SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_D_W9TD506

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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 ASP A 179
GLU A 101
GLY A  99
TYR A  97
 None
 1.47A 3w9tD-1aorA:
0.0		 3w9tD-1aorA:
21.41
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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU B 271
GLY B 268
TYR B 262
GLN B 264
 None
 1.33A 3w9tD-1bplB:
undetectable		 3w9tD-1bplB:
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.
1d5t GUANINE NUCLEOTIDE
DISSOCIATION
INHIBITOR

(Bos taurus) 		PF00996
(GDI) 		4 ASP A 283
GLU A  42
GLY A  41
TYR A 286
 None
 1.18A 3w9tD-1d5tA:
0.0		 3w9tD-1d5tA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU A 271
GLY A 268
TYR A 262
GLN A 264
 None
 1.46A 3w9tD-1e43A:
0.0		 3w9tD-1e43A:
21.48
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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ASP A 275
GLU A 340
GLY A 278
GLN A  10
 None
 1.24A 3w9tD-1hc7A:
0.0		 3w9tD-1hc7A:
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.
1i35 PROTEIN KINASE BYR2

(Schizosaccharomyces
pombe) 		PF14847
(Ras_bdg_2) 		4 ASP A  20
GLU A  57
TYR A  21
GLN A  22
 None
 1.17A 3w9tD-1i35A:
undetectable		 3w9tD-1i35A:
12.35
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 GLU S 178
GLY S 177
TYR S 586
GLN S 490
 None
 1.26A 3w9tD-1i84S:
0.0		 3w9tD-1i84S:
14.38
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.
1i9s MRNA CAPPING ENZYME

(Mus musculus) 		PF00782
(DSPc) 		4 ASP A 168
GLU A  96
GLY A  95
TYR A 169
 None
 0.99A 3w9tD-1i9sA:
0.0		 3w9tD-1i9sA:
17.39
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.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 GLU A  55
GLY A  54
TYR A  52
GLN A  34
 None
 1.27A 3w9tD-1jdzA:
0.0		 3w9tD-1jdzA:
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		4 GLU A 116
GLY A 113
TYR A 115
GLN A 194
 None
 1.40A 3w9tD-1ks5A:
undetectable		 3w9tD-1ks5A:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 ASP A 121
GLU A 123
GLY A 124
TYR A 134
GLN A 137
 CA  A1002 (-2.8A)
None
CA  A1002 (-4.3A)
None
CA  A1002 ( 4.5A)
 0.62A 3w9tD-1vclA:
32.6		 3w9tD-1vclA:
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU A 271
GLY A 268
TYR A 262
GLN A 264
 None
 1.25A 3w9tD-1vjsA:
undetectable		 3w9tD-1vjsA:
21.39
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.
2aw2 B AND T LYMPHOCYTE
ATTENUATOR
TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
14

(Homo sapiens) 		PF00020
(TNFR_c6)
PF13927
(Ig_3) 		4 GLU B  31
GLY B  30
TYR A  39
GLN A  37
 None
 1.30A 3w9tD-2aw2B:
undetectable		 3w9tD-2aw2B:
13.27
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 GLU A 230
GLY A 228
TYR A 225
GLN A 220
 None
 0.97A 3w9tD-2c3oA:
undetectable		 3w9tD-2c3oA:
16.19
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.
2cuw PURS

(Thermus
thermophilus) 		PF02700
(PurS) 		4 ASP A  18
GLU A  11
GLY A  41
GLN A  20
 None
 1.36A 3w9tD-2cuwA:
undetectable		 3w9tD-2cuwA:
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.
2d7n FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 ASP A  42
GLU A  23
GLY A  22
GLN A  20
 None
 1.45A 3w9tD-2d7nA:
undetectable		 3w9tD-2d7nA:
12.63
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 ASP A 358
GLY A 237
TYR A 357
GLN A 103
 None
 1.21A 3w9tD-2jb1A:
undetectable		 3w9tD-2jb1A:
20.70
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 ASP A 160
GLU A 496
TYR A 157
GLN A 207
 VDM  A1548 (-3.0A)
None
VDM  A1548 (-3.7A)
VDM  A1548 (-3.3A)
 1.10A 3w9tD-2jf4A:
undetectable		 3w9tD-2jf4A:
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.
2nrk HYPOTHETICAL PROTEIN
GRPB

