SIMILAR PATTERNS OF AMINO ACIDS FOR 2CP4_A_CAMA416

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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 THR A 209
GLY A 242
VAL A 231
ASP A 204
VAL A 232
 None
 1.38A 2cp4A-1bs0A:
0.0		 2cp4A-1bs0A:
24.89
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 THR A 188
THR A 243
LEU A 206
GLY A 273
VAL A 312
 None
 1.07A 2cp4A-1e8tA:
0.0		 2cp4A-1e8tA:
21.49
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 296
THR A  37
GLY A   9
VAL A   5
VAL A  30
 None
 1.24A 2cp4A-1gsoA:
0.0		 2cp4A-1gsoA:
25.05
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		5 PHE A 162
TYR A 163
LEU A  34
GLY A  31
VAL A 200
 None
 1.37A 2cp4A-1hkhA:
0.0		 2cp4A-1hkhA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hu3 EIF4GII

(Homo sapiens) 		PF02854
(MIF4G) 		5 THR A 751
VAL A 791
GLY A 790
VAL A 821
ASP A 783
 None
 1.18A 2cp4A-1hu3A:
0.0		 2cp4A-1hu3A:
21.26
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		5 LEU A 447
VAL A 420
GLY A 422
VAL A 412
VAL A 413
 None
 1.20A 2cp4A-1iokA:
undetectable		 2cp4A-1iokA:
22.04
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.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		5 THR A  71
LEU A 152
VAL A  75
VAL A 262
VAL A 247
 None
 1.39A 2cp4A-1n9bA:
0.0		 2cp4A-1n9bA:
23.24
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A1481
VAL A1469
GLY A1477
VAL A1411
VAL A1393
 None
 1.31A 2cp4A-1ofeA:
0.0		 2cp4A-1ofeA:
14.52
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 LEU A 631
VAL A 217
GLY A 216
VAL A 208
VAL A 209
 None
 1.40A 2cp4A-1qb4A:
0.0		 2cp4A-1qb4A:
18.99
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 459
THR A 567
VAL A 612
GLY A 611
VAL A 625
 None
 1.32A 2cp4A-1s5jA:
undetectable		 2cp4A-1s5jA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u05 ORF, CONSERVED
HYPOTHETICAL PROTEIN

(Shigella
flexneri) 		PF02578
(Cu-oxidase_4) 		5 PHE A 112
LEU A 130
VAL A 134
GLY A 133
VAL A 205
 None
 1.16A 2cp4A-1u05A:
undetectable		 2cp4A-1u05A:
21.50
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.
1v0m ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
lividans) 		PF00331
(Glyco_hydro_10) 		5 PHE A 204
LEU A 228
VAL A 230
GLY A 229
VAL A 257
 None
 1.39A 2cp4A-1v0mA:
undetectable		 2cp4A-1v0mA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6y ENDO-1,4-BETA-D-XYLA
NASE AND
ENDO-1,4-BETA-XYLANA
SE B

(Cellulomonas
fimi;
Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10) 		5 PHE A 204
LEU A 227
VAL A 229
GLY A 228
VAL A 266
 None
 1.32A 2cp4A-1v6yA:
undetectable		 2cp4A-1v6yA:
21.90
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 THR A 131
LEU A  32
VAL A  28
GLY A 254
VAL A 204
 NMN  A1001 (-4.2A)
None
None
None
None
 1.11A 2cp4A-1y1pA:
undetectable		 2cp4A-1y1pA:
21.09
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.
1yns E-1 ENZYME

(Homo sapiens) 		no annotation 5 THR A 107
LEU A 110
VAL A  97
ASP A  66
VAL A  73
 None
 1.27A 2cp4A-1ynsA:
undetectable		 2cp4A-1ynsA:
19.42
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		5 THR A 110
THR A 133
LEU A 118
GLY A 170
ASP A  96
 PLP  A 419 (-3.8A)
SAM  A 417 (-3.6A)
PLP  A 419 ( 3.8A)
None
None
 1.34A 2cp4A-2a5hA:
undetectable		 2cp4A-2a5hA:
22.55
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.
2eel CELL DEATH ACTIVATOR
CIDE-A

