SIMILAR PATTERNS OF AMINO ACIDS FOR 2O01_A_PQNA5001_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.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TRP A 273
PHE A 264
ARG A 274
LEU A 270
 None
 0.94A 2o01A-1bdgA:
undetectable		 2o01A-1bdgA:
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.
1bvs PROTEIN (HOLLIDAY
JUNCTION DNA
HELICASE RUVA)

(Mycobacterium
leprae) 		PF01330
(RuvA_N)
PF07499
(RuvA_C)
PF14520
(HHH_5) 		4 PHE A  62
SER A  63
ALA A  90
LEU A  89
 None
 1.02A 2o01A-1bvsA:
0.0		 2o01A-1bvsA:
14.21
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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		5 TRP A  33
MET A 339
SER A 341
ALA A  30
LEU A  34
 None
 1.38A 2o01A-1cptA:
0.0		 2o01A-1cptA:
20.81
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.
1dk8 AXIN

(Homo sapiens) 		PF00615
(RGS) 		4 PHE A 139
ARG A 140
ALA A 149
LEU A 152
 None
SO4  A 503 (-3.0A)
None
None
 0.85A 2o01A-1dk8A:
undetectable		 2o01A-1dk8A:
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		4 TRP A 168
SER A  90
ALA A  41
LEU A  42
 None
 1.05A 2o01A-1e4oA:
0.0		 2o01A-1e4oA:
22.76
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.
1emu AXIN

(Homo sapiens) 		PF00615
(RGS) 		4 PHE A 139
ARG A 140
ALA A 149
LEU A 152
 None
 0.78A 2o01A-1emuA:
undetectable		 2o01A-1emuA:
10.53
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.
1htj KIAA0380

(Homo sapiens) 		PF09128
(RGS-like) 		5 PHE F 332
SER F 333
ARG F 329
ALA F 456
LEU F 457
 None
 1.35A 2o01A-1htjF:
0.9		 2o01A-1htjF:
14.78
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.
1hz4 MALT REGULATORY
PROTEIN

(Escherichia
coli) 		no annotation 4 TRP A 235
ARG A 237
ALA A 233
LEU A 236
 None
SO4  A 780 (-4.6A)
None
None
 0.97A 2o01A-1hz4A:
1.0		 2o01A-1hz4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		4 PHE A 344
TRP A 347
ALA A  38
LEU A  37
 None
 0.94A 2o01A-1jkmA:
undetectable		 2o01A-1jkmA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2u OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Escherichia
coli) 		PF00215
(OMPdecase) 		4 MET A  49
PHE A  57
ALA A  31
LEU A  30
 None
 1.08A 2o01A-1l2uA:
0.0		 2o01A-1l2uA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 MET A 419
PHE A 415
SER A 420
LEU A 358
 RS7  A 841 ( 4.1A)
RS7  A 841 ( 4.8A)
None
None
 1.05A 2o01A-1loxA:
0.0		 2o01A-1loxA:
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.
1rh9 ENDO-BETA-MANNANASE

(Solanum
lycopersicum) 		PF00150
(Cellulase) 		4 SER A 198
ARG A  86
ALA A 317
LEU A 358
 None
 1.03A 2o01A-1rh9A:
undetectable		 2o01A-1rh9A:
20.45
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 MET A 150
SER A 145
ALA A  70
LEU A  71
 None
 1.07A 2o01A-1rtrA:
1.4		 2o01A-1rtrA:
15.79
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		4 MET A 296
PHE A 292
SER A 380
LEU A  63
 None
 1.04A 2o01A-1w5dA:
0.0		 2o01A-1w5dA:
19.40
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		4 PHE A 292
SER A 380
ALA A  60
LEU A  63
 None
 0.95A 2o01A-1w5dA:
0.0		 2o01A-1w5dA:
19.40
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.
1wdv HYPOTHETICAL PROTEIN
APE2540

