SIMILAR PATTERNS OF AMINO ACIDS FOR 4XK8_A_PQNA844

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.
1brt BROMOPEROXIDASE A2

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		4 PHE A 121
SER A 124
ALA A 243
LEU A 244
 None
 1.10A 4xk8A-1brtA:
undetectable		 4xk8A-1brtA:
17.35
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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 102
SER A 104
ALA A 155
LEU A 152
 PHE  A 102 ( 1.3A)
SER  A 104 ( 0.0A)
ALA  A 155 ( 0.0A)
LEU  A 152 ( 0.6A)
 1.09A 4xk8A-1c8xA:
undetectable		 4xk8A-1c8xA:
16.76
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.
1faw HEMOGLOBIN (ALPHA
SUBUNIT)

(Anser anser) 		PF00042
(Globin) 		4 PHE A  46
SER A  52
ALA A  26
LEU A  29
 HEM  A 150 (-4.6A)
None
None
None
 1.10A 4xk8A-1fawA:
undetectable		 4xk8A-1fawA:
10.73
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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		4 PHE A  84
ARG A  29
ALA A 109
LEU A  28
 None
 0.94A 4xk8A-1g6oA:
undetectable		 4xk8A-1g6oA:
17.45
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.
1ijl PHOSPHOLIPASE A2

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		4 MET A  18
PHE A  19
SER A  22
ARG A 110
 None
 0.74A 4xk8A-1ijlA:
2.3		 4xk8A-1ijlA:
8.50
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		4 MET A 468
ARG A 460
TRP A 464
ALA A 457
 None
 1.08A 4xk8A-1iq7A:
0.0		 4xk8A-1iq7A:
16.55
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 PHE A 140
SER A 142
ALA A 132
LEU A 135
 None
 0.99A 4xk8A-1ogyA:
undetectable		 4xk8A-1ogyA:
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.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		4 PHE A  39
ARG A  87
ALA A  89
LEU A  88
 None
 0.90A 4xk8A-1rwrA:
undetectable		 4xk8A-1rwrA:
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.
1wdv HYPOTHETICAL PROTEIN
APE2540

(Aeropyrum
pernix) 		PF04073
(tRNA_edit) 		4 MET A  71
ARG A  80
ALA A  82
LEU A  81
 None
 1.02A 4xk8A-1wdvA:
undetectable		 4xk8A-1wdvA:
12.41
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 PHE A  45
SER A 172
ALA A 272
LEU A 276
 HEM  A 396 (-3.6A)
HEM  A 396 (-2.8A)
None
None
 0.97A 4xk8A-1yzpA:
0.0		 4xk8A-1yzpA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 PHE A  51
ARG A  69
ALA A  65
LEU A  68
 None
 0.89A 4xk8A-2afbA:
undetectable		 4xk8A-2afbA:
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.
2dwg PROTEIN RUFY3

(Mus musculus) 		PF02759
(RUN) 		4 MET A 126
PHE A 122
ALA A 188
LEU A 189
 None
 0.94A 4xk8A-2dwgA:
undetectable		 4xk8A-2dwgA:
12.53
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.
2ef0 ORNITHINE
CARBAMOYLTRANSFERASE

(Thermus
thermophilus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 PHE A 282
SER A 279
ALA A 263
LEU A 261
 None
 1.06A 4xk8A-2ef0A:
undetectable		 4xk8A-2ef0A:
16.96
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.
2evr COG0791: CELL
WALL-ASSOCIATED
HYDROLASES
(INVASION-ASSOCIATED
PROTEINS)

(Nostoc
punctiforme) 		PF00877
(NLPC_P60) 		4 PHE A 134
SER A 136
ALA A  98
LEU A  97
 None
 1.05A 4xk8A-2evrA:
undetectable		 4xk8A-2evrA:
17.90
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.
2ihy ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
aureus) 		PF00005
(ABC_tran) 		4 MET A 237
PHE A 241
ALA A  39
LEU A  36
 None
None
SO4  A 301 (-3.7A)
None
 1.10A 4xk8A-2ihyA:
undetectable		 4xk8A-2ihyA:
17.47
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 MET A 616
PHE A 612
ALA A 595
LEU A 596
 None
 1.05A 4xk8A-2ipcA:
undetectable		 4xk8A-2ipcA:
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.
2iv8 AP-2 COMPLEX SUBUNIT
BETA-1