(Homo sapiens) 		PF02017
(CIDE-N) 		5 LEU A  47
VAL A  48
VAL A  58
ASP A  60
VAL A  51
 None
 1.20A 2cp4A-2eelA:
undetectable		 2cp4A-2eelA:
13.57
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus;
Staphylococcus
aureus) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 PHE A  99
TYR A 329
THR A  89
VAL A 204
GLY B  46
 None
 1.33A 2cp4A-2f2aA:
undetectable		 2cp4A-2f2aA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR A 176
THR A 235
LEU A 216
VAL A 213
ASP A 270
 MG  A 602 ( 3.3A)
None
None
None
MG  A 602 ( 4.8A)
 1.17A 2cp4A-2f43A:
undetectable		 2cp4A-2f43A:
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 VAL A  57
GLY A  59
VAL A 145
ASP A  70
VAL A  68
 None
 1.34A 2cp4A-2f7lA:
undetectable		 2cp4A-2f7lA:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		6 PHE A  87
TYR A  96
THR A 101
LEU A 244
GLY A 248
VAL A 295
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.9A)
HEM  A 501 (-4.6A)
 1.26A 2cp4A-2m56A:
67.1		 2cp4A-2m56A:
99.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		10 PHE A  87
TYR A  96
THR A 101
THR A 185
LEU A 244
VAL A 247
GLY A 248
VAL A 295
ASP A 297
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
 0.40A 2cp4A-2m56A:
67.1		 2cp4A-2m56A:
99.50
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.
2ofq TRAO
TRAN

(IncN plasmid
R46;
IncN plasmid
R46) 		PF03524
(CagX)
no annotation 		5 PHE A 211
VAL A 262
GLY A 263
VAL A 200
VAL B  33
 None
 1.32A 2cp4A-2ofqA:
undetectable		 2cp4A-2ofqA:
13.72
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A 206
LEU A 218
GLY A  77
VAL A 162
VAL A 184
 None
 1.21A 2cp4A-2ogaA:
undetectable		 2cp4A-2ogaA:
22.83
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.
2oix XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		5 THR A 348
LEU A 475
VAL A 474
GLY A 477
VAL A 414
 None
 1.27A 2cp4A-2oixA:
undetectable		 2cp4A-2oixA:
18.73
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 THR A 487
THR A 416
LEU A 477
VAL A 274
GLY A 273
 None
PRX  A 998 (-3.7A)
None
None
None
 1.15A 2cp4A-2p2mA:
undetectable		 2cp4A-2p2mA:
19.67
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 TYR A 488
THR A 416
LEU A 477
VAL A 274
GLY A 273
 None
PRX  A 998 (-3.7A)
None
None
None
 1.12A 2cp4A-2p2mA:
undetectable		 2cp4A-2p2mA:
19.67
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.
2prd PYROPHOSPHATE
PHOSPHOHYDROLASE

(Thermus
thermophilus) 		PF00719
(Pyrophosphatase) 		5 THR A  61
LEU A  69
VAL A 105
GLY A  71
VAL A  87
 None
 1.19A 2cp4A-2prdA:
undetectable		 2cp4A-2prdA:
18.09
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.
2uxy ALIPHATIC AMIDASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 LEU A 121
VAL A  99
GLY A  98
VAL A  13
VAL A  15
 None
 1.39A 2cp4A-2uxyA:
undetectable		 2cp4A-2uxyA:
22.77
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 292
VAL J 290
GLY J 276
VAL J 393
VAL J 392
 None
 1.29A 2cp4A-2wp8J:
undetectable		 2cp4A-2wp8J:
18.36
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 362
VAL A 386
GLY A 387
VAL A 394
VAL A 392
 None
None
FAD  A 601 (-3.3A)
None
None
 1.38A 2cp4A-2wu5A:
undetectable		 2cp4A-2wu5A:
20.65
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 THR A 269
THR A 301
VAL A 251
GLY A 249
VAL A 298
 None
 1.37A 2cp4A-2xr1A:
undetectable		 2cp4A-2xr1A:
20.78
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 THR A 600
THR A 671
LEU A 616
VAL A 617
GLY A 615
 None
 1.32A 2cp4A-2xt6A:
undetectable		 2cp4A-2xt6A:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 THR A 120
LEU A 350
VAL A 279
GLY A 280
VAL A 300
 None
 1.34A 2cp4A-2zm2A:
undetectable		 2cp4A-2zm2A:
25.60
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 THR A 120
LEU A 350
VAL A 279
GLY A 280
VAL A 303
 None
 1.24A 2cp4A-2zm2A:
undetectable		 2cp4A-2zm2A:
25.60
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 THR A1245
LEU A1140
VAL A1146
VAL A1163
VAL A1250
 None
 1.38A 2cp4A-2zxqA:
undetectable		 2cp4A-2zxqA:
14.11
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.
3dlt ESTERASE D