(Aeropyrum
pernix) 		PF04073
(tRNA_edit) 		4 MET A  71
ARG A  80
ALA A  82
LEU A  81
 None
 0.91A 2o01A-1wdvA:
undetectable		 2o01A-1wdvA:
12.48
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		4 TRP A 293
PHE A 353
SER A 383
ALA A 327
 None
 1.04A 2o01A-1x1nA:
undetectable		 2o01A-1x1nA:
21.64
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.
2ef0 ORNITHINE
CARBAMOYLTRANSFERASE

(Thermus
thermophilus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 PHE A 282
SER A 279
ALA A 263
LEU A 261
 None
 1.03A 2o01A-2ef0A:
undetectable		 2o01A-2ef0A:
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.
2fji EXOCYST COMPLEX
COMPONENT SEC6

(Saccharomyces
cerevisiae) 		PF06046
(Sec6) 		4 MET 1 717
PHE 1 720
ALA 1 667
LEU 1 668
 None
 0.95A 2o01A-2fji1:
undetectable		 2o01A-2fji1:
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		4 PHE A 265
TRP A 308
ALA A 309
LEU A 310
 None
 1.00A 2o01A-2g1sA:
undetectable		 2o01A-2g1sA:
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 TRP A 365
PHE A 312
ALA A 370
LEU A 369
 None
 1.00A 2o01A-2gaiA:
undetectable		 2o01A-2gaiA:
20.82
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.
2hy5 DSRH

(Allochromatium
vinosum) 		PF04077
(DsrH) 		4 PHE C 471
SER C 472
ALA C 442
LEU C 441
 None
 0.91A 2o01A-2hy5C:
undetectable		 2o01A-2hy5C:
8.22
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.
2igs HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF11508
(DUF3218) 		4 PHE A 119
SER A 149
ALA A 210
LEU A 209
 None
 1.03A 2o01A-2igsA:
undetectable		 2o01A-2igsA:
14.19
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.
2jxu TERB

(Klebsiella
pneumoniae) 		PF05099
(TerB) 		4 MET A  56
PHE A  59
ALA A 102
LEU A 101
 None
 0.94A 2o01A-2jxuA:
undetectable		 2o01A-2jxuA:
10.99
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.
2k53 A3DK08 PROTEIN

(Ruminiclostridium
thermocellum) 		PF08984
(DUF1858) 		4 MET A  28
PHE A  23
ALA A  10
LEU A  13
 None
 1.09A 2o01A-2k53A:
undetectable		 2o01A-2k53A:
5.70
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.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		4 ARG A 271
TRP A 374
ALA A 265
LEU A 264
 None
 1.07A 2o01A-2m56A:
undetectable		 2o01A-2m56A:
19.73
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 MET A  95
PHE A  91
ARG A  88
LEU A  76
 None
 1.04A 2o01A-2nq9A:
undetectable		 2o01A-2nq9A:
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.
2o8s AGR_C_984P

(Agrobacterium
fabrum) 		PF06748
(DUF1217) 		4 MET A 102
PHE A 101
ALA A 154
LEU A 157
 None
 0.98A 2o01A-2o8sA:
undetectable		 2o01A-2o8sA:
19.19
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.
2ocd L-ASPARAGINASE I

(Vibrio cholerae) 		PF00710
(Asparaginase) 		4 MET A  38
PHE A  41
ALA A 130
LEU A 133
 None
 1.09A 2o01A-2ocdA:
undetectable		 2o01A-2ocdA:
19.54
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.
2rfq 3-HSA HYDROXYLASE,
OXYGENASE

(Rhodococcus
jostii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 PHE A 338
SER A 341
ALA A 347
LEU A 346
 None
1PS  A 392 ( 4.1A)
1PS  A 392 ( 3.8A)
None
 1.01A 2o01A-2rfqA:
undetectable		 2o01A-2rfqA:
20.37
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.
2uxt PROTEIN SUFI

