SIMILAR PATTERNS OF AMINO ACIDS FOR 3JW5_A_TOPA208

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.
1ab6 CHEMOTAXIS PROTEIN
CHEY

(Escherichia
coli) 		PF00072
(Response_reg) 		5 ASN A 121
LEU A 120
LEU A  25
VAL A  21
PHE A 111
 None
 1.24A 3jw5A-1ab6A:
undetectable		 3jw5A-1ab6A:
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		5 MET A 138
LEU A 180
LEU A  80
PHE A 140
THR A 135
 None
 1.30A 3jw5A-1bg6A:
undetectable		 3jw5A-1bg6A:
16.53
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		5 MET A 138
LEU A 180
LEU A  80
VAL A  82
THR A 135
 None
 1.26A 3jw5A-1bg6A:
undetectable		 3jw5A-1bg6A:
16.53
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.
1e50 CORE-BINDING FACTOR
CBF-BETA

(Homo sapiens) 		PF02312
(CBF_beta) 		5 ALA B  99
ASN B  63
LEU B  64
LEU B 125
VAL B 108
 None
 1.28A 3jw5A-1e50B:
undetectable		 3jw5A-1e50B:
20.69
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 MET A 164
LEU A 321
LEU A 366
VAL A 369
ILE A 203
 None
 1.08A 3jw5A-1gjuA:
undetectable		 3jw5A-1gjuA:
14.40
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.
1he9 EXOENZYME S

(Pseudomonas
aeruginosa) 		PF03545
(YopE) 		5 ALA A 120
LEU A 145
LEU A 181
VAL A 213
ILE A 206
 None
 1.25A 3jw5A-1he9A:
undetectable		 3jw5A-1he9A:
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 307
LEU A 419
VAL A 434
PHE A 293
THR A 351
 None
 1.25A 3jw5A-1kclA:
undetectable		 3jw5A-1kclA:
12.08
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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 151
LEU A  30
VAL A  33
ILE A  88
THR A 166
 None
 1.17A 3jw5A-1m66A:
undetectable		 3jw5A-1m66A:
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.
1n7f AMPA RECEPTOR
INTERACTING PROTEIN
GRIP

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ALA A 712
LEU A 748
LEU A 682
ILE A 686
THR A 710
 None
 1.12A 3jw5A-1n7fA:
undetectable		 3jw5A-1n7fA:
18.52
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.
1ni6 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 ALA A 206
LEU A 118
VAL A 121
ILE A  65
THR A 205
 None
 1.32A 3jw5A-1ni6A:
undetectable		 3jw5A-1ni6A:
18.39
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.
1nwa PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Mycobacterium
tuberculosis) 		PF01625
(PMSR) 		5 ALA A 112
LEU A 108
VAL A 124
ILE A  96
PHE A  73
 None
 1.28A 3jw5A-1nwaA:
undetectable		 3jw5A-1nwaA:
20.10
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.
1prs DEVELOPMENT-SPECIFIC
PROTEIN S

(Myxococcus
xanthus) 		PF00030
(Crystall) 		5 ALA A 157
LEU A 140
VAL A 138
ILE A 123
PHE A  95
 None
 1.31A 3jw5A-1prsA:
undetectable		 3jw5A-1prsA:
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.
1w0h 3'-5' EXONUCLEASE
ERI1

(Homo sapiens) 		PF00929
(RNase_T) 		5 ASN A 240
LEU A 239
LEU A 207
VAL A 210
PHE A 253
 None
 1.31A 3jw5A-1w0hA:
undetectable		 3jw5A-1w0hA:
18.52
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 ALA A 261
ASN A 302
ASN A 255
PHE A 247
THR A 243
 None
 1.22A 3jw5A-1w18A:
undetectable		 3jw5A-1w18A:
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A 196
LEU A 141
LEU A 168
VAL A 151
THR A 201
 None
FAD  A1002 (-4.6A)
None
None
None
 1.07A 3jw5A-2e5vA:
undetectable		 3jw5A-2e5vA:
16.31
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.
2eno SYNAPTOJANIN-2-BINDI
NG PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  95
LEU A  30
LEU A 101
VAL A  75
ILE A  34
 None
 0.99A 3jw5A-2enoA:
undetectable		 3jw5A-2enoA:
17.79
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.
2f9h PTS SYSTEM, IIA
COMPONENT

