SIMILAR PATTERNS OF AMINO ACIDS FOR 4XK8_A_PQNA845

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.
1aoa T-FIMBRIN

(Homo sapiens)
PF00307
(CH)
4 ARG A 220
ALA A 216
LEU A 219
GLY A 161
ARG  A 220 ( 0.6A)
ALA  A 216 ( 0.0A)
LEU  A 219 ( 0.6A)
GLY  A 161 ( 0.0A)
0.91A 4xk8a-1aoaA:
undetectable
4xk8a-1aoaA:
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)


(Hepacivirus C)
PF00998
(RdRP_3)
4 PHE A 526
ALA A 510
LEU A 511
GLY A 522
None
0.76A 4xk8a-1csjA:
undetectable
4xk8a-1csjA:
20.05
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.
1fpz CYCLIN-DEPENDENT
KINASE INHIBITOR 3


(Homo sapiens)
PF05706
(CDKN3)
4 SER A  30
ALA A 179
LEU A 144
GLY A 143
None
None
None
SO4  A 900 ( 4.7A)
0.85A 4xk8a-1fpzA:
undetectable
4xk8a-1fpzA:
13.65
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.
1ijl PHOSPHOLIPASE A2

(Deinagkistrodon
acutus)
PF00068
(Phospholip_A2_1)
4 MET A  18
PHE A  19
SER A  22
ARG A 110
None
0.76A 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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris)
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C)
4 MET A 372
SER A 370
ALA A 131
GLY A 448
None
0.86A 4xk8a-1jf5A:
undetectable
4xk8a-1jf5A:
21.86
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE


(Pseudomonas
putida)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3)
4 PHE A 194
ARG A 276
ALA A 283
GLY A 280
None
0.77A 4xk8a-1kv9A:
0.0
4xk8a-1kv9A:
23.64
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.
1n5x XANTHINE
DEHYDROGENASE


(Bos taurus)
PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C)
4 PHE A 911
ALA A1198
LEU A1264
GLY A 913
None
0.89A 4xk8a-1n5xA:
undetectable
4xk8a-1n5xA:
19.95
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE


(Rhodobacter
sphaeroides)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
4 SER A 142
ALA A 132
LEU A 135
GLY A 139
None
0.92A 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.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A


(Escherichia
coli)
no annotation 4 PHE A  42
ALA A  86
LEU A  89
GLY A   8
None
0.99A 4xk8a-1oy1A:
undetectable
4xk8a-1oy1A:
13.75
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.
1rwr FILAMENTOUS
HEMAGGLUTININ


(Bordetella
pertussis)
PF05860
(Haemagg_act)
4 PHE A  39
ARG A  87
ALA A  89
LEU A  88
None
0.89A 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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE


(Geotrichum sp.
M128)
PF15899
(BNR_6)
4 SER A 343
TRP A 435
ALA A 358
GLY A 353
None
1.00A 4xk8a-1sqjA:
undetectable
4xk8a-1sqjA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyj CELLULOSOMAL
SCAFFOLDIN


(Pseudobacteroides
cellulosolvens)
PF00963
(Cohesin)
4 ARG A  91
ALA A  74
LEU A  92
GLY A  33
None
EDO  A 175 (-3.6A)
None
None
0.90A 4xk8a-1tyjA:
undetectable
4xk8a-1tyjA:
13.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpd TARTRONATE
SEMIALDEHYDE
REDUCTASE


(Salmonella
enterica)
PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11)
4 PHE A   7
ALA A  46
LEU A  28
GLY A   6
None
0.90A 4xk8a-1vpdA:
undetectable
4xk8a-1vpdA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.98A 4xk8a-1yzpA:
undetectable
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE


(Archaeoglobus
fulgidus)
PF01238
(PMI_typeI)
4 SER A 186
ALA A 192
LEU A 191
GLY A 115
None
None
None
EDO  A 801 ( 4.2A)
0.79A 4xk8a-1zx5A:
undetectable
4xk8a-1zx5A:
17.27
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.
1zzg GLUCOSE-6-PHOSPHATE
ISOMERASE


