SIMILAR PATTERNS OF AMINO ACIDS FOR 3LW5_B_PQNB5002_1

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.
1g6o CAG-ALPHA

(Helicobacter
pylori)
PF00437
(T2SSE)
5 PHE A  84
ARG A  29
ALA A 109
LEU A  28
ALA A  31
None
1.11A 3lw5B-1g6oA:
undetectable
3lw5B-1g6oA:
18.94
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus)
PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim)
5 PHE B 789
SER B 790
ALA B 798
LEU B 879
ALA B 783
None
1.43A 3lw5B-1gl9B:
0.0
3lw5B-1gl9B:
20.89
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.
1iho PANTOATE--BETA-ALANI
NE LIGASE


(Escherichia
coli)
PF02569
(Pantoate_ligase)
5 ILE A 177
PHE A 238
ALA A 272
LEU A 274
ALA A 267
None
1.21A 3lw5B-1ihoA:
undetectable
3lw5B-1ihoA:
17.17
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus)
PF00405
(Transferrin)
5 MET A 468
ARG A 460
TRP A 464
ALA A 457
ALA A 462
None
1.23A 3lw5B-1iq7A:
undetectable
3lw5B-1iq7A:
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum)
PF01425
(Amidase)
5 ILE A 157
PHE A 213
ALA A 401
LEU A 400
ALA A 201
None
1.20A 3lw5B-1ocmA:
0.0
3lw5B-1ocmA:
20.92
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.
1qo4 PEROXIDASE

(Arabidopsis
thaliana)
PF00141
(peroxidase)
5 ILE A 138
ARG A 123
ALA A 102
LEU A 101
ALA A  51
None
1.42A 3lw5B-1qo4A:
undetectable
3lw5B-1qo4A:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 ILE A 203
PHE A 235
SER A 225
ALA A 238
LEU A 237
None
1.33A 3lw5B-1tqyA:
0.1
3lw5B-1tqyA:
20.56
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.
1ujj ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA1


(Homo sapiens)
PF00790
(VHS)
5 ILE A  64
PHE A  90
ALA A  47
LEU A  51
ALA A  52
None
1.32A 3lw5B-1ujjA:
undetectable
3lw5B-1ujjA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e27 ANTI-CIGUATOXIN
ANTIBODY, HEAVY
CHAIN


(Mus musculus)
PF07686
(V-set)
5 ILE H  48
SER H 113
ALA H  16
LEU H 823
ALA H  83
None
1.41A 3lw5B-2e27H:
undetectable
3lw5B-2e27H:
10.78
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE


(Azoarcus)
PF13561
(adh_short_C2)
5 ILE A 162
ARG A 135
ALA A 232
LEU A 227
ALA A 224
None
1.25A 3lw5B-2ewmA:
undetectable
3lw5B-2ewmA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL


(Rattus
norvegicus)
PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N)
5 ILE A 115
MET A  62
PHE A  76
ALA A 240
LEU A 242
None
1.35A 3lw5B-2f43A:
undetectable
3lw5B-2f43A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN
ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA


(Escherichia
coli)
PF01039
(Carboxyl_trans)
PF03255
(ACCA)
5 ILE A 264
SER B 209
ALA A 210
LEU A 209
ALA B 178
None
1.33A 3lw5B-2f9yA:
undetectable
3lw5B-2f9yA:
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima)
PF01131
(Topoisom_bac)
PF01751
(Toprim)
5 PHE A 260
SER A 261
ALA A 269
LEU A 360
ALA A 254
None
1.40A 3lw5B-2gaiA:
undetectable
3lw5B-2gaiA:
20.90
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.
2o2q FORMYLTETRAHYDROFOLA
TE DEHYDROGENASE


(Rattus
norvegicus)
PF00171
(Aldedh)
5 ILE A 506
PHE A 530
ARG A 491
ALA A 616
ALA A 493
None
1.41A 3lw5B-2o2qA:
undetectable
3lw5B-2o2qA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE


(Escherichia
coli)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ILE A 314
PHE A 234
SER A 237
ALA A 209
LEU A 208
None
1.34A 3lw5B-2q27A:
undetectable
3lw5B-2q27A:
23.08
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.
2v4y URIDYLATE KINASE

(Escherichia
coli)
PF00696
(AA_kinase)
5 ILE A  33
PHE A 218
ARG A 227
LEU A 226
ALA A 225
None
1.30A 3lw5B-2v4yA:
undetectable
3lw5B-2v4yA:
16.05
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.
2vd5 DMPK PROTEIN

(Homo sapiens)
PF00069
(Pkinase)
5 ILE A 196
PHE A 339
ALA A 172
LEU A 176
ALA A 177
None
1.43A 3lw5B-2vd5A:
undetectable
3lw5B-2vd5A:
21.80
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.
2x5d PROBABLE
AMINOTRANSFERASE


(Pseudomonas
aeruginosa)
PF00155
(Aminotran_1_2)
5 ILE A  39
PHE A 394
ARG A 315
LEU A 314
ALA A 317
None
1.16A 3lw5B-2x5dA:
undetectable
3lw5B-2x5dA:
18.40
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.
2yvi ANKYRIN-1

(Homo sapiens)
PF00531
(Death)
5 ILE A1480
PHE A1428
ALA A1450
LEU A1451
ALA A1423
None
1.31A 3lw5B-2yviA:
undetectable
3lw5B-2yviA:
10.20
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.
2yvq CARBAMOYL-PHOSPHATE
SYNTHASE


(Homo sapiens)
PF02142
(MGS)
5 ILE A1432
PHE A1374
ALA A1474
LEU A1381
ALA A1378
None
1.30A 3lw5B-2yvqA:
undetectable
3lw5B-2yvqA:
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus)
PF00067
(p450)
5 ILE A 159
ARG A 193
ALA A 197
LEU A 196
ALA A 176
None
VDX  A 501 (-3.5A)
None
None
None
1.27A 3lw5B-2zbzA:
undetectable
3lw5B-2zbzA:
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus)
PF00067
(p450)
5 ILE A 159
PHE A 172
ALA A 197
LEU A 196
ALA A 176
None
1.36A 3lw5B-2zbzA:
undetectable
3lw5B-2zbzA:
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.
3d6k PUTATIVE
AMINOTRANSFERASE


(Corynebacterium
diphtheriae)
PF12897
(Aminotran_MocR)
5 PHE A 249
TRP A  82
ALA A  83
LEU A  88
ALA A 267
None
1.27A 3lw5B-3d6kA:
undetectable
3lw5B-3d6kA:
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.
3da2 CARBONIC ANHYDRASE
13


(Homo sapiens)
PF00194
(Carb_anhydrase)
5 ILE A  23
PHE A 132
ALA A 143
LEU A 142
ALA A 135
None
4MD  A 401 (-4.6A)
None
None
None
1.06A 3lw5B-3da2A:
undetectable
3lw5B-3da2A:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE


(Rhodopseudomonas
palustris)
PF00701
(DHDPS)
5 MET A 198
ARG A 228
ALA A 226
LEU A 223
ALA A 232
None
1.37A 3lw5B-3eb2A:
undetectable
3lw5B-3eb2A:
17.07
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE


(Arabidopsis
thaliana)
PF00155
(Aminotran_1_2)
5 PHE A 274
SER A 267
TRP A 281
ALA A 311
ALA A 319
None
PLP  A 433 (-2.5A)
None
None
None
1.30A 3lw5B-3ei8A:
undetectable
3lw5B-3ei8A:
19.89
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.
3gc6 ECTO-NAD+
GLYCOHYDROLASE (CD38
MOLECULE)


(Bos taurus)
PF02267
(Rib_hydrolayse)
5 ILE A 213
SER A 243
ALA A 230
LEU A 200
ALA A 207
SO4  A 281 (-3.9A)
None
None
None
None
1.27A 3lw5B-3gc6A:
undetectable
3lw5B-3gc6A:
14.72
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE


(Aspergillus
parasiticus)
PF14765
(PS-DH)
5 ILE A1613
PHE A1526
SER A1531
ALA A1537
LEU A1580
None
1.31A 3lw5B-3hrrA:
undetectable
3lw5B-3hrrA:
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.
3ijl MUCONATE
CYCLOISOMERASE


(Bacteroides
thetaiotaomicron)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 MET A 327
SER A  90
ALA A 139
LEU A 299
ALA A 333
DGL  A 385 ( 3.6A)
None
None
None
None
1.32A 3lw5B-3ijlA:
undetectable
3lw5B-3ijlA:
19.53
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.
3j7a 40S RIBOSOMAL
PROTEIN US2


(Plasmodium
falciparum)
PF00318
(Ribosomal_S2)
5 ILE C 160
MET C 200
PHE C 201
ALA C  90
ALA C  85
None
1.38A 3lw5B-3j7aC:
undetectable
3lw5B-3j7aC:
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN


(Klebsiella
pneumoniae)
PF00149
(Metallophos)
5 MET A 272
PHE A 240
ALA A 258
LEU A 265
ALA A 270
None
1.24A 3lw5B-3jyfA:
undetectable
3lw5B-3jyfA:
18.05
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 ILE A  22
PHE A 131
ALA A 142
LEU A 141
ALA A 134
None
AZM  A 264 (-4.4A)
None
None
None
0.98A 3lw5B-3ml5A:
undetectable
3lw5B-3ml5A:
18.22
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE


(Bacteroides
ovatus)
PF06824
(Glyco_hydro_125)
5 SER A 308
ARG A 292
ALA A 315
LEU A 291
ALA A 294
None
1.42A 3lw5B-3p2cA:
undetectable
3lw5B-3p2cA:
19.28
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE


(Bacillus
anthracis)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
5 ILE A 264
PHE A 239
ALA A 177
LEU A 237
ALA A 238
None
1.33A 3lw5B-3pdkA:
undetectable
3lw5B-3pdkA:
20.41
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.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE


(Entamoeba
histolytica)
PF01048
(PNP_UDP_1)
5 ILE A  93
PHE A  82
ALA A 188
LEU A 189
ALA A  78
None
1.40A 3lw5B-3tl6A:
undetectable
3lw5B-3tl6A:
14.68
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.
3tot GLUTATHIONE
S-TRANSFERASE
PROTEIN


(Ralstonia
solanacearum)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 ILE A   6
SER A  76
ALA A  22
LEU A  21
ALA A  72
None
1.43A 3lw5B-3totA:
undetectable
3lw5B-3totA:
14.47
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.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 ILE A 143
PHE A 156
SER A 218
ALA A 115
LEU A 147
None
1.24A 3lw5B-3uyqA:
undetectable
3lw5B-3uyqA:
16.85
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct)
PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd)
5 PHE A 113
SER A 114
ALA A  65
LEU A  70
ALA A  71
None
1.42A 3lw5B-3wfpA:
undetectable
3lw5B-3wfpA:
17.53
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E


(Streptomyces
lasaliensis)
PF02353
(CMAS)
5 ILE A 295
PHE A 198
ARG A 200
ALA A 175
LEU A 199
None
1.40A 3lw5B-4f85A:
undetectable
3lw5B-4f85A:
17.41
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.
4fo0 ACTIN-RELATED
PROTEIN 8


(Homo sapiens)
PF00022
(Actin)
5 ILE A 252
PHE A 622
ARG A 617
LEU A 616
ALA A 620
None
1.41A 3lw5B-4fo0A:
undetectable
3lw5B-4fo0A:
21.40
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron)
PF00657
(Lipase_GDSL)
5 ILE A 125
SER A  31
TRP A  30
ALA A  84
LEU A  85
None
1.41A 3lw5B-4h08A:
undetectable
3lw5B-4h08A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN


(Pseudomonas)
PF01804
(Penicil_amidase)
5 ILE B 231
SER B 483
ALA B  19
LEU B  18
ALA B  65
None
1.42A 3lw5B-4hstB:
undetectable
3lw5B-4hstB:
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.
4iqg SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR


(Polaromonas sp.
JS666)
no annotation 5 ILE C 164
PHE C  71
ALA C  83
LEU C  84
ALA C 123
None
1.37A 3lw5B-4iqgC:
undetectable
3lw5B-4iqgC:
16.69
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.
4j0k TANNASE

(Lactobacillus
plantarum)
no annotation 5 ILE A 206
TRP A 447
ALA A 444
LEU A 445
ALA A 417
EGR  A 501 (-4.0A)
None
None
None
None
1.39A 3lw5B-4j0kA:
undetectable
3lw5B-4j0kA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE


(Saccharomyces
cerevisiae)
PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N)
5 ILE A  75
PHE A 376
SER A 414
ALA A 408
LEU A 407
None
1.33A 3lw5B-4j5tA:
undetectable
3lw5B-4j5tA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lcm TRANSESTERASE

(Aspergillus
terreus)
PF00144
(Beta-lactamase)
5 ILE A 215
PHE A 384
ARG A  73
ALA A  75
LEU A  74
None
1.26A 3lw5B-4lcmA:
undetectable
3lw5B-4lcmA:
19.07
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.
4lqk PROTEIN A46

(Vaccinia virus)
no annotation 5 ILE C 160
PHE C  91
SER C  90
ALA C  96
LEU C  95
None
1.23A 3lw5B-4lqkC:
undetectable
3lw5B-4lqkC:
11.87
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.
4mi2 PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE


(Mycobacteroides
abscessus)
PF00378
(ECH_1)
5 ILE A 103
PHE A  65
ALA A 118
LEU A 122
ALA A 123
None
1.35A 3lw5B-4mi2A:
undetectable
3lw5B-4mi2A:
16.90
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.
4mx2 ADENYLOSUCCINATE
LYASE


(Leishmania
donovani)
PF00206
(Lyase_1)
PF08328
(ASL_C)
5 ILE A 213
PHE A 333
ALA A 382
LEU A 386
ALA A 298
None
1.43A 3lw5B-4mx2A:
1.5
3lw5B-4mx2A:
21.18
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.
4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Desulfovibrio
salexigens)
PF03480
(DctP)
5 ILE A 160
MET A 220
PHE A 222
ALA A 201
LEU A 202
None
1.29A 3lw5B-4nn3A:
undetectable
3lw5B-4nn3A:
18.55
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.
4o6z SERINE
HYDROXYMETHYLTRANSFE
RASE


(Plasmodium
falciparum)
PF00464
(SHMT)
5 ILE A 238
ARG A  80
ALA A 282
LEU A 285
ALA A  81
None
1.23A 3lw5B-4o6zA:
undetectable
3lw5B-4o6zA:
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.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN


(Escherichia
coli;
Mus musculus)
PF00225
(Kinesin)
PF13416
(SBP_bac_8)
5 ILE A 580
PHE A 471
ALA A 464
LEU A 467
ALA A 470
None
1.11A 3lw5B-4ozqA:
1.3
3lw5B-4ozqA:
21.62
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.
4pls ARM00010

(synthetic
construct)
PF00514
(Arm)
5 ILE A  46
SER A  63
ALA A  57
LEU A  58
ALA A  73
None
1.43A 3lw5B-4plsA:
undetectable
3lw5B-4plsA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 ILE A  22
PHE A 131
ALA A 142
LEU A 141
ALA A 134
None
1.06A 3lw5B-4qk3A:
undetectable
3lw5B-4qk3A:
14.85
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.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE


(Streptomyces
cyanogenus;
Streptomyces
fradiae)
PF06722
(DUF1205)
5 ILE A   3
MET A  91
ALA A  98
LEU A  99
ALA A 119
None
1.32A 3lw5B-4rihA:
undetectable
3lw5B-4rihA:
19.86
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)
0.77A 3lw5B-4rkuA:
12.2
3lw5B-4rkuA:
45.36
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)
6 ILE B  21
MET B 662
PHE B 663
SER B 666
LEU B 700
ALA B 705
CLA  A1131 ( 4.4A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
1.48A 3lw5B-4rkuB:
15.5
3lw5B-4rkuB:
98.77
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)
9 ILE B  25
MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
CLA  B1201 ( 4.7A)
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)
PQN  B5002 (-3.4A)
0.59A 3lw5B-4rkuB:
15.5
3lw5B-4rkuB:
98.77
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 ILE B  25
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
CLA  B1201 ( 4.7A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
1.27A 3lw5B-4rkuB:
15.5
3lw5B-4rkuB:
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.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes)
PF02457
(DisA_N)
5 ILE A  44
SER A 129
ARG A 103
ALA A  30
ALA A 107
None
None
ATP  A1001 (-3.5A)
None
None
1.39A 3lw5B-4rv7A:
undetectable
3lw5B-4rv7A:
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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN


(Yersinia pestis)
PF00149
(Metallophos)
5 MET A 295
PHE A 263
ALA A 281
LEU A 288
ALA A 293
None
1.32A 3lw5B-5eqvA:
undetectable
3lw5B-5eqvA:
18.79
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.
5ex1 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN TYPE


(Hirschia
baltica)
PF00160
(Pro_isomerase)
5 ILE A  32
MET A 153
PHE A 183
ALA A  61
ALA A  56
None
1.36A 3lw5B-5ex1A:
undetectable
3lw5B-5ex1A:
15.58
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus)
PF00194
(Carb_anhydrase)
5 ILE X  21
PHE X 129
ALA X 140
LEU X 139
ALA X 132
None
1.07A 3lw5B-5eztX:
undetectable
3lw5B-5eztX:
15.62
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.
5h1k GEM-ASSOCIATED
PROTEIN 5


(Homo sapiens)
PF00400
(WD40)
PF12894
(ANAPC4_WD40)
5 ILE A 628
SER A 657
TRP A 667
ALA A 669
ALA A 601
None
1.40A 3lw5B-5h1kA:
undetectable
3lw5B-5h1kA:
23.83
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803)
no annotation 5 ILE A 506
PHE A 520
SER A 521
LEU A 558
ALA A 515
None
1.25A 3lw5B-5h3kA:
undetectable
3lw5B-5h3kA:
23.77
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.
5hot INTEGRASE

(Human
immunodeficiency
virus 1)
PF00552
(IN_DBD_C)
PF00665
(rve)
5 ILE A  84
TRP A 132
ALA A  98
LEU A 101
ALA A 105
None
1.40A 3lw5B-5hotA:
undetectable
3lw5B-5hotA:
16.20
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.
5j4r WELO5

(Hapalosiphon
welwitschii)
no annotation 5 ILE A 127
PHE A 279
SER A 185
LEU A 188
ALA A 278
None
1.35A 3lw5B-5j4rA:
undetectable
3lw5B-5j4rA:
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.
5l51 (-)-MENTHONE:(+)-NEO
MENTHOL REDUCTASE


(Mentha x
piperita)
PF00106
(adh_short)
PF13561
(adh_short_C2)
5 ILE A 172
SER A 191
ARG A 256
ALA A 253
ALA A 269
None
1.40A 3lw5B-5l51A:
undetectable
3lw5B-5l51A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5li8 PUTATIVE CYTOCHROME
P450 126


(Mycobacterium
tuberculosis)
PF00067
(p450)
5 ILE A 290
PHE A 145
ARG A 259
ALA A 151
ALA A 263
None
1.32A 3lw5B-5li8A:
undetectable
3lw5B-5li8A:
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.
5m23 WD REPEAT-CONTAINING
PROTEIN 5


(Homo sapiens)
PF00400
(WD40)
5 ILE A 285
PHE A 219
SER A 189
LEU A 230
ALA A 232
None
1.34A 3lw5B-5m23A:
undetectable
3lw5B-5m23A:
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.
5mbh BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE


(Beggiatoa sp.
PS)
PF00211
(Guanylate_cyc)
PF04940
(BLUF)
5 ILE A 188
PHE A 292
ALA A 329
LEU A 290
ALA A 291
None
1.29A 3lw5B-5mbhA:
undetectable
3lw5B-5mbhA:
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.
5mwn TYPE VI SECRETION
PROTEIN


(Escherichia
coli)
PF05936
(T6SS_VasE)
5 PHE A  49
ARG A  63
ALA A  46
LEU A  64
ALA A  61
None
1.42A 3lw5B-5mwnA:
undetectable
3lw5B-5mwnA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.64A 3lw5B-5oy01:
11.2
3lw5B-5oy01:
7.46
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Synechocystis
sp. PCC 6803)
no annotation 5 ILE b  21
MET b 659
PHE b 660
SER b 663
ALA b 702
None
CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
PQN  b1844 (-3.1A)
1.33A 3lw5B-5oy0b:
12.1
3lw5B-5oy0b:
10.05
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Synechocystis
sp. PCC 6803)
no annotation 9 ILE b  25
MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
LMG  b1851 ( 4.9A)
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)
PQN  b1844 (-3.1A)
0.81A 3lw5B-5oy0b:
12.1
3lw5B-5oy0b:
10.05
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Synechocystis
sp. PCC 6803)
no annotation 6 TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
None
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
1.44A 3lw5B-5oy0b:
12.1
3lw5B-5oy0b:
10.05
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE


(Homo sapiens;
Pyrococcus
abyssi)
PF00001
(7tm_1)
PF00534
(Glycos_transf_1)
5 ILE A 353
PHE A 155
SER A 152
ALA A 342
ALA A 210
None
1.25A 3lw5B-5u09A:
undetectable
3lw5B-5u09A:
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.
5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00106
(adh_short)
5 ILE A 126
ARG A  28
ALA A  24
LEU A  25
ALA A  30
None
1.23A 3lw5B-5u4sA:
undetectable
3lw5B-5u4sA:
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis)
no annotation 5 PHE A 322
SER A 323
ALA A 331
LEU A 419
ALA A 316
None
1.37A 3lw5B-5uj1A:
undetectable
3lw5B-5uj1A:
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.
5ve8 KAP123

(Kluyveromyces
lactis)
no annotation 5 ILE A 557
PHE A 610
SER A 680
ALA A 672
ALA A 603
None
1.29A 3lw5B-5ve8A:
undetectable
3lw5B-5ve8A:
21.31
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.
5vol PUTATIVE ESTERASE

(Bacteroides
intestinalis)
PF00756
(Esterase)
5 ILE A 133
SER A 152
TRP A 270
ALA A 158
LEU A  63
None
1.33A 3lw5B-5volA:
undetectable
3lw5B-5volA:
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.
5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL


(Homo sapiens)
no annotation 5 ILE A 222
PHE A 284
SER A 285
ARG A 259
ALA A 262
None
1.20A 3lw5B-5vxcA:
undetectable
3lw5B-5vxcA:
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.
5wya ISOLEUCINE
2-EPIMERASE


(Lactobacillus
buchneri)
PF00202
(Aminotran_3)
5 ILE A 327
PHE A 111
ALA A  98
LEU A  97
ALA A 290
None
1.25A 3lw5B-5wyaA:
undetectable
3lw5B-5wyaA:
21.15
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.
5x7v NUCLEOSOME ASSEMBLY
PROTEIN


(Plasmodium
falciparum)
PF00956
(NAP)
5 ILE A 166
PHE A 123
TRP A  80
ALA A  81
LEU A 101
None
1.23A 3lw5B-5x7vA:
undetectable
3lw5B-5x7vA:
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.
5xav INTRACELLULAR
POLYHYDROXYALKANOATE
SYNTHASE