(Homo sapiens) 		PF02883
(Alpha_adaptinC2)
PF09066
(B2-adapt-app_C) 		4 MET A 740
PHE A 742
ALA A 720
LEU A 723
 None
 1.12A 4xk8A-2iv8A:
undetectable		 4xk8A-2iv8A:
12.99
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		4 PHE A 168
ARG A 163
ALA A 159
LEU A 162
 None
 1.10A 4xk8A-2jh3A:
undetectable		 4xk8A-2jh3A:
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ARG A  43
TRP A  18
ALA A  39
LEU A  42
 None
 1.09A 4xk8A-2nq5A:
undetectable		 4xk8A-2nq5A:
22.14
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 PHE A 291
SER A 300
ALA A 243
LEU A 269
 DHK  A9241 (-3.4A)
DHK  A9241 (-2.8A)
DHK  A9241 ( 4.6A)
DHK  A9241 (-3.7A)
 1.02A 4xk8A-2o7qA:
undetectable		 4xk8A-2o7qA:
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.
2o8s AGR_C_984P

(Agrobacterium
fabrum) 		PF06748
(DUF1217) 		4 MET A 102
PHE A 101
ALA A 154
LEU A 157
 None
 1.11A 4xk8A-2o8sA:
undetectable		 4xk8A-2o8sA:
18.68
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 MET A 387
PHE A 391
ALA A 322
LEU A 323
 None
 1.06A 4xk8A-2qfqA:
undetectable		 4xk8A-2qfqA:
20.40
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.
2qyf MAD2L1-BINDING
PROTEIN

(Homo sapiens) 		PF06581
(p31comet) 		4 PHE B  60
ARG B 249
ALA B 173
LEU B 172
 None
 0.96A 4xk8A-2qyfB:
undetectable		 4xk8A-2qyfB:
14.96
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		4 MET A 334
PHE A 338
ALA A 404
LEU A 403
 None
 1.01A 4xk8A-2qykA:
undetectable		 4xk8A-2qykA:
17.69
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		4 MET A 720
PHE A 687
SER A 690
ARG A 695
 None
 1.12A 4xk8A-2qzaA:
2.9		 4xk8A-2qzaA:
21.82
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.
2rcy PYRROLINE
CARBOXYLATE
REDUCTASE

(Plasmodium
falciparum) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		4 PHE A 145
SER A 147
ALA A  20
LEU A  19
 None
 1.06A 4xk8A-2rcyA:
1.0		 4xk8A-2rcyA:
17.88
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.
2vf1 CAPSID PROTEIN

(Rabbit
picobirnavirus) 		no annotation 4 SER A 274
ARG A 125
ALA A 212
LEU A 211
 None
 1.08A 4xk8A-2vf1A:
undetectable		 4xk8A-2vf1A:
23.35
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 MET A 129
PHE A 132
ALA A  92
LEU A  93
 None
 1.06A 4xk8A-2vqrA:
undetectable		 4xk8A-2vqrA:
21.38
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.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 MET A 129
PHE A 132
ALA A  92
LEU A  93
 None
 1.08A 4xk8A-2w8sA:
undetectable		 4xk8A-2w8sA:
21.47
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.
2xhz ARABINOSE
5-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		4 MET A  67
PHE A  71
ALA A 177
LEU A 178
 None
 1.03A 4xk8A-2xhzA:
undetectable		 4xk8A-2xhzA:
12.13
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 PHE A 178
ARG A 162
ALA A 155
LEU A 156
 None
 0.78A 4xk8A-2zo4A:
undetectable		 4xk8A-2zo4A:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 PHE A 115
SER A 116
ALA A 122
LEU A 123
 None
 1.11A 4xk8A-2zviA:
undetectable		 4xk8A-2zviA:
20.72
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.
3aqs BACTERIAL REGULATORY
PROTEINS, TETR
FAMILY