(Thermus
thermophilus)
PF00342
(PGI)
4 TRP A 260
ALA A  83
LEU A  84
GLY A 195
None
0.84A 4xk8a-1zzgA:
0.8
4xk8a-1zzgA:
21.78
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.
2bac PUTATIVE
AMINOOXIDASE


(Cutibacterium
acnes)
PF01593
(Amino_oxidase)
4 MET A 190
ALA A 113
LEU A 117
GLY A 118
None
1.01A 4xk8a-2bacA:
undetectable
4xk8a-2bacA:
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori)
PF01041
(DegT_DnrJ_EryC1)
4 PHE A 179
ALA A 246
LEU A 243
GLY A 239
None
0.97A 4xk8a-2fnuA:
undetectable
4xk8a-2fnuA:
18.12
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.
2iqt FRUCTOSE-BISPHOSPHAT
E ALDOLASE CLASS 1


(Porphyromonas
gingivalis)
PF00274
(Glycolytic)
4 PHE A  15
ALA A 262
LEU A 263
GLY A  17
None
0.84A 4xk8a-2iqtA:
undetectable
4xk8a-2iqtA:
17.31
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana)
PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
4 PHE A 260
ALA A   9
LEU A  10
GLY A 257
None
1.01A 4xk8a-2j4dA:
undetectable
4xk8a-2j4dA:
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.
2mf4 HYBRID POLYKETIDE
SYNTHASE-NON
RIBOSOMAL PEPTIDE
SYNTHETASE


(Streptomyces
virginiae)
PF00550
(PP-binding)
4 PHE A6776
ALA A6792
LEU A6793
GLY A6773
None
0.90A 4xk8a-2mf4A:
undetectable
4xk8a-2mf4A:
6.99
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.
2mzw ELONGATION FACTOR G

(Staphylococcus
aureus)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II)
4 ARG A 659
ALA A 655
LEU A 658
GLY A 666
None
0.91A 4xk8a-2mzwA:
undetectable
4xk8a-2mzwA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE


(Sulfolobus
acidocaldarius)
PF00701
(DHDPS)
4 ARG A 234
ALA A 230
LEU A 233
GLY A 237
None
0.97A 4xk8a-2nuxA:
undetectable
4xk8a-2nuxA:
17.42
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.
2q34 CURF

(Moorea
producens)
PF00378
(ECH_1)
4 MET A 111
PHE A 131
ALA A 138
GLY A 177
None
1.00A 4xk8a-2q34A:
undetectable
4xk8a-2q34A:
15.55
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE


(Thermotoga
maritima)
PF00342
(PGI)
4 TRP A 274
ALA A  83
LEU A  84
GLY A 206
None
0.80A 4xk8a-2q8nA:
undetectable
4xk8a-2q8nA:
19.29
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.
2qyf MAD2L1-BINDING
PROTEIN


(Homo sapiens)
PF06581
(p31comet)
4 PHE B  60
ARG B 249
ALA B 173
LEU B 172
None
0.97A 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
1.00A 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.
2wkn FORMAMIDASE

(Delftia
acidovorans)
PF03069
(FmdA_AmdA)
4 SER A 363
ALA A 331
LEU A 375
GLY A 360
None
0.88A 4xk8a-2wknA:
undetectable
4xk8a-2wknA:
19.36
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.
2wqk 5'-NUCLEOTIDASE SURE

(Aquifex
aeolicus)
PF01975
(SurE)
4 PHE A 125
ALA A  19
LEU A  20
GLY A  92
None
0.96A 4xk8a-2wqkA:
undetectable
4xk8a-2wqkA:
15.26
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.
2xhz ARABINOSE
5-PHOSPHATE
ISOMERASE


(Escherichia
coli)
PF01380
(SIS)
4 MET A  67
PHE A  71
ALA A 177
LEU A 178
None
1.01A 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.
2y4l MANNOSYLGLYCERATE
SYNTHASE


(Rhodothermus
marinus)
no annotation 4 SER A 157
ALA A 378
LEU A 149
GLY A 146
None
0.91A 4xk8a-2y4lA:
undetectable
4xk8a-2y4lA:
18.13
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE


(Comamonas
testosteroni)
PF00106
(adh_short)
4 ARG A  43
ALA A  39
LEU A  42
GLY A  55
None
0.72A 4xk8a-2y93A:
undetectable
4xk8a-2y93A:
16.51
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK)
PF00202
(Aminotran_3)
5 PHE A 348
ARG A 259
ALA A 416
LEU A 417
GLY A 345
None
1.26A 4xk8a-2ykyA:
undetectable
4xk8a-2ykyA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ylz PHENYLACETONE
MONOOXYGENASE


(Thermobifida
fusca)
PF13738
(Pyr_redox_3)
4 MET A 148
PHE A 433
SER A 150
GLY A 436
None
None
FAD  A 700 (-4.9A)
None
1.00A 4xk8a-2ylzA:
undetectable
4xk8a-2ylzA:
21.88
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.
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
1.02A 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.
3beh MLL3241 PROTEIN

(Mesorhizobium
loti)
PF07885
(Ion_trans_2)
4 PHE A 214
ALA A 207
LEU A 210
GLY A 213
None
0.97A 4xk8a-3behA:
undetectable
4xk8a-3behA:
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.
3ch2 SERINE-REPEAT
ANTIGEN PROTEIN


(Plasmodium
falciparum)
PF00112
(Peptidase_C1)
4 PHE X 811
SER X 708
ALA X 760
GLY X 756
None
0.97A 4xk8a-3ch2X:
undetectable
4xk8a-3ch2X:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cnh HYDROLASE FAMILY
PROTEIN


(Deinococcus
radiodurans)
PF13419
(HAD_2)
4 TRP A  19
ALA A  46
LEU A  49
GLY A 110
None
0.80A 4xk8a-3cnhA:
undetectable
4xk8a-3cnhA:
13.46
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 SER A 604
ALA A 521
LEU A 520
GLY A 600
None
0.94A 4xk8a-3dduA:
undetectable
4xk8a-3dduA:
24.10
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.
3ghy KETOPANTOATE
REDUCTASE PROTEIN


(Ralstonia
solanacearum)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 SER A 174
ALA A 181
LEU A 166
GLY A 167
None
0.81A 4xk8a-3ghyA:
undetectable
4xk8a-3ghyA:
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.
3i83 2-DEHYDROPANTOATE
2-REDUCTASE


(Methylococcus
capsulatus)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 SER A 156
ALA A 163
LEU A 148
GLY A 149
None
0.73A 4xk8a-3i83A:
undetectable
4xk8a-3i83A:
15.81
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.
3jwe MGLL PROTEIN

(Homo sapiens)
PF12146
(Hydrolase_4)
4 PHE A 219
ALA A 226
LEU A 223
GLY A 220
None
None
F4P  A 314 ( 4.3A)
None
0.99A 4xk8a-3jweA:
undetectable
4xk8a-3jweA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.96A 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.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE


(Campylobacter
jejuni)
PF00278
(Orn_DAP_Arg_deC)
4 PHE A 102
ALA A 159
LEU A 120
GLY A 121
None
0.95A 4xk8a-3n29A:
undetectable
4xk8a-3n29A:
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.
3ps0 CRISPR-ASSOCIATED
PROTEIN, CSA2


(Sulfolobus
solfataricus)
PF01905
(DevR)
4 PHE A 186
ALA A  54
LEU A 139
GLY A 140
None
0.87A 4xk8a-3ps0A:
undetectable
4xk8a-3ps0A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rlf MALTOSE TRANSPORT
SYSTEM PERMEASE
PROTEIN MALG
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK


(Escherichia
coli)
PF00005
(ABC_tran)
PF00528
(BPD_transp_1)
PF08402
(TOBE_2)
4 ARG A 146
ALA G 191
LEU G 194
GLY A  78
None
1.01A 4xk8a-3rlfA:
undetectable
4xk8a-3rlfA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Streptococcus
mutans)
PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C)
4 SER A  12
ALA A  41
LEU A  42
GLY A 154
None
0.94A 4xk8a-3sqzA:
undetectable
4xk8a-3sqzA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Streptococcus
mutans)
PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C)
4 SER A  13
ALA A  41
LEU A  42
GLY A 154
None
0.72A 4xk8a-3sqzA:
undetectable
4xk8a-3sqzA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tzw POLYKETIDE SYNTHASE
PKS13