(Enterococcus
faecalis) 		PF03829
(PTSIIA_gutA) 		5 MET A   5
ALA A   7
LEU A  78
VAL A  50
ILE A  67
 None
 1.13A 3jw5A-2f9hA:
undetectable		 3jw5A-2f9hA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Aquifex
aeolicus) 		PF00308
(Bac_DnaA)
PF08299
(Bac_DnaA_C) 		5 ALA A 131
LEU A 178
LEU A 105
ILE A 115
THR A  84
 None
 1.32A 3jw5A-2hcbA:
undetectable		 3jw5A-2hcbA:
18.32
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.
2he9 NK-TUMOR RECOGNITION
PROTEIN

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 ALA A 106
LEU A 142
VAL A 143
PHE A 147
THR A 126
 None
 1.31A 3jw5A-2he9A:
undetectable		 3jw5A-2he9A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jik SYNAPTOJANIN-2
BINDING PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  88
LEU A  23
LEU A  94
VAL A  68
ILE A  27
 None
 1.26A 3jw5A-2jikA:
undetectable		 3jw5A-2jikA:
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		5 ALA A  65
LEU A  27
LEU A 104
VAL A 115
ILE A  69
 None
 1.28A 3jw5A-2o2gA:
undetectable		 3jw5A-2o2gA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
LEU A  25
LEU A  33
ILE A  62
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.2A)
 0.43A 3jw5A-2oipA:
21.5		 3jw5A-2oipA:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		11 MET A   6
ALA A   8
ASN A  20
LEU A  21
GLU A  28
LEU A  29
VAL A  32
ASN A  47
ILE A  51
PHE A  96
THR A 115
 MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
None
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.9A)
MTX  A 200 ( 4.4A)
 0.75A 3jw5A-2qk8A:
28.4		 3jw5A-2qk8A:
98.77
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.
2rh7 GREEN FLUORESCENT
PROTEIN

(Renilla
reniformis) 		PF01353
(GFP) 		5 ALA A  57
LEU A 129
VAL A  22
ILE A  97
PHE A 124
 None
 1.22A 3jw5A-2rh7A:
undetectable		 3jw5A-2rh7A:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
LEU A  28
ILE A  50
PHE A  92
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 3.9A)
TOP  A1160 ( 4.5A)
 0.42A 3jw5A-2w9sA:
26.1		 3jw5A-2w9sA:
43.64
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.
2wfh SLIT HOMOLOG 2
PROTEIN C-PRODUCT

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 ALA A 884
ASN A 835
GLU A 880
LEU A 854
VAL A 874
 None
 1.26A 3jw5A-2wfhA:
undetectable		 3jw5A-2wfhA:
16.83
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.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		5 ASN A 268
LEU A 267
LEU A 323
VAL A 338
ILE A 385
 None
 1.19A 3jw5A-2wu0A:
undetectable		 3jw5A-2wu0A:
14.73
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 ASN A 499
LEU A 449
VAL A 451
ILE A 493
THR A 427
 None
 1.09A 3jw5A-2yjqA:
undetectable		 3jw5A-2yjqA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ASN A 216
LEU A 240
LEU A 301
VAL A 335
ILE A 148
 None
 1.23A 3jw5A-2zviA:
undetectable		 3jw5A-2zviA:
15.44
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU B 269
LEU B 281
VAL B 254
ILE B 259
THR B 246
 None
 1.23A 3jw5A-3a79B:
undetectable		 3jw5A-3a79B:
13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ALA A 112
LEU A 275
VAL A 278
ILE A 300
PHE A 154
 None
 1.27A 3jw5A-3ak5A:
undetectable		 3jw5A-3ak5A:
9.21
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		5 ALA A  65
ASN A 128
LEU A 115
LEU A 416
ILE A  57
 None
 1.22A 3jw5A-3brzA:
undetectable		 3jw5A-3brzA:
17.11
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.
3bz6 UPF0502 PROTEIN
PSPTO_2686