(Lactobacillus
rhamnosus) 		PF12146
(Hydrolase_4) 		5 THR A 222
LEU A 230
VAL A 234
VAL A  45
VAL A  18
 None
 1.24A 2cp4A-3dltA:
undetectable		 2cp4A-3dltA:
21.75
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 LEU A 100
VAL A 280
GLY A 279
VAL A 317
VAL A 128
 None
 1.14A 2cp4A-3f11A:
undetectable		 2cp4A-3f11A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 274
LEU A 191
GLY A 226
VAL A 240
VAL A 217
 None
 1.25A 2cp4A-3g1uA:
undetectable		 2cp4A-3g1uA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A  73
THR A  12
THR A  75
VAL A 174
GLY A 152
 EDO  A 505 (-4.9A)
None
None
None
None
 1.26A 2cp4A-3h7rA:
undetectable		 2cp4A-3h7rA:
22.07
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A  77
THR A  12
THR A  79
VAL A 178
GLY A 156
 None
 1.23A 2cp4A-3h7uA:
undetectable		 2cp4A-3h7uA:
22.83
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 274
LEU A 191
GLY A 226
VAL A 240
VAL A 217
 None
 1.24A 2cp4A-3h9uA:
undetectable		 2cp4A-3h9uA:
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 LEU A  89
VAL A 327
GLY A 386
VAL A 496
VAL A 331
 None
 1.40A 2cp4A-3iveA:
undetectable		 2cp4A-3iveA:
21.42
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 LEU A 173
GLY A 177
VAL A 185
ASP A 187
VAL A 247
 None
None
None
SAH  A 346 ( 4.5A)
None
 1.16A 2cp4A-3lstA:
undetectable		 2cp4A-3lstA:
21.96
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.
3ly5 ATP-DEPENDENT RNA
HELICASE DDX18

(Homo sapiens) 		PF00270
(DEAD) 		5 PHE A 233
VAL A 270
GLY A 269
ASP A 333
VAL A 306
 None
 1.29A 2cp4A-3ly5A:
undetectable		 2cp4A-3ly5A:
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		5 THR A 314
THR A 307
VAL A 135
GLY A 138
VAL A 209
 None
 1.36A 2cp4A-3n6xA:
undetectable		 2cp4A-3n6xA:
21.71
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.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		5 THR A 467
LEU A 133
VAL A  77
GLY A  90
VAL A 485
 None
 1.12A 2cp4A-3nvqA:
undetectable		 2cp4A-3nvqA:
20.53
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 THR A 265
LEU A 130
VAL A 286
GLY A 285
VAL A 253
 None
 1.40A 2cp4A-3nyiA:
undetectable		 2cp4A-3nyiA:
23.42
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 324
LEU A 241
GLY A 276
VAL A 290
VAL A 267
 None
 1.26A 2cp4A-3oneA:
undetectable		 2cp4A-3oneA:
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.
3tfz CYCLASE

(Streptomyces
sp. R1128) 		PF10604
(Polyketide_cyc2) 		5 THR A  34
VAL A  24
GLY A  26
VAL A 150
ASP A 146
 None
None
None
None
CXS  A 171 (-4.7A)
 1.32A 2cp4A-3tfzA:
undetectable		 2cp4A-3tfzA:
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.
3to4 NKT VBETA2 (MOUSE
VARIABLE DOMAIN,
HUMAN CONSTANT
DOMAIN)

