
SER A 192
ASN A 188
 None
 0.95A 3kkzB-5oevA:
undetectable		 3kkzB-5oevA:
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ARG A 560
GLY A 601
GLY A 562
SER A 598
GLU A 298
 None
 1.07A 3kkzB-5ta1A:
undetectable		 3kkzB-5ta1A:
17.50
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 ARG A1125
GLY A1103
GLY A1056
GLY A1092
GLU A1109
 None
 0.85A 3kkzB-5v57A:
undetectable		 3kkzB-5v57A:
17.50
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.
5w2f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D

(Homo sapiens) 		PF01253
(SUI1) 		5 ARG A 568
GLY A 573
GLY A 557
ALA A 577
ASN A 551
 None
FMT  A 601 ( 4.9A)
None
None
FMT  A 603 (-3.8A)
 1.10A 3kkzB-5w2fA:
undetectable		 3kkzB-5w2fA:
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 GLY A 244
GLY A 231
GLY A 236
SER A 340
ALA A 230
 None
9WY  A 501 (-3.3A)
9WY  A 501 ( 4.5A)
RBF  A 502 (-3.1A)
9WY  A 501 (-3.4A)
 1.06A 3kkzB-5w4zA:
undetectable		 3kkzB-5w4zA:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 5 GLY A 261
GLY A 264
GLN A 155
ALA A 254
ASN A 197
 CA  A 801 ( 4.3A)
None
None
None
None
 1.05A 3kkzB-5yl7A:
undetectable		 3kkzB-5yl7A:
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71

(Danio rerio) 		no annotation 5 GLY A 477
GLY A 465
GLY A 502
LEU A 474
ALA A 438
 None
 1.02A 3kkzB-6fq3A:
undetectable		 3kkzB-6fq3A:
undetectable