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		4 PHE A 159
ARG A 203
ALA A 212
LEU A 202
 None
 1.01A 4xk8A-3aqsA:
undetectable		 4xk8A-3aqsA:
16.55
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.
3ceu THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Bacteroides
thetaiotaomicron) 		PF02581
(TMP-TENI) 		4 PHE A 166
ARG A 135
ALA A 131
LEU A 134
 None
 1.08A 4xk8A-3ceuA:
undetectable		 4xk8A-3ceuA:
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.
3ciy TOLL-LIKE RECEPTOR 3

(Mus musculus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 PHE A 217
ARG A 187
ALA A 185
LEU A 186
 None
 0.99A 4xk8A-3ciyA:
undetectable		 4xk8A-3ciyA:
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.
3cyv UROPORPHYRINOGEN
DECARBOXYLASE

(Shigella
flexneri) 		PF01208
(URO-D) 		4 SER A 223
TRP A 149
ALA A 152
LEU A 151
 None
 1.03A 4xk8A-3cyvA:
undetectable		 4xk8A-3cyvA:
19.47
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.
3d6c THERMONUCLEASE

(Staphylococcus
aureus) 		PF00565
(SNase) 		4 MET A  65
PHE A  61
ALA A 109
LEU A 108
 None
 1.08A 4xk8A-3d6cA:
undetectable		 4xk8A-3d6cA:
9.70
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.
3gc6 ECTO-NAD+
GLYCOHYDROLASE (CD38
MOLECULE)

(Bos taurus) 		PF02267
(Rib_hydrolayse) 		4 PHE A 214
SER A 212
ALA A 207
LEU A 200
 None
SO4  A 281 (-4.5A)
None
None
 1.11A 4xk8A-3gc6A:
undetectable		 4xk8A-3gc6A:
16.12
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 MET A 136
PHE A 137
ALA A 116
LEU A 115
 None
 1.09A 4xk8A-3jyfA:
undetectable		 4xk8A-3jyfA:
18.58
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.
3kuq RHO
GTPASE-ACTIVATING
PROTEIN 7

(Homo sapiens) 		PF00620
(RhoGAP) 		4 PHE A1154
SER A1232
ALA A1147
LEU A1150
 None
 1.06A 4xk8A-3kuqA:
undetectable		 4xk8A-3kuqA:
14.65
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.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		4 PHE A 232
SER A 263
ALA A 194
LEU A 193
 None
 0.97A 4xk8A-3lmmA:
undetectable		 4xk8A-3lmmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 MET A 436
PHE A 437
SER A 439
ALA A 404
 None
 1.02A 4xk8A-3mosA:
undetectable		 4xk8A-3mosA:
21.21
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.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 MET A 388
PHE A 392
ALA A 323
LEU A 324
 None
 1.03A 4xk8A-3nvsA:
undetectable		 4xk8A-3nvsA:
20.46
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 PHE A  67
ARG A 128
ALA A 124
LEU A 127
 None
 1.05A 4xk8A-3pvcA:
undetectable		 4xk8A-3pvcA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s3f TYROSINE-PROTEIN
PHOSPHATASE 10D

(Drosophila
melanogaster) 		PF00102
(Y_phosphatase) 		4 MET A 132
SER A 136
ALA A 140
LEU A 200
 None
 1.09A 4xk8A-3s3fA:
undetectable		 4xk8A-3s3fA:
16.35
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.
3sir CASPASE