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 TRP A 425
MET A 455
SER A 460
ALA A 390
 None
 1.01A 2o01A-2uxtA:
undetectable		 2o01A-2uxtA:
19.61
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		4 MET A 243
PHE A 273
ALA A 291
LEU A 292
 None
 0.69A 2o01A-2w61A:
undetectable		 2o01A-2w61A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF13469
(Sulfotransfer_3) 		4 TRP A 196
MET A 172
ALA A 194
LEU A 197
 None
PLM  A 700 (-4.1A)
None
None
 1.02A 2o01A-2z6vA:
undetectable		 2o01A-2z6vA:
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 4 PHE C 117
SER C 115
ALA C 160
LEU C 164
 None
 1.08A 2o01A-3a28C:
undetectable		 2o01A-3a28C:
15.41
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.
3d6c THERMONUCLEASE

(Staphylococcus
aureus) 		PF00565
(SNase) 		4 MET A  65
PHE A  61
ALA A 109
LEU A 108
 None
 0.79A 2o01A-3d6cA:
undetectable		 2o01A-3d6cA:
9.66
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.
3h7v O-SUCCINYLBENZOATE
SYNTHASE

(Thermosynechococcus
elongatus) 		PF13378
(MR_MLE_C) 		4 ARG A  26
TRP A  51
ALA A 271
LEU A 272
 None
 1.04A 2o01A-3h7vA:
undetectable		 2o01A-3h7vA:
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.
3il0 XAA-PRO
AMINOPEPTIDASE
AMINOPEPTIDASE P

(Streptococcus
thermophilus) 		PF01321
(Creatinase_N) 		4 MET A 121
PHE A 120
ALA A  19
LEU A  17
 None
 1.02A 2o01A-3il0A:
undetectable		 2o01A-3il0A:
10.11
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 MET A1073
PHE A1080
ALA A1054
LEU A1055
 None
 0.94A 2o01A-3lj0A:
undetectable		 2o01A-3lj0A:
21.00
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.
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
 0.78A 2o01A-3lmmA:
undetectable		 2o01A-3lmmA:
21.99
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 PHE A 176
SER A 170
ARG A 174
ALA A  90
 None
 1.04A 2o01A-3mduA:
undetectable		 2o01A-3mduA:
21.84
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		4 MET A 211
PHE A 214
ALA A 265
LEU A 268
 None
 0.77A 2o01A-3nipA:
undetectable		 2o01A-3nipA:
17.12
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.
3oad RENIN

(Homo sapiens) 		PF00026
(Asp) 		4 PHE B 270
TRP B 313
ALA B 314
LEU B 315
 None
 1.01A 2o01A-3oadB:
undetectable		 2o01A-3oadB:
11.89
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.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		4 MET A 190
PHE A 193
ALA A 281
LEU A 280
 None
 1.05A 2o01A-3p1vA:
undetectable		 2o01A-3p1vA:
18.01
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.
3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Klebsiella
pneumoniae) 		PF08282
(Hydrolase_3) 		4 PHE A  38
SER A   7
ALA A  24
LEU A  28
 None
 1.04A 2o01A-3pgvA:
undetectable		 2o01A-3pgvA:
15.79
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.
3qd8 PROBABLE
BACTERIOFERRITIN
BFRB

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 PHE A  36
ARG A  89
ALA A  93
LEU A  92
 None
 1.09A 2o01A-3qd8A:
undetectable		 2o01A-3qd8A:
11.99
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.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 4 MET A  59
PHE A  58
ALA A  42
LEU A  43
 None
 1.05A 2o01A-3s4lA:
undetectable		 2o01A-3s4lA:
14.46
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TRP A 421
SER A 364
ALA A 371
LEU A 372
 None
 0.98A 2o01A-3w5nA:
undetectable		 2o01A-3w5nA:
22.02
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 TRP A  81
TRP A  30
ALA A  55
LEU A  57
 None
 1.02A 2o01A-3wbxA:
undetectable		 2o01A-3wbxA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		4 PHE A 115
SER A 113
ALA A 158
LEU A 162
 None
 1.07A 2o01A-3wyeA:
undetectable		 2o01A-3wyeA:
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		4 PHE A 313
TRP A 356
ALA A 357
LEU A 358
 None
 0.99A 2o01A-4amtA:
undetectable		 2o01A-4amtA:
18.25
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.
4cni INTERLEUKIN-6