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR D 115
LEU D  12
GLY D 219
VAL D 158
ASP D 156
 None
 1.27A 2cp4A-3to4D:
undetectable		 2cp4A-3to4D:
19.85
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.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 PHE A 212
THR A 149
THR A 219
GLY A 153
VAL A 180
 None
 1.27A 2cp4A-3uaqA:
undetectable		 2cp4A-3uaqA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 TYR A  98
THR A 103
LEU A 252
GLY A 256
VAL A 404
 None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
GOL  A1419 (-3.5A)
 0.96A 2cp4A-4c9mA:
58.7		 2cp4A-4c9mA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		8 TYR A  98
THR A 103
THR A 187
LEU A 252
GLY A 256
VAL A 303
ASP A 305
VAL A 404
 None
GOL  A1419 (-3.8A)
None
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
GOL  A1419 (-3.5A)
 0.53A 2cp4A-4c9mA:
58.7		 2cp4A-4c9mA:
44.68
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 THR C 207
LEU C  33
VAL C  29
GLY C  31
VAL C 219
 FAD  C1283 (-4.6A)
None
FAD  C1283 (-4.0A)
None
None
 1.32A 2cp4A-4ci0C:
undetectable		 2cp4A-4ci0C:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 PHE A  87
THR A 101
LEU A 250
GLY A 254
VAL A 301
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
PEG  A 502 ( 4.5A)
 1.21A 2cp4A-4dxyA:
52.2		 2cp4A-4dxyA:
46.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		6 PHE A  87
THR A 101
LEU A 250
GLY A 254
VAL A 301
VAL A 402
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
PEG  A 502 ( 4.5A)
None
 0.88A 2cp4A-4dxyA:
52.2		 2cp4A-4dxyA:
46.01
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 PHE A 198
THR A 167
VAL A 134
GLY A 113
VAL A 191
 None
 1.37A 2cp4A-4f85A:
undetectable		 2cp4A-4f85A:
21.79
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 THR A 583
THR A 310
LEU A 290
VAL A 286
VAL A 313
 None
 1.29A 2cp4A-4hhrA:
undetectable		 2cp4A-4hhrA:
19.88
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		5 THR B 198
LEU B  28
VAL B  30
VAL B  87
VAL B 166
 None
 1.07A 2cp4A-4hzuB:
undetectable		 2cp4A-4hzuB:
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.
4kvs ALDEHYDE
DECARBONYLASE

(Prochlorococcus
marinus) 		PF11266
(Ald_deCOase) 		5 TYR A  30
LEU A  87
VAL A  89
GLY A  84
VAL A  41
 None
None
None
None
6NA  A 301 ( 4.2A)
 1.19A 2cp4A-4kvsA:
undetectable		 2cp4A-4kvsA:
21.56
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 LEU A  59
VAL A  91
GLY A  57
VAL A  78
VAL A  79
 None
 1.06A 2cp4A-4l7zA:
undetectable		 2cp4A-4l7zA:
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.
4m0k ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Rhodothermus
marinus) 		PF00156
(Pribosyltran) 		5 THR A 173
LEU A 165
GLY A 161
VAL A 126
ASP A 124
 None
None
None
AMP  A 300 (-3.9A)
AMP  A 300 (-3.0A)
 1.40A 2cp4A-4m0kA:
undetectable		 2cp4A-4m0kA:
18.72
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		5 THR A 147
GLY A  48
VAL A  93
ASP A 242
VAL A 244
 None
None
None
GCU  A 401 ( 2.7A)
None
 0.95A 2cp4A-4n91A:
undetectable		 2cp4A-4n91A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oh0 BETA-LACTAMASE
OXA-58

