SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y00_B_Y00B601_2

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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN


(Tobacco
ringspot virus)
PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N)
3 VAL A 430
ASN A 373
TRP A 439
None
1.11A 2y00B-1a6cA:
undetectable
2y00B-1a6cA:
20.96
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.
1c8m HUMAN RHINOVIRUS 16
COAT PROTEIN


(Rhinovirus A)
PF00073
(Rhv)
3 VAL 2 208
ASN 2 218
TRP 2 219
None
1.11A 2y00B-1c8m2:
undetectable
2y00B-1c8m2:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex0 COAGULATION FACTOR
XIII A CHAIN


(Homo sapiens)
PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core)
3 VAL A 266
ASN A 376
TRP A 375
None
1.00A 2y00B-1ex0A:
undetectable
2y00B-1ex0A:
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE


(Sus scrofa)
PF00342
(PGI)
3 VAL A  97
ASN A 507
TRP A 512
None
0.75A 2y00B-1gzvA:
undetectable
2y00B-1gzvA:
19.75
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92)
PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C)
3 VAL A 288
ASN A 241
TRP A 273
None
1.13A 2y00B-1h3gA:
undetectable
2y00B-1h3gA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kob TWITCHIN

(Aplysia
californica)
PF00069
(Pkinase)
3 VAL A  42
ASN A 112
TRP A  34
None
1.10A 2y00B-1kobA:
undetectable
2y00B-1kobA:
21.36
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.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE


(Arabidopsis
thaliana)
PF16363
(GDP_Man_Dehyd)
3 VAL A 119
ASN A 214
TRP A 255
GDR  A 801 (-4.3A)
GDR  A 801 ( 3.1A)
None
1.11A 2y00B-1n7gA:
undetectable
2y00B-1n7gA:
22.28
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Leishmania
mexicana)
PF00342
(PGI)
3 VAL A 145
ASN A 558
TRP A 563
None
0.89A 2y00B-1q50A:
undetectable
2y00B-1q50A:
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B


([Haemophilus]
ducreyi)
PF03372
(Exo_endo_phos)
3 VAL B 118
ASN B  33
TRP B  32
None
0.66A 2y00B-1sr4B:
undetectable
2y00B-1sr4B:
22.36
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.
1t66 IMMUNOGLOBULIN HEAVY
CHAIN


(Mus musculus)
no annotation 3 VAL H  81
ASN H  35
TRP H  47
None
1.12A 2y00B-1t66H:
undetectable
2y00B-1t66H:
20.50
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.
1vl2 ARGININOSUCCINATE
SYNTHASE


(Thermotoga
maritima)
PF00764
(Arginosuc_synth)
3 VAL A 343
ASN A  78
TRP A 289
None
1.09A 2y00B-1vl2A:
undetectable
2y00B-1vl2A:
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.
1y4j SULFATASE MODIFYING
FACTOR 2


(Homo sapiens)
PF03781
(FGE-sulfatase)
3 VAL A 271
ASN A 186
TRP A 187
None
1.12A 2y00B-1y4jA:
undetectable
2y00B-1y4jA:
20.36
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.
1y9g EXO-INULINASE

(Aspergillus
awamori)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
3 VAL A 259
ASN A 304
TRP A 305
None
1.08A 2y00B-1y9gA:
undetectable
2y00B-1y9gA:
20.51
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE


(Mus musculus)
PF00342
(PGI)
3 VAL A  98
ASN A 508
TRP A 513
None
0.81A 2y00B-2cxnA:
undetectable
2y00B-2cxnA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1n CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B


(Escherichia
coli)
PF03372
(Exo_endo_phos)
3 VAL A  96
ASN A  11
TRP A  10
None
0.89A 2y00B-2f1nA:
undetectable
2y00B-2f1nA:
23.89
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.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN


(Homo sapiens)
PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
3 VAL A 512
ASN A 196
TRP A  24
None
1.04A 2y00B-2gjxA:
undetectable
2y00B-2gjxA:
20.51
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA


(Homo sapiens)
PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
no annotation
3 VAL I 512
ASN I 196
TRP A  24
None
1.11A 2y00B-2gk1I:
undetectable
2y00B-2gk1I:
22.62
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.
2htb PUTATIVE ENZYME
RELATED TO ALDOSE
1-EPIMERASE