(Pseudomonas
syringae group
genomosp. 3) 		PF04337
(DUF480) 		5 ASN A  20
LEU A  19
LEU A  81
VAL A  97
ILE A  26
 None
 1.20A 3jw5A-3bz6A:
undetectable		 3jw5A-3bz6A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c30 AUTOINDUCER 2 SENSOR
KINASE/PHOSPHATASE
LUXQ

(Vibrio cholerae) 		PF09308
(LuxQ-periplasm) 		5 ASN A 193
LEU A 155
VAL A 256
ILE A 190
PHE A  64
 None
 1.29A 3jw5A-3c30A:
undetectable		 3jw5A-3c30A:
20.73
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		5 ALA A 439
ASN A 272
LEU A 267
GLU A 488
ASN A 277
 None
 1.23A 3jw5A-3ckbA:
undetectable		 3jw5A-3ckbA:
15.75
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
LEU A  46
ASN A 108
ILE A 112
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 ( 3.4A)
RJ6  A 609 (-4.8A)
RJ6  A 609 ( 4.5A)
 0.63A 3jw5A-3dg8A:
20.8		 3jw5A-3dg8A:
23.74
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.
3dh3 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		5 GLU A 228
VAL A 211
ILE A 126
PHE A 115
THR A 225
 None
 1.31A 3jw5A-3dh3A:
undetectable		 3jw5A-3dh3A:
19.66
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.
3fju CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 ALA A 229
LEU A 222
ILE A 193
PHE A 269
THR A 228
 None
 1.24A 3jw5A-3fjuA:
undetectable		 3jw5A-3fjuA:
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A 138
LEU A 183
LEU A 365
VAL A 151
ILE A 371
 None
 1.32A 3jw5A-3g05A:
undetectable		 3jw5A-3g05A:
15.21
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.
3ggr CELL CYCLE
CHECKPOINT CONTROL
PROTEIN RAD9A

(Homo sapiens) 		PF04139
(Rad9) 		5 MET A  77
VAL A  17
ILE A  99
PHE A  80
THR A  40
 None
 1.09A 3jw5A-3ggrA:
undetectable		 3jw5A-3ggrA:
19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
LEU X  28
VAL X  31
ILE X  50
PHE X  92
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
N22  X 219 ( 3.7A)
N22  X 219 (-4.4A)
 0.48A 3jw5A-3i8aX:
26.1		 3jw5A-3i8aX:
44.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
GLU A  28
LEU A  29
ILE A  51
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.3A)
 0.38A 3jw5A-3ia4A:
26.3		 3jw5A-3ia4A:
43.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A  10
LEU A  23
GLU A  30
LEU A  31
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.5A)
 0.45A 3jw5A-3ix9A:
26.1		 3jw5A-3ix9A:
42.02
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 5 LEU K 704
LEU K 666
VAL K 664
ILE K 677
PHE K 684
 None
 1.12A 3jw5A-3jblK:
undetectable		 3jw5A-3jblK:
10.81
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ALA A 301
LEU A 254
ILE A 194
PHE A 196
THR A 302
 None
 1.23A 3jw5A-3ktnA:
undetectable		 3jw5A-3ktnA:
16.62
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.
3p1t PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Burkholderia
pseudomallei) 		PF00155
(Aminotran_1_2) 		5 LEU A 325
LEU A 264
VAL A 281
ILE A 316
THR A 289
 None
 1.22A 3jw5A-3p1tA:
undetectable		 3jw5A-3p1tA:
17.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  21
LEU A  29
ILE A  51
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.27A 3jw5A-3tq9A:
25.7		 3jw5A-3tq9A:
38.76
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.
3ufg GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT

(Campylobacter
jejuni) 		PF02091
(tRNA-synt_2e) 		5 ALA A 243
ASN A 274
LEU A 271
ILE A 227
THR A 246
 None
 1.20A 3jw5A-3ufgA:
undetectable		 3jw5A-3ufgA:
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 ALA A  24
LEU A  64
LEU A   6
VAL A   4
ASN A 167
 None
None
None
None
PEG  A1364 (-4.0A)
 1.27A 3jw5A-4aukA:
undetectable		 3jw5A-4aukA:
16.22
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.
4b9d SERINE/THREONINE-PRO
TEIN KINASE NEK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 150
ASN A 133
LEU A  55
VAL A  54
ILE A  63
 None
 1.05A 3jw5A-4b9dA:
undetectable		 3jw5A-4b9dA:
19.09
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 ALA A  49
ASN A  64
VAL A 256
ASN A  86
ILE A  84
 None
 1.28A 3jw5A-4ecfA:
undetectable		 3jw5A-4ecfA:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
GLU X  32
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 0.67A 3jw5A-4g8zX:
21.1		 3jw5A-4g8zX:
27.59
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ALA A 175
LEU A 193
LEU A 144
VAL A 140
THR A 178
 None
 1.19A 3jw5A-4gaxA:
undetectable		 3jw5A-4gaxA:
15.97
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.
4h3s GLUTAMINE-TRNA
LIGASE

(Saccharomyces
cerevisiae) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2) 		5 ALA A 419
ASN A 340
LEU A 337
LEU A 446
THR A 439
 None
 1.31A 3jw5A-4h3sA:
undetectable		 3jw5A-4h3sA:
11.83
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
ASN A  24
LEU A  25
GLU A  32
ILE A  62
THR A 140
 14Q  A 302 ( 3.4A)
None
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.2A)
 0.68A 3jw5A-4h98A:
19.3		 3jw5A-4h98A:
28.25
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2) 		5 ALA N 144
ASN K  36
LEU K  35
GLU N 112
PHE K  28
 None
 1.09A 3jw5A-4heaN:
undetectable		 3jw5A-4heaN:
12.62
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.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 MET A 776
LEU A 636
LEU A 707
VAL A 708
ILE A 681
 None
 1.25A 3jw5A-4i15A:
undetectable		 3jw5A-4i15A:
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		5 LEU A 100
GLU A 125
LEU A  93
VAL A 121
ILE A  77
 None
 1.28A 3jw5A-4l9zA:
undetectable		 3jw5A-4l9zA:
19.82
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.
4m4w PRIMOSOMAL PROTEIN
DNAI

(Bacillus
subtilis) 		PF01695
(IstB_IS21)
PF07319
(DnaI_N) 		5 MET J 120
LEU J 204
LEU J 217
VAL J 220
ILE J 245
 None
 1.12A 3jw5A-4m4wJ:
undetectable		 3jw5A-4m4wJ:
19.65
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.
4mec HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		5 ALA A 206
LEU A 118
VAL A 121
ILE A  65
THR A 205
 None
 1.29A 3jw5A-4mecA:
undetectable		 3jw5A-4mecA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ASN A 779
LEU A 776
LEU A 751
VAL A 767
ILE A 738
 None
 1.28A 3jw5A-4mn8A:
undetectable		 3jw5A-4mn8A:
11.11
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.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		5 ALA A 262
LEU A 191
LEU A 245
VAL A 282
ASN A 268
 None
 1.06A 3jw5A-4mx8A:
undetectable		 3jw5A-4mx8A:
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 303
VAL A 158
ILE A 238
PHE A 135
THR A 167
 None
 1.33A 3jw5A-4nenA:
2.3		 3jw5A-4nenA:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		5 LEU A  82
LEU A  45
ILE A  52
PHE A  71
THR A  78
 None
 1.10A 3jw5A-4oxxA:
2.3		 3jw5A-4oxxA:
17.51
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 ALA A 355
ASN A 391
LEU A 390
LEU A 617
VAL A 431
 None
 1.12A 3jw5A-4p7hA:
undetectable		 3jw5A-4p7hA:
10.68
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ALA A 247
ASN A 327
LEU A 264
VAL A 266
ILE A 324
 None
 1.13A 3jw5A-4qdgA:
undetectable		 3jw5A-4qdgA:
16.98
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 MET A 215
LEU A 285
LEU A 236
VAL A 240
ILE A 208
 None
 1.33A 3jw5A-4rcdA:
undetectable		 3jw5A-4rcdA:
16.14
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.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ALA A 339
LEU A 332
ILE A 303
PHE A 379
THR A 338
 None
 1.26A 3jw5A-4uf4A:
undetectable		 3jw5A-4uf4A:
15.85
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 437
ASN A 356
VAL A 440
ASN A 377
PHE A   1
 CA  A2004 ( 4.4A)
None
None
None
None
 1.22A 3jw5A-4um8A:
undetectable		 3jw5A-4um8A:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ALA A  76
LEU A  89
VAL A  87
ASN A  27
ILE A  55
 None
 1.21A 3jw5A-4uzsA:
undetectable		 3jw5A-4uzsA:
11.47
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.
4wd4 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 ALA A 206
LEU A 118
VAL A 121
ILE A  65
THR A 205
 None
 1.32A 3jw5A-4wd4A:
undetectable		 3jw5A-4wd4A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 ALA E 297
ASN E 331
LEU E 332
LEU E 260
VAL E 264
 None
 1.23A 3jw5A-4whbE:
undetectable		 3jw5A-4whbE:
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 ALA A 168
LEU A  97
LEU A  84
VAL A  82
THR A  48
 None
 1.32A 3jw5A-4z8zA:
undetectable		 3jw5A-4z8zA:
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.
4zxk SIALIDASE A