(Mycobacterium
tuberculosis)
PF00698
(Acyl_transf_1)
4 ARG A 690
ALA A 642
LEU A 689
GLY A 688
None
0.91A 4xk8a-3tzwA:
undetectable
4xk8a-3tzwA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0l GLUCOKINASE

(Xenopus laevis)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 PHE A 141
ALA A 194
LEU A 139
GLY A 140
None
0.97A 4xk8a-3w0lA:
undetectable
4xk8a-3w0lA:
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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE


(Aquifex
aeolicus)
PF03841
(SelA)
4 PHE A 147
ALA A 311
LEU A 314
GLY A 144
None
0.93A 4xk8a-3w1hA:
undetectable
4xk8a-3w1hA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE


(Aquifex
aeolicus)
PF03841
(SelA)
4 PHE A 147
ALA A 311
LEU A 314
GLY A 144
None
0.91A 4xk8a-3w1jA:
undetectable
4xk8a-3w1jA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE


(Bifidobacterium
longum)
PF07944
(Glyco_hydro_127)
4 PHE A 467
SER A 465
LEU A 536
GLY A 471
None
1.02A 4xk8a-3wrfA:
0.5
4xk8a-3wrfA:
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.
4a01 PROTON
PYROPHOSPHATASE


(Vigna radiata)
PF03030
(H_PPase)
4 PHE A 108
ALA A 137
LEU A 136
GLY A 112
None
0.93A 4xk8a-4a01A:
undetectable
4xk8a-4a01A:
23.60
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.
4cuk D-LACTATE
DEHYDROGENASE


(Salmonella
enterica)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 MET A 142
PHE A 166
ALA A 159
GLY A 165
None
0.83A 4xk8a-4cukA:
undetectable
4xk8a-4cukA:
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.
4eun THERMORESISTANT
GLUCOKINASE


(Janibacter sp.
HTCC2649)
PF01202
(SKI)
4 MET A 127
PHE A 126
SER A  15
ALA A  37
None
0.67A 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.
4gpc HEME OXYGENASE

(Corynebacterium
diphtheriae)
PF01126
(Heme_oxygenase)
4 MET A  29
PHE A  28
SER A  26
GLY A 212
BLA  A 901 (-3.6A)
None
None
None
0.81A 4xk8a-4gpcA:
undetectable
4xk8a-4gpcA:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hrt GLOBIN-2 A CHAIN

(Scapharca
inaequivalvis)
PF00042
(Globin)
4 PHE A 111
ALA A 148
LEU A 149
GLY A 108
HEM  A 201 (-3.8A)
None
None
None
1.02A 4xk8a-4hrtA:
undetectable
4xk8a-4hrtA:
11.05
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 MET A 534
PHE A 532
ALA A 506
GLY A 531
None
0.65A 4xk8a-4i3gA:
undetectable
4xk8a-4i3gA:
22.58
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.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE


(Pyrococcus
furiosus)
PF02463
(SMC_N)
4 MET A 808
PHE A 804
ALA A 145
GLY A 801
None
0.80A 4xk8a-4ncjA:
undetectable
4xk8a-4ncjA:
17.22
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE


(Geobacter
sulfurreducens)
PF00171
(Aldedh)
PF01619
(Pro_dh)
4 PHE A  17
ARG A 361
ALA A 365
GLY A  14
None
0.86A 4xk8a-4nmeA:
undetectable
4xk8a-4nmeA:
21.58
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.
4o9u NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA


(Thermus
thermophilus)
PF02233
(PNTB)
4 PHE B 220
ALA B 116
LEU B 120
GLY B 121
None
0.99A 4xk8a-4o9uB:
undetectable
4xk8a-4o9uB:
21.13
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.
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.
4pfr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Rhodobacter
sphaeroides)
PF03480
(DctP)
4 PHE A  45
ALA A 137
LEU A 138
GLY A 257
None
0.85A 4xk8a-4pfrA:
undetectable
4xk8a-4pfrA:
18.54
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.
4pph CONGLUTIN GAMMA

(Lupinus
angustifolius)
PF14541
(TAXi_C)
PF14543
(TAXi_N)
4 SER A 105
ALA A 119
LEU A 118
GLY A 102
EDO  A 509 ( 4.9A)
None
None
None
1.01A 4xk8a-4pphA:
undetectable
4xk8a-4pphA:
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1