(Enterococcus
faecalis) 		PF04229
(GrpB) 		4 ASP A  64
GLU A  80
GLY A  79
GLN A  67
 None
 1.28A 3w9tD-2nrkA:
undetectable		 3w9tD-2nrkA:
18.06
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  43
GLU A  64
GLY A  62
GLN A  46
 None
 1.18A 3w9tD-2obyA:
undetectable		 3w9tD-2obyA:
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.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		4 GLU A  28
GLY A  26
TYR A 278
GLN A 277
 None
 1.16A 3w9tD-2oqcA:
undetectable		 3w9tD-2oqcA:
20.76
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		4 GLU A  46
GLY A  47
TYR A  44
GLN A 114
 None
 1.46A 3w9tD-2pblA:
undetectable		 3w9tD-2pblA:
18.66
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.
2qx2 SEX PHEROMONE
STAPH-CAM373

(Staphylococcus
aureus) 		PF07537
(CamS) 		4 GLU A  83
GLY A  79
TYR A 248
GLN A 250
 EDO  A   1 ( 4.0A)
EDO  A   1 (-4.2A)
None
None
 1.20A 3w9tD-2qx2A:
undetectable		 3w9tD-2qx2A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r55 STAR-RELATED LIPID
TRANSFER PROTEIN 5

(Homo sapiens) 		PF01852
(START) 		4 GLU A  32
GLY A  35
TYR A 201
GLN A 205
 None
 1.09A 3w9tD-2r55A:
undetectable		 3w9tD-2r55A:
17.86
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLU A 220
GLY A 217
TYR A 218
GLN A 273
 None
 1.35A 3w9tD-2z1aA:
undetectable		 3w9tD-2z1aA:
22.13
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.
3a18 ALDOXIME DEHYDRATASE

(Rhodococcus
erythropolis) 		PF13816
(Dehydratase_hem) 		4 ASP A  86
GLY A 340
TYR A  90
GLN A  49
 None
 1.05A 3w9tD-3a18A:
undetectable		 3w9tD-3a18A:
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A 273
GLU A 285
GLY A 284
TYR A 275
 None
 1.30A 3w9tD-3e60A:
undetectable		 3w9tD-3e60A:
21.68
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		4 ASP A  14
GLU A  22
GLY A  19
TYR A  21
 None
 1.39A 3w9tD-3fbqA:
undetectable		 3w9tD-3fbqA:
18.63
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.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		4 ASP A 314
GLY A 169
TYR A 203
GLN A 388
 None
EDO  A 411 (-3.8A)
LLP  A 226 ( 3.5A)
EDO  A 411 (-3.5A)
 1.06A 3w9tD-3fd0A:
undetectable		 3w9tD-3fd0A:
19.74
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLU A 239
GLY A 238
TYR A 293
GLN A 296
 None
 1.44A 3w9tD-3h4hA:
undetectable		 3w9tD-3h4hA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 GLU P 179
GLY P 182
TYR P 242
GLN P 184
 None
 1.44A 3w9tD-3hbuP:
undetectable		 3w9tD-3hbuP:
22.55
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		4 ASP A 321
GLY A 176
TYR A 210
GLN A 395
 None
 1.00A 3w9tD-3ht4A:
undetectable		 3w9tD-3ht4A:
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.
3m50 N.PLUMBAGINIFOLIA
H+-TRANSLOCATING
ATPASE MRNA