(Chromobacterium
sp. USM2)
PF07167
(PhaC_N)
5 ILE A 430
MET A 285
PHE A 312
LEU A 297
ALA A 315
None
1.25A 3lw5B-5xavA:
undetectable
3lw5B-5xavA:
19.81
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.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE


(Plasmodium
vivax)
no annotation 5 ILE A 238
ARG A  80
ALA A 282
LEU A 285
ALA A  81
None
1.26A 3lw5B-5xmrA:
undetectable
3lw5B-5xmrA:
20.19
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.
5yxg PILUS ASSEMBLY
PROTEIN


(Lactobacillus
rhamnosus)
no annotation 5 ILE A 264
PHE A 292
SER A 277
ALA A 253
LEU A 254
None
1.22A 3lw5B-5yxgA:
undetectable
3lw5B-5yxgA:
7.92
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.
6bfi VIN1

(Oscarella
pearsei)
no annotation 5 ILE A 448
PHE A 403
ALA A 385
LEU A 386
ALA A 407
None
1.34A 3lw5B-6bfiA:
3.2
3lw5B-6bfiA:
8.48
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.
6byn WD REPEAT-CONTAINING
PROTEIN 5


(Homo sapiens)
no annotation 5 ILE W 285
PHE W 219
SER W 189
LEU W 230
ALA W 232
None
1.35A 3lw5B-6bynW:
undetectable
3lw5B-6bynW:
9.73
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4


(Homo sapiens)
no annotation 5 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
1.30A 3lw5B-6c0wA:
undetectable
3lw5B-6c0wA:
7.64
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE


(Entamoeba
histolytica)
no annotation 5 ILE A 413
PHE A 468
ALA A 471
LEU A 470
ALA A 451
PEG  A 616 (-4.9A)
None
None
None
None
1.42A 3lw5B-6cc2A:
undetectable
3lw5B-6cc2A:
7.82
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Moorella
thermoacetica)
no annotation 5 ILE A 484
SER A 617
ARG A 528
ALA A 524
ALA A 531
None
0.95A 3lw5B-6cipA:
2.3
3lw5B-6cipA:
7.54
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis)
no annotation 5 ILE A 526
SER A 635
ALA A 641
LEU A 617
ALA A 621
None
1.27A 3lw5B-6co7A:
2.9
3lw5B-6co7A:
6.14
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.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus)
no annotation 5 ILE A1085
SER A 908
ALA A 992
LEU A 981
ALA A 914
None
1.34A 3lw5B-6egtA:
undetectable
3lw5B-6egtA:
20.24
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Cyanidioschyzon
merolae)
no annotation 6 MET A 681
PHE A 682
ARG A 687
TRP A 690
ALA A 714
LEU A 715
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
0.77A 3lw5B-6fosA:
11.4
3lw5B-6fosA:
7.22
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Cyanidioschyzon
merolae)
no annotation 6 PHE A 682
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
0.94A 3lw5B-6fosA:
11.4
3lw5B-6fosA:
7.22
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Cyanidioschyzon
merolae)
no annotation 5 ILE B  21
MET B 660
PHE B 661
SER B 664
ALA B 703
None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.4A)
1.34A 3lw5B-6fosB:
11.5
3lw5B-6fosB:
11.09
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Cyanidioschyzon
merolae)
no annotation 8 ILE B  25
MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
CLA  B1201 ( 4.6A)
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)
0.96A 3lw5B-6fosB:
11.5
3lw5B-6fosB:
11.09
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Cyanidioschyzon
merolae)
no annotation 8 ILE B  25
MET B 660
PHE B 661
SER B 664
TRP B 669
ALA B 697
LEU B 698
ALA B 703
CLA  B1201 ( 4.6A)
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
0.86A 3lw5B-6fosB:
11.5
3lw5B-6fosB:
11.09
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2


(Cyanidioschyzon
merolae)
no annotation 5 SER B 664
TRP B 665
ARG B 666
TRP B 669
ALA B 697
CLA  B1023 (-4.5A)
None
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
1.40A 3lw5B-6fosB:
11.5
3lw5B-6fosB:
11.09