(Salmonella
enterica)
PF01263
(Aldose_epim)
3 VAL A 169
ASN A 243
TRP A 242
None
0.84A 2y00B-2htbA:
undetectable
2y00B-2htbA:
22.80
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.
2mgy TRANSLOCATOR PROTEIN

(Mus musculus)
PF03073
(TspO_MBR)
3 VAL A 115
ASN A 151
TRP A 155
None
PKA  A 201 ( 4.1A)
None
0.95A 2y00B-2mgyA:
undetectable
2y00B-2mgyA:
20.20
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE


(Renilla
reniformis)
PF00561
(Abhydrolase_1)
3 VAL A 175
ASN A  53
TRP A 121
None
1.07A 2y00B-2psfA:
undetectable
2y00B-2psfA:
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.
2w68 SIALIDASE

(Vibrio cholerae)
PF09264
(Sial-lect-inser)
3 VAL A 102
ASN A 110
TRP A 193
None
1.10A 2y00B-2w68A:
undetectable
2y00B-2w68A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
3 VAL A 237
ASN A  74
TRP A 221
None
1.03A 2y00B-2waeA:
undetectable
2y00B-2waeA:
17.83
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE


(Vibrio cholerae)
PF00155
(Aminotran_1_2)
3 VAL A 171
ASN A 112
TRP A 109
None
PLP  A 600 ( 4.7A)
None
1.05A 2y00B-2wk8A:
undetectable
2y00B-2wk8A:
20.20
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9


(Schizosaccharomyces
pombe)
PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12)
3 VAL A 317
ASN A 280
TRP A 252
None
1.02A 2y00B-2xpiA:
undetectable
2y00B-2xpiA:
20.10
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
3 VAL A 156
ASN A 226
TRP A 224
None
0.99A 2y00B-2xvgA:
undetectable
2y00B-2xvgA:
17.24
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN


(Thermus
thermophilus)
PF03480
(DctP)
3 VAL A  47
ASN A 291
TRP A 295
None
1.12A 2y00B-2zzwA:
undetectable
2y00B-2zzwA:
24.87
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale)
PF00232
(Glyco_hydro_1)
3 VAL A  99
ASN A 185
TRP A 186
None
0.90A 2y00B-3aivA:
undetectable
2y00B-3aivA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4w UNCHARACTERIZED
PROTEIN BB4693


(Bordetella
bronchiseptica)
PF04909
(Amidohydro_2)
3 VAL A 133
ASN A 190
TRP A 193
None
1.02A 2y00B-3k4wA:
undetectable
2y00B-3k4wA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmm UNCHARACTERIZED
PROTEIN


(Corynebacterium
diphtheriae)
PF04326
(AlbA_2)
PF13749
(HATPase_c_4)
3 VAL A 115
ASN A  77
TRP A 164
None
0.89A 2y00B-3lmmA:
undetectable
2y00B-3lmmA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmm UNCHARACTERIZED
PROTEIN


(Corynebacterium
diphtheriae)
PF04326
(AlbA_2)
PF13749
(HATPase_c_4)
3 VAL A 134
ASN A  77
TRP A 164
None
0.95A 2y00B-3lmmA:
undetectable
2y00B-3lmmA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN


(Clostridium
acetobutylicum)
PF01263
(Aldose_epim)
3 VAL A 189
ASN A 289
TRP A 288
None
None
TLA  A 401 (-4.4A)
1.10A 2y00B-3os7A:
undetectable
2y00B-3os7A:
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE


(Azotobacter
vinelandii)
PF00148
(Oxidored_nitro)
3 VAL A 175
ASN A 246
TRP A 269
None
0.95A 2y00B-3pdiA:
undetectable
2y00B-3pdiA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
3 VAL A 114
ASN A 312
TRP A 313
ERC  A1201 (-3.8A)
ERC  A1201 (-3.0A)
ERC  A1201 (-4.4A)
1.00A 2y00B-3pdsA:
38.3
2y00B-3pdsA:
42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
3 VAL A 117
ASN A 312
TRP A 313
None
ERC  A1201 (-3.0A)
ERC  A1201 (-4.4A)
0.59A 2y00B-3pdsA:
38.3
2y00B-3pdsA:
42.70
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Francisella
tularensis)
PF00342
(PGI)
3 VAL A  86
ASN A 494
TRP A 499
None
0.89A 2y00B-3q88A:
undetectable
2y00B-3q88A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rfr PMOB