(Homo sapiens) 		PF00489
(IL6) 		4 PHE C 105
SER C 107
ALA C  38
LEU C  39
 None
 1.02A 2o01A-4cniC:
undetectable		 2o01A-4cniC:
11.85
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		4 MET A 190
PHE A 193
ALA A 281
LEU A 280
 None
 1.04A 2o01A-4df9A:
undetectable		 2o01A-4df9A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eun THERMORESISTANT
GLUCOKINASE

(Janibacter sp.
HTCC2649) 		PF01202
(SKI) 		4 MET A 127
PHE A 126
SER A  15
ALA A  37
 None
 0.94A 2o01A-4eunA:
undetectable		 2o01A-4eunA:
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.
4frf INOSITOL
POLYPHOSPHATE
MULTIKINASE ALPHA

(Arabidopsis
thaliana) 		PF03770
(IPK) 		4 PHE A 269
SER A 268
ALA A 163
LEU A 167
 None
 0.96A 2o01A-4frfA:
undetectable		 2o01A-4frfA:
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.
4ip3 ORF169B

(Shigella
flexneri) 		no annotation 4 PHE A  94
TRP A 146
ALA A  66
LEU A  67
 None
 1.03A 2o01A-4ip3A:
undetectable		 2o01A-4ip3A:
14.51
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.
4jqo ORNITHINE
CARBAMOYLTRANSFERASE

(Vibrio
vulnificus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 PHE A 314
SER A 311
ALA A 278
LEU A 276
 None
 0.99A 2o01A-4jqoA:
undetectable		 2o01A-4jqoA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k81 GROWTH FACTOR
RECEPTOR-BOUND
PROTEIN 14

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		4 PHE A 187
SER A 114
ARG A 120
LEU A 137
 None
 1.02A 2o01A-4k81A:
undetectable		 2o01A-4k81A:
14.02
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 PHE A 748
ARG A 749
ALA A 754
LEU A 753
 None
 1.02A 2o01A-4ka8A:
undetectable		 2o01A-4ka8A:
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		4 MET A 407
SER A 410
ALA A 255
LEU A 256
 None
 1.09A 2o01A-4n1yA:
undetectable		 2o01A-4n1yA:
15.40
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 PHE D 740
SER D 741
ALA D 733
LEU D 736
 None
 1.05A 2o01A-4ngeD:
undetectable		 2o01A-4ngeD:
21.97
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 TRP A1214
PHE A 292
ALA A 350
LEU A 351
 None
 1.01A 2o01A-4o9xA:
undetectable		 2o01A-4o9xA:
16.44
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.
4oh7 ORNITHINE
CARBAMOYLTRANSFERASE