(Streptococcus
pneumoniae) 		PF02973
(Sialidase) 		5 ASN A 293
LEU A 149
VAL A 173
ILE A 122
PHE A 171
 None
 1.24A 3jw5A-4zxkA:
undetectable		 3jw5A-4zxkA:
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		5 MET A 205
ALA A 247
LEU A 215
VAL A 213
ILE A 193
 None
 1.14A 3jw5A-5bxpA:
undetectable		 3jw5A-5bxpA:
13.93
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli) 		PF03243
(MerB)
PF12324
(HTH_15) 		5 LEU A  28
VAL A  14
ASN A 200
PHE A 199
THR A  20
 None
 1.19A 3jw5A-5c0uA:
undetectable		 3jw5A-5c0uA:
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.
5czv NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 3

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD)
PF07684
(NODP) 		5 ALA A1604
LEU A1543
LEU A1515
VAL A1629
ILE A1538
 None
 1.11A 3jw5A-5czvA:
undetectable		 3jw5A-5czvA:
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.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 598
GLU A 501
LEU A 505
VAL A 504
ILE A 513
 None
None
5XJ  A 801 (-3.8A)
None
None
 1.12A 3jw5A-5fd2A:
undetectable		 3jw5A-5fd2A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ALA A 412
LEU A 390
ASN A 407
ILE A 377
PHE A 382
 None
 1.31A 3jw5A-5gmhA:
undetectable		 3jw5A-5gmhA:
11.32
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.
5gnc AVH146

(Phytophthora
sojae) 		no annotation 5 LEU A 332
GLU A 351
LEU A 316
VAL A 315
PHE A 294
 None
 1.28A 3jw5A-5gncA:
undetectable		 3jw5A-5gncA:
13.48
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ASN A 540
LEU A 537
LEU A 510
VAL A 532
ILE A 496
 None
 1.26A 3jw5A-5hdhA:
undetectable		 3jw5A-5hdhA:
11.39
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.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 ALA A 962
ASN A 859
VAL A1134
ILE A1107
THR A 963
 None
 1.21A 3jw5A-5i08A:
undetectable		 3jw5A-5i08A:
8.80
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.
5i7k BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Homo sapiens) 		PF01273
(LBP_BPI_CETP) 		5 ALA A 161
LEU A  55
LEU A 120
ILE A 242
THR A 160
 None
 1.14A 3jw5A-5i7kA:
undetectable		 3jw5A-5i7kA:
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.
5itg SORBITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ALA A 300
ASN A 335
LEU A 334
ILE A 358
PHE A 361
 None
 1.12A 3jw5A-5itgA:
undetectable		 3jw5A-5itgA:
15.87
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.
5jho ELECTRONEUTRAL
SODIUM BICARBONATE
EXCHANGER 1