(Drosophila
melanogaster) 		PF00656
(Peptidase_C14) 		4 MET A 195
PHE A 194
SER A 192
ALA A 137
 None
 1.03A 4xk8A-3sirA:
undetectable		 4xk8A-3sirA:
16.39
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		4 MET A 122
PHE A 126
ALA A 192
LEU A 191
 MET  A 122 ( 0.0A)
PHE  A 126 ( 1.3A)
ALA  A 192 ( 0.0A)
LEU  A 191 ( 0.6A)
 1.12A 4xk8A-3sl5A:
undetectable		 4xk8A-3sl5A:
18.44
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.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 PHE A 156
SER A 218
ALA A 115
LEU A 147
 None
 1.08A 4xk8A-3uyqA:
undetectable		 4xk8A-3uyqA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		4 PHE A 257
ARG A  61
ALA A  63
LEU A  62
 None
 1.12A 4xk8A-3vb0A:
undetectable		 4xk8A-3vb0A:
19.22
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		4 PHE A 359
SER A 354
ALA A 132
LEU A 148
 None
None
MG  A 501 ( 3.8A)
None
 1.09A 4xk8A-3vb9A:
undetectable		 4xk8A-3vb9A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 PHE B 327
SER B  44
ALA B 115
LEU B 361
 None
 1.12A 4xk8A-4aczB:
undetectable		 4xk8A-4aczB:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aq1 NBKB6

(Lama glama) 		PF07686
(V-set) 		4 MET B  64
PHE B  68
ALA B  87
LEU B  86
 None
 0.75A 4xk8A-4aq1B:
undetectable		 4xk8A-4aq1B:
10.54
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.
4bvl PHB DEPOLYMERASE
PHAZ7

(Paucimonas
lemoignei) 		PF01674
(Lipase_2) 		4 PHE A 197
SER A 170
TRP A 287
ALA A 181
 None
 0.99A 4xk8A-4bvlA:
undetectable		 4xk8A-4bvlA:
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.
4cwe REPLICATION
INITIATION PROTEIN,
REPLICATION
INITIATION PROTEIN

(Staphylococcus
aureus) 		PF02486
(Rep_trans) 		4 PHE A 138
ARG A 140
ALA A  47
LEU A 141
 None
 1.05A 4xk8A-4cweA:
undetectable		 4xk8A-4cweA:
15.36
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.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 PHE A  45
SER A 172
ALA A 276
LEU A 280
 HEM  A1374 (-3.7A)
HEM  A1374 (-3.1A)
None
None
 1.10A 4xk8A-4czpA:
undetectable		 4xk8A-4czpA:
20.42
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.
4eun THERMORESISTANT
GLUCOKINASE

(Janibacter sp.
HTCC2649) 		PF01202
(SKI) 		4 MET A 127
PHE A 126
SER A  15
ALA A  37
 None
 0.69A 4xk8A-4eunA:
undetectable		 4xk8A-4eunA:
14.60
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.
4f3v ESX-1 SECRETION
SYSTEM PROTEIN ECCA1

(Mycobacterium
tuberculosis) 		no annotation 4 PHE A 166
SER A 198
ALA A 171
LEU A 167
 None
 1.11A 4xk8A-4f3vA:
2.5		 4xk8A-4f3vA:
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.
4hp4 EAG-LIKE K[+]
CHANNEL

(Drosophila
melanogaster) 		PF13426
(PAS_9) 		4 PHE A  22
SER A  45
ALA A 127
LEU A 126
 None
 1.07A 4xk8A-4hp4A:
undetectable		 4xk8A-4hp4A:
10.47
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.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		4 MET A  15
PHE A 106
ALA A 276
LEU A 281
 None
 0.96A 4xk8A-4iu4A:
undetectable		 4xk8A-4iu4A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 PHE A 268
ARG A 316
ALA A 131
LEU A 130
 None
 1.04A 4xk8A-4jjjA:
2.2		 4xk8A-4jjjA:
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.
4kh7 GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Salmonella
enterica) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 PHE A 159
SER A 155
ALA A  76
LEU A  84
 None
 0.96A 4xk8A-4kh7A:
undetectable		 4xk8A-4kh7A:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 MET A 140
PHE A 142
SER A 183
LEU A 197
 None
 0.79A 4xk8A-4l39A:
undetectable		 4xk8A-4l39A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lcm TRANSESTERASE