(Methylocystis
sp. M)
PF04744
(Monooxygenase_B)
3 VAL A 277
ASN A  44
TRP A  45
None
1.04A 2y00B-3rfrA:
undetectable
2y00B-3rfrA:
21.05
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 VAL A 825
ASN A 217
TRP A 216
None
0.97A 2y00B-3sunA:
undetectable
2y00B-3sunA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tdp FORMATE/NITRITE
TRANSPORTER


(Clostridioides
difficile)
PF01226
(Form_Nir_trans)
3 VAL A 171
ASN A  86
TRP A 108
None
1.12A 2y00B-3tdpA:
undetectable
2y00B-3tdpA:
23.46
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.
3ttl POLYAMINE TRANSPORT
PROTEIN


(Pseudomonas
aeruginosa)
PF13416
(SBP_bac_8)
3 VAL A 119
ASN A 269
TRP A 271
None
1.14A 2y00B-3ttlA:
undetectable
2y00B-3ttlA:
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Corynebacterium
glutamicum)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
3 VAL A 286
ASN A 178
TRP A 320
None
PO4  A 401 ( 4.8A)
None
1.11A 2y00B-3tx8A:
undetectable
2y00B-3tx8A:
23.81
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.
3u1t DMMA HALOALKANE
DEHALOGENASE


(unidentified)
PF00561
(Abhydrolase_1)
3 VAL A 204
ASN A  78
TRP A 145
None
CL  A 350 (-4.4A)
CL  A 350 (-4.7A)
1.06A 2y00B-3u1tA:
undetectable
2y00B-3u1tA:
22.97
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.
3ubu AGGLUCETIN SUBUNIT
BETA-2


(Deinagkistrodon
acutus)
PF00059
(Lectin_C)
3 VAL B 121
ASN B 107
TRP B 109
None
1.03A 2y00B-3ubuB:
undetectable
2y00B-3ubuB:
19.06
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE


(Toxoplasma
gondii)
PF00342
(PGI)
3 VAL A  95
ASN A 508
TRP A 513
None
0.81A 2y00B-3ujhA:
undetectable
2y00B-3ujhA:
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B


(Neisseria
meningitidis)
PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A)
3 VAL A 152
ASN A  50
TRP A  51
None
0.75A 2y00B-3v8uA:
undetectable
2y00B-3v8uA:
16.99
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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL


(Trypanosoma
brucei)
PF01786
(AOX)
3 VAL A 157
ASN A 289
TRP A 151
None
1.11A 2y00B-3vvaA:
undetectable
2y00B-3vvaA:
22.49
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.
3wib HALOALKANE
DEHALOGENASE


(Agrobacterium
fabrum)
PF00561
(Abhydrolase_1)
3 VAL A 164
ASN A  43
TRP A 109
None
NHE  A 401 (-3.8A)
NHE  A 401 (-4.1A)
1.08A 2y00B-3wibA:
undetectable
2y00B-3wibA:
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.
3x1b LACCASE

(Lentinus)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 VAL A 488
ASN A 104
TRP A 506
None
1.14A 2y00B-3x1bA:
undetectable
2y00B-3x1bA:
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE


(Parageobacillus
thermoglucosidasius)
PF00465
(Fe-ADH)
3 VAL A 613
ASN A 723
TRP A 462
None
0.78A 2y00B-3zdrA:
undetectable
2y00B-3zdrA:
21.33
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.
4bok ALPHA-1,6-MANNANASE

(Bacillus
circulans)
PF03663
(Glyco_hydro_76)
3 VAL A 369
ASN A  49
TRP A  53
None
0.99A 2y00B-4bokA:
undetectable
2y00B-4bokA:
21.22
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.
4brz HALOALKANE
DEHALOGENASE


(Rhodobacteraceae)
PF00561
(Abhydrolase_1)
3 VAL A 162
ASN A  36
TRP A 107
None
CL  A1293 (-4.4A)
CL  A1293 (-4.7A)
1.04A 2y00B-4brzA:
undetectable
2y00B-4brzA:
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius)
PF03512
(Glyco_hydro_52)
3 VAL A 142
ASN A 380
TRP A 382
None
1.13A 2y00B-4c1oA:
undetectable
2y00B-4c1oA:
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE


(Brucella
melitensis)
no annotation 3 VAL D  95
ASN D 502
TRP D 507
None
0.84A 2y00B-4em6D:
undetectable
2y00B-4em6D:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fbo PSEUDOMONAS
FLUORESCENS
AGGLUTININ


(Pseudomonas
fluorescens)
no annotation 3 VAL A 100
ASN A   8
TRP A  10
None
0.88A 2y00B-4fboA:
undetectable
2y00B-4fboA:
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.
4fff LEVAN
FRUCTOTRANSFERASE


(Paenarthrobacter
ureafaciens)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
3 VAL A 329
ASN A 320
TRP A 322
None
0.99A 2y00B-4fffA:
undetectable
2y00B-4fffA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR


(Homo sapiens)
PF00001
(7tm_1)
3 VAL A 117
ASN A 284
TRP A 285
CAU  A 500 (-4.2A)
CAU  A 500 (-3.3A)
None
0.65A 2y00B-4gbrA:
39.0
2y00B-4gbrA:
58.02
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae)
PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C)
3 VAL C 709
ASN C 673
TRP C 676
None
1.02A 2y00B-4hb4C:
undetectable
2y00B-4hb4C:
14.79
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.
4jg5 PUTATIVE CELL
ADHESION PROTEIN


(Parabacteroides
distasonis)
PF06321
(P_gingi_FimA)
3 VAL A 192
ASN A  55
TRP A 365
None
0.99A 2y00B-4jg5A:
undetectable
2y00B-4jg5A:
21.93
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.
4k2x POLYKETIDE
OXYGENASE/HYDROXYLAS
E


(Streptomyces
rimosus)
PF01494
(FAD_binding_3)
3 VAL A 388
ASN A 310
TRP A 313
None
0.99A 2y00B-4k2xA:
undetectable
2y00B-4k2xA:
21.28
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.
4k5r OXYGENASE

(Streptomyces
argillaceus)
PF01494
(FAD_binding_3)
3 VAL A 393
ASN A 314
TRP A 317
None
0.90A 2y00B-4k5rA:
undetectable
2y00B-4k5rA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
3 VAL A1114
ASN A1312
TRP A1313
P0G  A1401 (-3.7A)
P0G  A1401 (-2.9A)
1WV  A1403 ( 4.3A)
1.08A 2y00B-4ldeA:
32.8
2y00B-4ldeA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR


(Escherichia
virus T4;
Homo sapiens)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
3 VAL A1117
ASN A1312
TRP A1313
P0G  A1401 ( 4.4A)
P0G  A1401 (-2.9A)
1WV  A1403 ( 4.3A)
0.97A 2y00B-4ldeA:
32.8
2y00B-4ldeA:
42.33
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.
4ngu TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Desulfovibrio
alaskensis)
PF03480
(DctP)
3 VAL A 154
ASN A  40
TRP A 202
None
DAL  A 403 (-4.2A)
DAL  A 403 (-4.1A)
1.10A 2y00B-4nguA:
undetectable
2y00B-4nguA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN


(Clostridioides
difficile)
PF09084
(NMT1)
3 VAL A  84
ASN A  15
TRP A  12
None
VIB  A 401 (-3.3A)
VIB  A 401 (-3.6A)
1.10A 2y00B-4nmyA:
undetectable
2y00B-4nmyA:
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.
4or2 SOLUBLE CYTOCHROME
B562, METABOTROPIC
GLUTAMATE RECEPTOR 1


(Escherichia
coli;
Homo sapiens)
PF00003
(7tm_3)
PF07361
(Cytochrom_B562)
3 VAL A 721
ASN A 760
TRP A 798
None
FM9  A1901 (-3.9A)
None
1.04A 2y00B-4or2A:
16.9
2y00B-4or2A:
23.97
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.
4pbo C-REACTIVE PROTEIN

(Danio rerio)
PF00354
(Pentaxin)
3 VAL A 134
ASN A  63
TRP A  65
None
1.11A 2y00B-4pboA:
undetectable
2y00B-4pboA:
18.45
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.
4pwo DSBA