(Mycobacterium
tuberculosis)
PF00768
(Peptidase_S11)
4 PHE A 330
ALA A 323
LEU A 326
GLY A 329
None
0.98A 4xk8a-4pprA:
undetectable
4xk8a-4pprA:
18.30
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.
4r9o PUTATIVE ALDO/KETO
REDUCTASE


(Salmonella
enterica)
PF00248
(Aldo_ket_red)
4 PHE A  64
ALA A  71
LEU A  68
GLY A  65
None
0.79A 4xk8a-4r9oA:
undetectable
4xk8a-4r9oA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY


(Trichormus
variabilis)
PF13458
(Peripla_BP_6)
4 SER A 205
ALA A 257
LEU A 282
GLY A 279
None
0.97A 4xk8a-4rdcA:
undetectable
4xk8a-4rdcA:
18.59
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)
8 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
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)
PQN  A5001 ( 4.0A)
0.30A 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)
0.49A 4xk8a-4rkuB:
34.5
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.
4roq MALYL-COA
LYASE/BETA-METHYLMAL
YL-COA LYASE


(Methylobacterium
extorquens)
PF03328
(HpcH_HpaI)
4 PHE A 250
ARG A 223
ALA A 160
GLY A 252
None
1.00A 4xk8a-4roqA:
undetectable
4xk8a-4roqA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN


(Vibrio cholerae)
PF13531
(SBP_bac_11)
4 SER A 105
ALA A 195
LEU A 196
GLY A 248
None
0.86A 4xk8a-4rxlA:
undetectable
4xk8a-4rxlA:
14.36
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.
4usc PEROXIDASE

(Trachycarpus
fortunei)
PF00141
(peroxidase)
4 ARG A 123
ALA A 102
LEU A 101
GLY A  51
None
1.01A 4xk8a-4uscA:
undetectable
4xk8a-4uscA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xu4 UNCHARACTERIZED
PROTEIN


(Mycolicibacterium
vanbaalenii)
no annotation 4 PHE A 171
ALA A  61
LEU A  60
GLY A 172
DDQ  A 303 (-3.5A)
None
None
None
0.94A 4xk8a-4xu4A:
undetectable
4xk8a-4xu4A:
13.61
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.
5a2o NITRATE TRANSPORTER
1.1


(Arabidopsis
thaliana)
PF00854
(PTR2)
4 PHE A 429
ALA A 477
LEU A 478
GLY A 426
None
0.81A 4xk8a-5a2oA:
undetectable
4xk8a-5a2oA:
24.06
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650)
PF13649
(Methyltransf_25)
4 ARG A 243
ALA A 133
LEU A 142
GLY A 241
None
0.96A 4xk8a-5bszA:
undetectable
4xk8a-5bszA:
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.
5egn ESTERASE

(uncultured
bacterium)
PF12697
(Abhydrolase_6)
4 PHE A 142
ALA A 149
LEU A 146
GLY A 143
None
1.00A 4xk8a-5egnA:
undetectable
4xk8a-5egnA:
15.93
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.
5f9k DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE


(Dictyostelium
discoideum)
PF00692
(dUTPase)
4 SER A  31
ALA A  43
LEU A  44
GLY A  89
None
1.02A 4xk8a-5f9kA:
undetectable
4xk8a-5f9kA:
11.40
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8)
4 PHE B 245
ARG B 220
ALA B 195
GLY B 222
None
0.81A 4xk8a-5gqrB:
undetectable
4xk8a-5gqrB:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hcc COMPLEMENT C5

(Homo sapiens)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
4 SER B 556
ALA B 649
LEU B 648
GLY B 639
None
0.97A 4xk8a-5hccB:
undetectable
4xk8a-5hccB:
21.02
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.
5l75 FIG000906: PREDICTED
PERMEASE


(Klebsiella
pneumoniae)
PF03739
(YjgP_YjgQ)
4 PHE G 319
ALA G  72
LEU G  73
GLY G 316
None
0.81A 4xk8a-5l75G:
2.0
4xk8a-5l75G:
19.11
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)