(Brucella
melitensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 PHE A 287
SER A 284
ALA A 268
LEU A 266
 None
 0.98A 2o01A-4oh7A:
undetectable		 2o01A-4oh7A:
17.40
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) 		6 MET A 691
PHE A 692
SER A 695
TRP A 700
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 1.08A 2o01A-4rkuA:
41.5		 2o01A-4rkuA:
99.45
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) 		5 MET B 662
PHE B 663
SER B 666
TRP B 671
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.7A)
 1.25A 2o01A-4rkuB:
29.2		 2o01A-4rkuB:
44.50
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) 		5 MET B 662
SER B 666
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 1.15A 2o01A-4rkuB:
29.2		 2o01A-4rkuB:
44.50
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		4 PHE A 303
SER A 305
ALA A 287
LEU A 288
 None
 1.07A 2o01A-4ru4A:
undetectable		 2o01A-4ru4A:
22.96
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.
4wd4 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		4 MET A  51
PHE A  47
ARG A  44
LEU A 155
 None
 0.94A 2o01A-4wd4A:
undetectable		 2o01A-4wd4A:
16.38
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		4 PHE A 454
SER A 457
ALA A 479
LEU A 478
 None
 1.07A 2o01A-5czzA:
undetectable		 2o01A-5czzA:
20.02
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 TRP A 179
SER A 300
TRP A  99
LEU A 176
 5V4  A 408 (-3.8A)
None
None
None
 0.95A 2o01A-5f4zA:
undetectable		 2o01A-5f4zA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 4 PHE A  80
SER A  78
ALA A 214
LEU A 211
 None
 1.07A 2o01A-5gheA:
undetectable		 2o01A-5gheA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy6 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT

(Homo sapiens) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		4 MET V 536
PHE V 541
ALA V 572
LEU V 575
 None
 1.08A 2o01A-5iy6V:
undetectable		 2o01A-5iy6V:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jaa ANTITOXIN IGA-2

(Vibrio cholerae) 		PF15731
(MqsA_antitoxin) 		4 TRP A  73
MET A  54
SER A  55
LEU A  70
 None
 1.05A 2o01A-5jaaA:
undetectable		 2o01A-5jaaA:
8.49
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TRP A 257
MET A 376
ALA A 348
LEU A 352
 None
 0.96A 2o01A-5jo7A:
undetectable		 2o01A-5jo7A:
20.33
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.
5kx6 GALACTOSIDE
2-ALPHA-L-FUCOSYLTRA
NSFERASE

(Arabidopsis
thaliana) 		PF03254
(XG_FTase) 		4 MET A 211
PHE A 215
ALA A 463
LEU A 464
 None
None
GDP  A 601 (-3.3A)
None
 1.05A 2o01A-5kx6A:
undetectable		 2o01A-5kx6A:
19.79
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		4 PHE A  53
SER A  55
ALA A  67
LEU A  64
 None
 0.97A 2o01A-5m5jA:
undetectable		 2o01A-5m5jA:
18.51
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 PHE A  90
SER A  71
ALA A 496
LEU A 500
 None
 0.91A 2o01A-5medA:
undetectable		 2o01A-5medA:
21.77
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.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 4 PHE H 181
SER H 183
ALA H 112
LEU H 109
 None
 1.00A 2o01A-5mgyH:
undetectable		 2o01A-5mgyH:
18.49
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.
5o6u UNCHARACTERIZED
PROTEIN

(Shewanella
putrefaciens) 		no annotation 4 SER F 166
ARG F 170
ALA F 140
LEU F 139
 None
 0.93A 2o01A-5o6uF:
undetectable		 2o01A-5o6uF:
17.49
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.
5opt ACTIVATED PROTEIN
KINASE C RECEPTOR,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 TRP p 312
ARG p 261
ALA p 275
LEU p 274
 None
 0.89A 2o01A-5optp:
undetectable		 2o01A-5optp:
16.78
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 6 MET 1 684
PHE 1 685
SER 1 688
TRP 1 693
ALA 1 717
LEU 1 718
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 1.00A 2o01A-5oy01:
35.0		 2o01A-5oy01:
8.89
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 5 TRP 1  49
MET 1 684
PHE 1 685
SER 1 688
LEU 1 718
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 3.6A)
 1.15A 2o01A-5oy01:
35.0		 2o01A-5oy01:
8.89
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 MET b 659
PHE b 660
SER b 663
TRP b 668
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
PQN  b1844 ( 3.4A)
PQN  b1844 ( 3.8A)
 1.15A 2o01A-5oy0b:
29.0		 2o01A-5oy0b:
7.72
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 MET b 659
SER b 663
TRP b 668
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 (-3.7A)
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 1.08A 2o01A-5oy0b:
29.0		 2o01A-5oy0b:
7.72
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.
5t51 KLLA0E05809P