(Aspergillus
terreus) 		PF00144
(Beta-lactamase) 		4 PHE A 384
ARG A  73
ALA A  75
LEU A  74
 None
 1.03A 4xk8A-4lcmA:
undetectable		 4xk8A-4lcmA:
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.
4mec HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 MET A  34
PHE A  33
SER A  31
LEU A 217
 ZNH  A 300 ( 4.3A)
None
None
None
 1.10A 4xk8A-4mecA:
undetectable		 4xk8A-4mecA:
14.87
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.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 PHE A 524
SER A 547
TRP A 549
ALA A 592
 None
 1.01A 4xk8A-4p72A:
undetectable		 4xk8A-4p72A:
23.30
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.
4r89 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08774
(VRR_NUC) 		4 PHE A 491
ARG A 493
TRP A 490
LEU A 494
 None
 1.02A 4xk8A-4r89A:
undetectable		 4xk8A-4r89A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkk LAFORIN

(Homo sapiens) 		PF00686
(CBM_20)
PF00782
(DSPc) 		4 MET A   1
PHE A   3
ARG A 290
LEU A 124
 None
 1.08A 4xk8A-4rkkA:
undetectable		 4xk8A-4rkkA:
17.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.32A 4xk8A-4rkuA:
45.4		 4xk8A-4rkuA:
99.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.48A 4xk8A-4rkuB:
34.4		 4xk8A-4rkuB:
44.96
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.
4wp6 MRNA EXPORT PROTEIN

(Chaetomium
thermophilum) 		PF14580
(LRR_9) 		4 PHE A 312
ARG A 291
ALA A 265
LEU A 292
 None
 1.03A 4xk8A-4wp6A:
undetectable		 4xk8A-4wp6A:
13.43
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.
4wxt THIOREDOXIN

(Mycobacterium
avium) 		PF00085
(Thioredoxin) 		4 PHE A  18
SER A  17
ALA A  24
LEU A  23
 None
 1.06A 4xk8A-4wxtA:
undetectable		 4xk8A-4wxtA:
9.81
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 PHE A 136
ARG A 127
ALA A 123
LEU A 126
 None
 0.87A 4xk8A-4y5rA:
undetectable		 4xk8A-4y5rA:
17.36
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.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		4 PHE A 420
SER A 249
ARG A 362
LEU A 361
 None
 1.11A 4xk8A-5aynA:
undetectable		 4xk8A-5aynA:
23.22
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 PHE A 317
SER A 315
ALA A 110
LEU A 111
 None
 1.07A 4xk8A-5by7A:
undetectable		 4xk8A-5by7A:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 PHE A 177
SER A 179
ALA A 170
LEU A 173
 None
 0.99A 4xk8A-5dp2A:
undetectable		 4xk8A-5dp2A:
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.
5e3t PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE I,
ALPHA

(Danio rerio) 		PF01504
(PIP5K) 		4 MET A 221
PHE A 203
ALA A 178
LEU A 181
 None
 1.02A 4xk8A-5e3tA:
undetectable		 4xk8A-5e3tA:
18.60
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		4 SER A 165
ARG A 188
ALA A 172
LEU A 187
 None
 0.91A 4xk8A-5ebbA:
undetectable		 4xk8A-5ebbA:
19.47
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.
5h0i ASPARAGINYL
ENDOPEPTIDASE

(Oldenlandia
affinis) 		PF01650
(Peptidase_C13) 		4 MET A 222
PHE A 223
ALA A 197
LEU A 198
 None
 1.04A 4xk8A-5h0iA:
undetectable		 4xk8A-5h0iA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		4 PHE A 216
SER A 212
ALA A 164
LEU A 167
 None
 1.12A 4xk8A-5hn4A:
undetectable		 4xk8A-5hn4A:
17.87
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.
5jpq ES6

(Chaetomium
thermophilum) 		no annotation 4 MET r   1
PHE r   3
ALA r  53
LEU r 111
 None
None
G  2 163 ( 4.3A)
None
 1.09A 4xk8A-5jpqr:
2.6		 4xk8A-5jpqr:
14.09
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.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		4 PHE A 268
SER A 259
ALA A 250
LEU A 249
 None
 1.08A 4xk8A-5l7dA:
2.8		 4xk8A-5l7dA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpq TRANSGLYCOSYLASE