(Homo sapiens) 		PF07565
(Band_3_cyto) 		5 ALA A 264
ASN A 249
LEU A 287
ILE A 134
THR A 124
 None
 1.24A 3jw5A-5jhoA:
undetectable		 3jw5A-5jhoA:
17.11
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.
5lal DIRIGENT PROTEIN 6

(Arabidopsis
thaliana) 		PF03018
(Dirigent) 		5 MET A 179
ALA A 162
LEU A 183
LEU A 131
PHE A  45
 None
None
None
None
GLY  A 216 ( 4.9A)
 1.15A 3jw5A-5lalA:
undetectable		 3jw5A-5lalA:
18.78
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 5 ASN A  81
LEU A  53
GLU A  46
VAL A 190
THR A  49
 None
 1.25A 3jw5A-5li4A:
undetectable		 3jw5A-5li4A:
13.36
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.
5loq PUTATIVE
HEME-DEPENDENT
PEROXIDASE LMO2113

(Listeria
monocytogenes) 		PF06778
(Chlor_dismutase) 		5 LEU A 245
LEU A  70
ILE A  94
PHE A  89
THR A  59
 None
 1.14A 3jw5A-5loqA:
undetectable		 3jw5A-5loqA:
17.65
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.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		5 ASN A  39
LEU A  42
LEU A  90
VAL A  62
ILE A  82
 None
 1.25A 3jw5A-5nckA:
undetectable		 3jw5A-5nckA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2u CAPSID PROTEIN P24
VHH 59H10

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00607
(Gag_p24)
PF07686
(V-set) 		5 ALA A 209
GLU A 213
VAL B  58
PHE B  47
THR A 210
 None
 1.17A 3jw5A-5o2uA:
undetectable		 3jw5A-5o2uA:
12.80
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 ALA A1079
LEU A1068
GLU A1082
VAL A1084
PHE A1103
 None
 1.28A 3jw5A-5o51A:
undetectable		 3jw5A-5o51A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  24
GLU A 328
LEU A 327
VAL A 324
ILE A   7
 None
 0.99A 3jw5A-5vmtA:
undetectable		 3jw5A-5vmtA:
19.05
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.
5x8r PROTEIN CS22

(Spinacia
oleracea) 		no annotation 5 ASN v  35
LEU v  38
LEU v  24
VAL v  95
THR v  86
 None
 1.33A 3jw5A-5x8rv:
undetectable		 3jw5A-5x8rv:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		5 ALA D  90
ASN D 415
LEU D 416
LEU D  79
ILE D  64
 None
MG  D 503 ( 4.6A)
None
None
None
 1.30A 3jw5A-5xfaD:
undetectable		 3jw5A-5xfaD:
14.32
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
PHE A 209
THR A 201
 None
None
None
None
PO4  A 401 (-4.0A)
 1.13A 3jw5A-5y2vA:
undetectable		 3jw5A-5y2vA:
19.05
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.
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 5 ALA A 204
VAL A 240
ILE A 184
PHE A 209
THR A 201
 None
None
None
None
PGA  A 401 (-3.6A)
 1.22A 3jw5A-5y2wA:
undetectable		 3jw5A-5y2wA:
23.81
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 ASN A 442
LEU A 446
GLU A 359
ASN A 401
PHE A 399
 None
 1.32A 3jw5A-5yfbA:
undetectable		 3jw5A-5yfbA:
17.76
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.
6e4e -

(-) 		no annotation 7 ALA A   7
LEU A  20
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.49A 3jw5A-6e4eA:
26.0		 3jw5A-6e4eA:
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 MET A 624
LEU A 694
LEU A 645
VAL A 649
ILE A 617
 None
 1.32A 3jw5A-6ej2A:
undetectable		 3jw5A-6ej2A:
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.
6f2c METHYLGLYOXAL
SYNTHASE

(Bacillus
subtilis) 		no annotation 5 MET A 109
ALA A 106
LEU A  74
LEU A   5
ILE A  25
 None
 1.32A 3jw5A-6f2cA:
undetectable		 3jw5A-6f2cA:
16.07