(Kluyveromyces
lactis) 		PF03980
(Nnf1) 		4 TRP B  69
PHE B  77
ALA B  27
LEU B  28
 None
 1.07A 2o01A-5t51B:
undetectable		 2o01A-5t51B:
8.67
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 MET A 421
SER A 107
ALA A 156
LEU A 155
 None
 1.07A 2o01A-5tr1A:
undetectable		 2o01A-5tr1A:
23.54
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.
5ung CHIMERA PROTEIN OF
TYPE-2 ANGIOTENSIN
II RECEPTOR AND
SOLUBLE CYTOCHROME
B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		4 PHE B 308
SER B 311
ALA B  95
LEU B  97
 8ES  B1201 (-3.7A)
None
None
None
 0.87A 2o01A-5ungB:
undetectable		 2o01A-5ungB:
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.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 4 MET D 695
PHE D 699
ALA D 720
LEU D 721
 None
 0.86A 2o01A-5xbkD:
undetectable		 2o01A-5xbkD:
7.51
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.
6cza -

(-) 		no annotation 4 TRP A 331
SER A 388
ALA A 334
LEU A 335
 None
 0.78A 2o01A-6czaA:
undetectable		 2o01A-6czaA:
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.
6erq DIMETHYLADENOSINE
TRANSFERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 MET F 194
PHE F 228
ALA F  81
LEU F  84
 None
 1.09A 2o01A-6erqF:
undetectable		 2o01A-6erqF:
17.55
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.
6f0k ACTF

(Rhodothermus
marinus) 		no annotation 4 TRP F 169
PHE F 234
ALA F  77
LEU F  78
 None
 1.02A 2o01A-6f0kF:
undetectable		 2o01A-6f0kF:
6.90
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 4 SER B 761
ARG A 708
ALA B1015
LEU B1013
 None
 0.98A 2o01A-6f42B:
undetectable		 2o01A-6f42B:
7.43
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
SER A 685
TRP A 690
ALA A 714
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
 0.90A 2o01A-6fosA:
39.6		 2o01A-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 5 MET A 681
PHE A 682
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 1.12A 2o01A-6fosA:
39.6		 2o01A-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 5 TRP A  46
MET A 681
PHE A 682
TRP A 690
LEU A 715
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.7A)
 1.27A 2o01A-6fosA:
39.6		 2o01A-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 6 TRP B  22
MET B 660
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 None
PQN  B2002 ( 3.2A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 1.41A 2o01A-6fosB:
24.5		 2o01A-6fosB:
7.06
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 6 TRP B  22
MET B 660
PHE B 661
SER B 664
TRP B 669
ALA B 697
 None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
 1.11A 2o01A-6fosB:
24.5		 2o01A-6fosB:
7.06
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 6 TRP B  22
MET B 660
PHE B 661
TRP B 669
ALA B 697
LEU B 698
 None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 1.13A 2o01A-6fosB:
24.5		 2o01A-6fosB:
7.06
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 4 TRP A  24
PHE A  63
ALA A  46
LEU A  47
 None
 0.85A 2o01A-6fydA:
undetectable		 2o01A-6fydA:
7.29
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.
7cei PROTEIN (COLICIN E7
IMMUNITY PROTEIN)

(Escherichia
coli) 		no annotation 4 TRP B 500
PHE B 513
SER B 514
ARG B 520
 None
 1.00A 2o01A-7ceiB:
undetectable		 2o01A-7ceiB:
12.95
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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 PHE A  64
SER A  59
ALA A  96
LEU A  99
 None
 1.03A 2o01A-7mdhA:
undetectable		 2o01A-7mdhA:
18.78