(Neisseria
meningitidis) 		PF01464
(SLT)
PF14718
(SLT_L) 		4 PHE A 390
SER A 414
ARG A 384
TRP A 383
 None
 1.06A 4xk8A-5mpqA:
undetectable		 4xk8A-5mpqA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 4 SER A 387
ARG A 581
ALA A 577
LEU A 580
 None
 0.63A 4xk8A-5nfuA:
undetectable		 4xk8A-5nfuA:
8.60
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.31A 4xk8A-5oy01:
45.1		 4xk8A-5oy01:
8.73
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.60A 4xk8A-5oy0b:
34.6		 4xk8A-5oy0b:
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.
5t3e BACILLAMIDE
SYNTHETASE
HETEROCYCLIZATION
DOMAIN

(Thermoactinomyces
vulgaris) 		PF00668
(Condensation) 		4 PHE A 867
SER A 870
ALA A 858
LEU A 861
 None
 1.09A 4xk8A-5t3eA:
undetectable		 4xk8A-5t3eA:
20.79
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 PHE A 127
SER A 123
ALA A  68
LEU A  79
 None
 1.10A 4xk8A-5thkA:
undetectable		 4xk8A-5thkA:
16.28
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.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 4 PHE A 168
SER A 193
ALA A 161
LEU A 164
 None
 1.02A 4xk8A-5tnuA:
undetectable		 4xk8A-5tnuA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 197
SER A 195
ALA A 190
LEU A 189
 None
 1.11A 4xk8A-5tnxA:
undetectable		 4xk8A-5tnxA:
20.03
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 MET A 421
SER A 107
ALA A 156
LEU A 155
 None
 0.93A 4xk8A-5tr1A:
undetectable		 4xk8A-5tr1A:
24.03
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.
5uqi PHOSPHOSUGAR
ISOMERASE

(Escherichia
coli) 		no annotation 4 PHE A  65
SER A  72
ALA A  58
LEU A  61
 None
 1.01A 4xk8A-5uqiA:
undetectable		 4xk8A-5uqiA:
7.20
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		4 SER A 545
ARG A 551
ALA A 580
LEU A 581
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
 0.94A 4xk8A-5v8kA:
22.1		 4xk8A-5v8kA:
23.88
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.
5vbl APELIN
RECEPTOR,RUBREDOXIN,
APELIN RECEPTOR
CHIMERA

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		5 PHE B  78
SER B 105
TRP B  85
ALA B  86
LEU B  82
 None
 1.47A 4xk8A-5vblB:
undetectable		 4xk8A-5vblB:
19.76
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.
5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Homo sapiens) 		no annotation 4 PHE A 936
TRP A 940
ALA A1031
LEU A1035
 None
 1.07A 4xk8A-5wp6A:
undetectable		 4xk8A-5wp6A:
7.50
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.
5x7v NUCLEOSOME ASSEMBLY
PROTEIN

(Plasmodium
falciparum) 		PF00956
(NAP) 		4 PHE A 123
TRP A  80
ALA A  81
LEU A 101
 None
 0.95A 4xk8A-5x7vA:
undetectable		 4xk8A-5x7vA:
13.54
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 4 MET A 204
PHE A 208
ALA A 480
LEU A 477
 None
 1.06A 4xk8A-5yemA:
undetectable		 4xk8A-5yemA:
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.
6ckc METHYLOSOME PROTEIN
50

(Homo sapiens) 		no annotation 4 PHE B 228
TRP B 220
ALA B 174
LEU B 218
 None
 1.01A 4xk8A-6ckcB:
undetectable		 4xk8A-6ckcB:
9.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
PHE A 682
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.91A 4xk8A-6fosA:
42.2		 4xk8A-6fosA:
82.50
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.83A 4xk8A-6fosB:
27.3		 4xk8A-6fosB:
7.28
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.
6gup -

(-) 		no annotation 4 PHE A 264
SER A 133
ALA A 159
LEU A 277
 None
 1.10A 4xk8A-6gupA:
undetectable		 4xk8A-6gupA:
undetectable