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 PHE A  57
THR A  59
GLY A 275
VAL A 238
VAL A 246
 None
 1.28A 2cp4A-4oh0A:
undetectable		 2cp4A-4oh0A:
20.62
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 TYR A 232
THR A 522
THR A 659
VAL A 531
GLY A 530
 None
 1.40A 2cp4A-4pdxA:
undetectable		 2cp4A-4pdxA:
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 THR A 382
LEU A  98
GLY A 190
VAL A 258
VAL A 352
 None
 1.17A 2cp4A-4qbuA:
undetectable		 2cp4A-4qbuA:
22.20
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 THR A  26
VAL A 455
GLY A 453
VAL A  33
VAL A  67
 None
 1.09A 2cp4A-4re2A:
undetectable		 2cp4A-4re2A:
22.54
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.
4rj9 C2 DOMAIN-CONTAINING
PROTEIN-LIKE

(Oryza sativa) 		PF00168
(C2) 		5 THR A  48
THR A  42
GLY A  16
VAL A  72
VAL A  31
 None
 1.21A 2cp4A-4rj9A:
undetectable		 2cp4A-4rj9A:
18.80
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.
4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
2

(Homo sapiens) 		PF06470
(SMC_hinge) 		5 THR A 627
GLY A 546
VAL A 656
ASP A 658
VAL A 650
 None
 1.29A 2cp4A-4u4pA:
undetectable		 2cp4A-4u4pA:
22.11
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.
4xxw PROTOCADHERIN-15

(Mus musculus) 		no annotation 5 PHE B 183
TYR B 207
LEU B 234
VAL B 135
VAL B 141
 None
 1.36A 2cp4A-4xxwB:
undetectable		 2cp4A-4xxwB:
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 THR A  91
VAL A  18
GLY A  21
ASP A  38
VAL A  11
 None
NAI  A 500 (-4.0A)
None
NAI  A 500 (-2.6A)
None
 1.22A 2cp4A-4yacA:
undetectable		 2cp4A-4yacA:
21.26
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.
4ydi HEAVY CHAIN OF
ANTIBODY
Z258-VRC27.01
LIGHT CHAIN OF
ANTIBODY
Z258-VRC27.01

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H  45
TYR L  87
THR L  85
GLY L  41
VAL H  89
 None
 1.31A 2cp4A-4ydiH:
undetectable		 2cp4A-4ydiH:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 THR J 188
LEU J  22
VAL J  24
VAL J  79
VAL J 157
 None
 1.20A 2cp4A-4ymwJ:
undetectable		 2cp4A-4ymwJ:
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 TYR A 120
LEU A 150
VAL A 148
GLY A 157
VAL A 210
 None
 1.31A 2cp4A-4yw5A:
undetectable		 2cp4A-4yw5A:
19.13
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
 None
 1.30A 2cp4A-4yyfA:
undetectable		 2cp4A-4yyfA:
22.95
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.
4z5s ALDEHYDE
DECARBONYLASE

(Synechocystis
sp. PCC 6803) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
 1.29A 2cp4A-4z5sA:
undetectable		 2cp4A-4z5sA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 THR A  35
LEU A 405
VAL A 398
VAL A 431
VAL A  21
 None
 1.35A 2cp4A-5a0tA:
undetectable		 2cp4A-5a0tA:
21.44
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 TYR B 121
GLY B  97
VAL B 115
ASP B  90
VAL B  88
 TPP  B 402 (-4.2A)
None
None
MG  B 403 ( 3.1A)
None
 1.10A 2cp4A-5b47B:
undetectable		 2cp4A-5b47B:
19.64
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.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 LEU A  26
GLY A  30
VAL A  41
ASP A  43
VAL A 107
 None
None
None
SAH  A 301 ( 4.5A)
None
 0.94A 2cp4A-5bp7A:
undetectable		 2cp4A-5bp7A:
20.57
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.
5c5h 2-SUCCINYLBENZOATE--
COA LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 334
LEU A 271
VAL A 278
GLY A 270
VAL A 289
 None
4YB  A 502 (-4.3A)
None
4YB  A 502 (-4.4A)
None
 1.36A 2cp4A-5c5hA:
undetectable		 2cp4A-5c5hA:
24.05
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 PHE A 747
THR A 686
LEU A1066
VAL A1062
VAL A1085
 None
 1.35A 2cp4A-5cjuA:
undetectable		 2cp4A-5cjuA:
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A  98
TYR A  94
THR A 231
VAL A 177
VAL A 166
 None
 1.37A 2cp4A-5dmhA:
undetectable		 2cp4A-5dmhA:
22.47
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.
5du3 PLASMA PROTEASE C1
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		5 PHE A 396
LEU A 160
VAL A 159
GLY A 162
ASP A 398
 None
 1.40A 2cp4A-5du3A:
undetectable		 2cp4A-5du3A:
22.10
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 LEU A  25
GLY A  29
VAL A  40
ASP A  42
VAL A 106
 None
None
None
SAH  A 301 ( 4.5A)
None
 0.96A 2cp4A-5epeA:
undetectable		 2cp4A-5epeA:
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.
5jh1 ALDOSE REDUCTASE,
AKR4C7