(Nicotiana
plumbaginifolia) 		no annotation 4 GLU P 928
GLY P 934
TYR P 954
GLN P 952
 None
 1.40A 3w9tD-3m50P:
undetectable		 3w9tD-3m50P:
5.60
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.
3o0t SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		4 ASP A 200
GLU A 177
TYR A 197
GLN A 196
 None
PO4  A   1 (-3.4A)
None
None
 1.03A 3w9tD-3o0tA:
undetectable		 3w9tD-3o0tA:
17.39
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.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		4 ASP A 304
GLU A 275
GLY A 273
GLN A 262
 None
 1.42A 3w9tD-3pdfA:
undetectable		 3w9tD-3pdfA:
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.
3t2c FRUCTOSE-1,6-BISPHOS
PHATE
ALDOLASE/PHOSPHATASE

(Pyrobaculum
neutrophilum) 		PF01950
(FBPase_3) 		4 ASP A  44
GLU A 315
TYR A 313
GLN A  37
 None
 1.49A 3w9tD-3t2cA:
undetectable		 3w9tD-3t2cA:
21.44
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.
3tc2 KUNITZ-TYPE
PROTEINASE INHIBITOR
P1H5

(Solanum
tuberosum) 		PF00197
(Kunitz_legume) 		4 ASP A  10
GLU A  15
TYR A  22
GLN A 185
 None
 1.35A 3w9tD-3tc2A:
5.4		 3w9tD-3tc2A:
17.93
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.
3tef IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		4 ASP A 233
GLU A 164
GLY A 161
TYR A 162
 None
 1.16A 3w9tD-3tefA:
undetectable		 3w9tD-3tefA:
19.64
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.
3trb VIRULENCE-ASSOCIATED
PROTEIN I

(Coxiella
burnetii) 		PF01381
(HTH_3) 		4 GLU A  13
GLY A  12
TYR A  77
GLN A  74
 None
 1.19A 3w9tD-3trbA:
undetectable		 3w9tD-3trbA:
12.98
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		4 GLU A 728
GLY A 564
TYR A 580
GLN A 578
 None
 1.46A 3w9tD-3ua4A:
undetectable		 3w9tD-3ua4A:
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 GLU A  39
GLY A  42
TYR A  44
GLN A  94
 None
 1.00A 3w9tD-3wn6A:
undetectable		 3w9tD-3wn6A:
23.87
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.
4a1s PARTNER OF
INSCUTEABLE

(Drosophila
melanogaster) 		PF13176
(TPR_7)
PF13424
(TPR_12) 		4 GLU A 337
GLY A 336
TYR A 302
GLN A 299
 None
 1.47A 3w9tD-4a1sA:
undetectable		 3w9tD-4a1sA:
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.
4ad8 DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		4 GLU A 339
GLY A 341
TYR A 330
GLN A 209
 None
 1.49A 3w9tD-4ad8A:
undetectable		 3w9tD-4ad8A:
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1477
GLU A1482
GLY A1479
TYR A1556
 None
 1.19A 3w9tD-4amcA:
undetectable		 3w9tD-4amcA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 GLU A 112
GLY A 113
TYR A 110
GLN A 528
 None
 1.37A 3w9tD-4aysA:
undetectable		 3w9tD-4aysA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuw PROTEIN SLM4

(Saccharomyces
cerevisiae) 		PF16818
(SLM4) 		4 ASP A 117
GLU A 155
GLY A 153
TYR A 150
 None
 1.27A 3w9tD-4fuwA:
undetectable		 3w9tD-4fuwA:
15.31
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 ASP A 280
GLU A 282
GLY A 239
TYR A 308
 None
MRD  A 501 (-2.7A)
None
None
 1.42A 3w9tD-4qfuA:
undetectable		 3w9tD-4qfuA:
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A 263
GLU A 273
GLY A 272
TYR A 265
 None
 1.23A 3w9tD-4xoxA:
undetectable		 3w9tD-4xoxA:
23.92
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 4 GLU A  38
GLY A  34
TYR A  30
GLN A  11
 None
 1.38A 3w9tD-4yteA:
undetectable		 3w9tD-4yteA:
16.74
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		4 GLU A 295
GLY A 293
TYR A 300
GLN A 289
 None
 1.00A 3w9tD-4zn2A:
undetectable		 3w9tD-4zn2A:
23.25
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 GLU A 381
GLY A 361
TYR A 364
GLN A 339
 None
 0.89A 3w9tD-5c2vA:
undetectable		 3w9tD-5c2vA:
20.64
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.
5cgl ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE NMFIC