(Agrobacterium
fabrum)
PF13416
(SBP_bac_8)
4 PHE A 266
ALA A 192
LEU A 191
GLY A 264
None
1.01A 4xk8a-5l9sA:
undetectable
4xk8a-5l9sA:
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.
5ol2 ACYL-COA
DEHYDROGENASE


(Clostridioides
difficile)
no annotation 4 ARG C 350
ALA C  27
LEU C  30
GLY C 205
None
0.86A 4xk8a-5ol2C:
2.3
4xk8a-5ol2C:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Synechocystis
sp. PCC 6803)
no annotation 8 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
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)
PQN  1 842 ( 3.9A)
0.27A 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)
0.59A 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.
5tir SUPEROXIDE DISMUTASE

(Trichoderma
reesei)
no annotation 4 PHE A   6
ALA A  45
LEU A  46
GLY A   4
None
0.94A 4xk8a-5tirA:
undetectable
4xk8a-5tirA:
13.29
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.
5tr1 CHLORIDE CHANNEL
PROTEIN


(Bos taurus)
PF00654
(Voltage_CLC)
4 MET A 421
SER A 107
ALA A 156
LEU A 155
None
0.98A 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.
5v8k P800 REACTION CENTER
CORE PROTEIN


(Heliobacterium
modesticaldum)
PF00223
(PsaA_PsaB)
4 ARG A 551
ALA A 580
LEU A 581
GLY A 586
None
AOH  A1003 ( 4.9A)
None
None
0.60A 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.
5v8k P800 REACTION CENTER
CORE PROTEIN


(Heliobacterium
modesticaldum)
PF00223
(PsaA_PsaB)
4 SER A 545
ARG A 551
ALA A 580
GLY A 586
AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
0.88A 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.
5voh NADH OXIDASE

(Lactobacillus
brevis)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 SER A 336
ALA A 343
LEU A 339
GLY A 386
None
0.99A 4xk8a-5vohA:
undetectable
4xk8a-5vohA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wml -

(-)
no annotation 4 MET A 364
ALA A 350
LEU A 353
GLY A 358
None
0.88A 4xk8a-5wmlA:
undetectable
4xk8a-5wmlA:
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.
5x7v NUCLEOSOME ASSEMBLY
PROTEIN


(Plasmodium
falciparum)
PF00956
(NAP)
4 PHE A 123
TRP A  80
ALA A  81
LEU A 101
None
0.94A 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.
5xfo PHD FINGER PROTEIN 1

(Homo sapiens)
PF00628
(PHD)
4 PHE A 316
ALA A 333
LEU A 331
GLY A 330
None
0.85A 4xk8a-5xfoA:
undetectable
4xk8a-5xfoA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xn7 PUTATIVE RTX-TOXIN

(Vibrio
vulnificus)
PF11647
(MLD)
4 PHE A2871
ALA A2878
LEU A2875
GLY A2872
None
0.91A 4xk8a-5xn7A:
undetectable
4xk8a-5xn7A:
21.65
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.
5yqr ENDOLYSIN/MEMBRANE-A
NCHORED
LIPID-BINDING
PROTEIN LAM6 FUSION
PROTEIN


(Escherichia
virus T4;
Saccharomyces
cerevisiae)
no annotation 4 MET A   6
SER A   1
TRP A 158
GLY A1159
None
0.80A 4xk8a-5yqrA:
undetectable
4xk8a-5yqrA:
7.56
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3


(Saccharomyces
cerevisiae)
no annotation 4 PHE A 149
ALA A 142
LEU A 145
GLY A 148
None
1.01A 4xk8a-6c26A:
undetectable
4xk8a-6c26A:
7.46
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 5 MET A 681
PHE A 682
ARG A 687
TRP A 690
ALA A 714
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
0.70A 4xk8a-6fosA:
42.2
4xk8a-6fosA:
82.50
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 6 MET A 681
PHE A 682
TRP A 690
ALA A 714
LEU A 715
GLY A 720
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
0.58A 4xk8a-6fosA:
42.2
4xk8a-6fosA:
82.50
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 4 SER A 685
ARG A 687
TRP A 690
ALA A 714
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
0.89A 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)
0.82A 4xk8a-6fosB:
27.3
4xk8a-6fosB:
7.28