(Zea mays) 		PF00248
(Aldo_ket_red) 		5 PHE A  74
THR A   9
THR A  76
VAL A 174
GLY A 152
 None
 1.29A 2cp4A-5jh1A:
undetectable		 2cp4A-5jh1A:
19.90
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.
5k52 ALDEHYDE
DECARBONYLASE

(Limnothrix sp.
KNUA012) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
OCD  A 500 ( 4.6A)
 1.21A 2cp4A-5k52A:
undetectable		 2cp4A-5k52A:
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE

(Oscillatoria
sp.) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
STE  A 502 ( 4.8A)
 1.12A 2cp4A-5k53A:
undetectable		 2cp4A-5k53A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 THR A 845
THR A 712
LEU A 846
VAL A 679
VAL A 710
 None
 1.31A 2cp4A-5lq3A:
undetectable		 2cp4A-5lq3A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		5 THR A 174
LEU A 120
VAL A 123
VAL A 136
VAL A  75
 None
 1.35A 2cp4A-5malA:
undetectable		 2cp4A-5malA:
21.26
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 5 THR A 134
LEU A 175
GLY A 231
VAL A 241
VAL A 191
 None
 1.34A 2cp4A-5mqzA:
undetectable		 2cp4A-5mqzA:
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.
5ocp -

(-) 		no annotation 5 LEU A  33
VAL A   3
GLY A   4
VAL A  87
VAL A  85
 None
 1.23A 2cp4A-5ocpA:
undetectable		 2cp4A-5ocpA:
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 294
THR A  37
GLY A   9
VAL A   5
VAL A  30
 None
 1.22A 2cp4A-5vevA:
undetectable		 2cp4A-5vevA:
24.80
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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 5 THR A  43
VAL A 315
GLY A 393
VAL A 356
VAL A 355
 None
 1.30A 2cp4A-5x7nA:
undetectable		 2cp4A-5x7nA:
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 PHE A  98
THR A  74
LEU A 116
GLY A  26
VAL A  43
 None
None
INS  A 301 (-4.8A)
INS  A 301 (-3.8A)
None
 1.30A 2cp4A-5ysqA:
undetectable		 2cp4A-5ysqA:
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 5 THR A 195
VAL A 246
GLY A 245
VAL A 146
ASP A 143
 None
None
None
EDO  A 405 ( 3.9A)
EDO  A 409 ( 3.0A)
 1.27A 2cp4A-6c5cA:
undetectable		 2cp4A-6c5cA:
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.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 5 THR A 247
LEU A 260
VAL A 256
GLY A 230
VAL A 182
 None
 1.25A 2cp4A-6chkA:
undetectable		 2cp4A-6chkA:
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
GLY A 301
VAL A 384
VAL A 306
 None
 1.25A 2cp4A-6d35A:
undetectable		 2cp4A-6d35A:
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
VAL A 243
GLY A 301
VAL A 384
 None
 1.18A 2cp4A-6d35A:
undetectable		 2cp4A-6d35A:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PHE A  34
TYR A  30
THR A 213
LEU A 274
VAL A 325
 None
 1.38A 2cp4A-6eu6A:
undetectable		 2cp4A-6eu6A:
undetectable