(Neisseria
meningitidis) 		PF02661
(Fic) 		4 ASP A  15
GLU A 186
GLY A 187
TYR A 188
 None
PEG  A 201 (-3.9A)
None
None
 1.50A 3w9tD-5cglA:
undetectable		 3w9tD-5cglA:
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.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		4 GLU A 494
GLY A 495
TYR A 496
GLN A 416
 None
 1.41A 3w9tD-5dqfA:
undetectable		 3w9tD-5dqfA:
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		4 ASP A 142
GLU A 138
GLY A 137
GLN A 172
 None
 1.40A 3w9tD-5dtrA:
undetectable		 3w9tD-5dtrA:
21.68
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		4 GLU A 118
GLY A 115
TYR A 117
GLN A 192
 None
 1.44A 3w9tD-5gm3A:
undetectable		 3w9tD-5gm3A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 GLU A 697
GLY A 700
TYR A 699
GLN A 642
 None
 1.42A 3w9tD-5gw7A:
undetectable		 3w9tD-5gw7A:
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.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  54
GLU A  74
GLY A  72
TYR A  53
 None
ZN  A 901 (-2.9A)
None
None
 1.29A 3w9tD-5h83A:
undetectable		 3w9tD-5h83A:
19.59
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		4 GLU A 832
GLY A 833
TYR A 831
GLN A 839
 None
 1.48A 3w9tD-5hp6A:
undetectable		 3w9tD-5hp6A:
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.
5htp PROBABLE SUGAR
KINASE

(Synechococcus
elongatus) 		PF02782
(FGGY_C) 		4 GLU A 236
GLY A 235
TYR A 357
GLN A 361
 None
 1.35A 3w9tD-5htpA:
undetectable		 3w9tD-5htpA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 161
GLY A 192
TYR A 194
GLN A 157
 None
 1.20A 3w9tD-5i3oA:
undetectable		 3w9tD-5i3oA:
18.41
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.
5v5s OUTER MEMBRANE
PROTEIN TOLC

(Escherichia
coli) 		PF02321
(OEP) 		4 ASP A 101
GLU A  16
TYR A  98
GLN A  94
 None
 1.30A 3w9tD-5v5sA:
undetectable		 3w9tD-5v5sA:
24.19
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 ASP A1886
GLU A1889
GLY A1888
GLN A1808
 None
 1.37A 3w9tD-5y29A:
undetectable		 3w9tD-5y29A:
12.46
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.
5yy3 -

(-) 		no annotation 4 ASP A 171
GLU A 533
GLY A 532
TYR A 170
 None
 1.40A 3w9tD-5yy3A:
undetectable		 3w9tD-5yy3A:
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.
6cv9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Mus musculus) 		no annotation 4 ASP A 203
GLU A 210
GLY A 212
TYR A 206
 None
 1.06A 3w9tD-6cv9A:
undetectable		 3w9tD-6cv9A:
10.62
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU A1084
GLY A1086
TYR A 900
GLN A 899
 None
 1.02A 3w9tD-6f42A:
undetectable		 3w9tD-6f42A:
11.78
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.
6fai ESSENTIAL NUCLEAR
PROTEIN 1
PROTEIN LTV1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU j 369
GLY j 367
TYR j 371
GLN i 276
 None
 1.50A 3w9tD-6faij:
undetectable		 3w9tD-6faij:
10.19