(Corynebacterium
diphtheriae)
PF13462
(Thioredoxin_4)
3 VAL A 252
ASN A 155
TRP A 154
None
1.06A 2y00B-4pwoA:
undetectable
2y00B-4pwoA:
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE


(Trypanosoma
cruzi)
PF00342
(PGI)
3 VAL A 147
ASN A 561
TRP A 566
None
0.74A 2y00B-4qfhA:
undetectable
2y00B-4qfhA:
18.06
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.
4rzc FV M6P-1 LIGHT CHAIN

(Oryctolagus
cuniculus)
no annotation 3 VAL H  77
ASN H  35
TRP H  47
None
1.13A 2y00B-4rzcH:
undetectable
2y00B-4rzcH:
15.34
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.
4tnw AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA


(Caenorhabditis
elegans)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
3 VAL A 228
ASN A 331
TRP A 335
None
0.95A 2y00B-4tnwA:
3.4
2y00B-4tnwA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uri CHITINASE-RELATED
AGGLUTININ


(Robinia
pseudoacacia)
PF00704
(Glyco_hydro_18)
3 VAL A 267
ASN A 324
TRP A 325
None
0.95A 2y00B-4uriA:
undetectable
2y00B-4uriA:
22.38
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.
4wdr HALOALKANE
DEHALOGENASE


(Sphingobium
japonicum)
PF00561
(Abhydrolase_1)
3 VAL A 163
ASN A  38
TRP A 109
None
CL  A 301 (-4.2A)
CL  A 301 (-4.7A)
1.03A 2y00B-4wdrA:
undetectable
2y00B-4wdrA:
22.69
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE


(Colias
eurytheme)
PF00342
(PGI)
3 VAL A 102
ASN A 511
TRP A 516
None
0.83A 2y00B-4wmjA:
undetectable
2y00B-4wmjA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfk PUTATIVE BRANCHED
CHAIN AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN


(Brucella ovis)
PF13458
(Peripla_BP_6)
3 VAL A 288
ASN A 235
TRP A 240
None
None
ACT  A 500 ( 4.0A)
0.84A 2y00B-4xfkA:
undetectable
2y00B-4xfkA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhp PARM HYBRID FUSION
PROTEIN


(Bacillus
thuringiensis)
no annotation 3 VAL A 770
ASN A 363
TRP A 359
None
0.89A 2y00B-4xhpA:
undetectable
2y00B-4xhpA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c4q BROMODOMAIN

(Leishmania
donovani)
PF00439
(Bromodomain)
3 VAL A  47
ASN A  87
TRP A  93
None
BMF  A 201 (-2.8A)
BMF  A 201 (-3.5A)
1.03A 2y00B-5c4qA:
undetectable
2y00B-5c4qA:
15.13
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.
5dz7 POLYKETIDE
BIOSYNTHESIS PROTEIN
PKSE


(Bacillus
subtilis)
PF00698
(Acyl_transf_1)
3 VAL A 149
ASN A 153
TRP A 248
None
1.12A 2y00B-5dz7A:
undetectable
2y00B-5dz7A:
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.
5esr HALOALKANE
DEHALOGENASE


(Caulobacter
vibrioides)
PF00561
(Abhydrolase_1)
3 VAL A 102
ASN A 227
TRP A 231
None
0.85A 2y00B-5esrA:
undetectable
2y00B-5esrA:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR


(Meleagris
gallopavo)
no annotation 3 VAL B 122
ASN B 329
TRP B 330
P32  B 400 (-3.5A)
P32  B 400 (-2.9A)
None
1.07A 2y00B-5f8uB:
39.8
2y00B-5f8uB:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR


(Meleagris
gallopavo)
no annotation 3 VAL B 125
ASN B 329
TRP B 330
P32  B 400 ( 4.7A)
P32  B 400 (-2.9A)
None
0.53A 2y00B-5f8uB:
39.8
2y00B-5f8uB:
99.37
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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
3 VAL C 397
ASN C 186
TRP C 105
None
1.07A 2y00B-5flzC:
undetectable
2y00B-5flzC:
20.87
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M)
3 VAL A 612
ASN A 390
TRP A 392
None
0.50A 2y00B-5l46A:
undetectable
2y00B-5l46A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans)
PF03422
(CBM_6)
PF03663
(Glyco_hydro_76)
3 VAL A 369
ASN A  49
TRP A  53
None
EDO  A 602 (-3.9A)
EDO  A 602 ( 4.7A)
1.00A 2y00B-5m77A:
undetectable
2y00B-5m77A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE


(Homo sapiens)
PF00264
(Tyrosinase)
3 VAL A 333
ASN A 250
TRP A 249
None
0.84A 2y00B-5m8tA:
undetectable
2y00B-5m8tA:
19.91
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.
5npu ANC27

(synthetic
construct)
no annotation 3 VAL A 535
ASN A 487
TRP A 488
None
1.05A 2y00B-5npuA:
undetectable
2y00B-5npuA:
13.98
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.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5


(Homo sapiens)
no annotation 3 VAL A 241
ASN A 410
TRP A 414
None
1.00A 2y00B-5o8fA:
3.1
2y00B-5o8fA:
21.67
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.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1


(Gloeobacter
violaceus;
Mus musculus)
no annotation 3 VAL A 237
ASN A 407
TRP A 411
None
1.03A 2y00B-5osbA:
4.3
2y00B-5osbA:
22.38
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.
5uzh NAFOA.00085.B

(Naegleria
fowleri)
PF16363
(GDP_Man_Dehyd)
3 VAL A 123
ASN A 217
TRP A 258
GDP  A 401 (-4.1A)
GDP  A 401 ( 3.4A)
None
1.10A 2y00B-5uzhA:
undetectable
2y00B-5uzhA:
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)


(Paraburkholderia
xenovorans)
PF00982
(Glyco_transf_20)
3 VAL A 138
ASN A 119
TRP A 116
None
0.87A 2y00B-5v0tA:
undetectable
2y00B-5v0tA:
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.
5wa0 PUTATIVE SULFITE
OXIDASE


(Sinorhizobium
meliloti)
no annotation 3 VAL A 124
ASN A 130
TRP A 150
None
0.72A 2y00B-5wa0A:
undetectable
2y00B-5wa0A:
20.87
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa)
no annotation 3 VAL A 318
ASN A 311
TRP A 310
None
1.05A 2y00B-5wzeA:
undetectable
2y00B-5wzeA:
13.15
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.
5yy8 INFLUENZA VIRUS
NS1A-BINDING PROTEIN


(Homo sapiens)
no annotation 3 VAL A 233
ASN A 277
TRP A 319
None
1.06A 2y00B-5yy8A:
undetectable
2y00B-5yy8A:
13.02
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis)
no annotation 3 VAL A 410
ASN A 481
TRP A 480
None
GOL  A 805 (-3.7A)
None
0.69A 2y00B-5z06A:
undetectable
2y00B-5z06A:
13.99
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.
6brd RIFAMPIN
MONOOXYGENASE


(Streptomyces
venezuelae)
no annotation 3 VAL A 377
ASN A 299
TRP A 302
None
0.89A 2y00B-6brdA:
undetectable
2y00B-6brdA:
15.28
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F


(Flavobacterium
johnsoniae)
no annotation 3 VAL F 176
ASN F 104
TRP F 107
None
1.13A 2y00B-6btmF:
3.1
2y00B-6btmF:
15.48
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE


(Nocardia
farcinica)
no annotation 3 VAL A 376
ASN A 298
TRP A 301
None
1.01A 2y00B-6c7sA:
undetectable
2y00B-6c7sA:
15.38
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1


(Homo sapiens)
no annotation 3 VAL B 238
ASN B 337
TRP B 341
None
0.98A 2y00B-6d6uB:
4.4
2y00B-6d6uB:
13.25
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2


(Homo sapiens)
no annotation 3 VAL E 248
ASN E 347
TRP E 351
None
0.83A 2y00B-6d6uE:
3.4
2y00B-6d6uE:
12.54
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.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus)
no annotation 3 VAL A 803
ASN A 812
TRP A 791
None
0.66A 2y00B-6egtA:
undetectable
2y00B-6egtA:
19.96
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.
6eks SIALIDASE

(Vibrio cholerae)
no annotation 3 VAL A 128
ASN A 136
TRP A 219
None
1.06A 2y00B-6eksA:
undetectable
2y00B-6eksA:
16.95
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.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE


(Homo sapiens)
no annotation 3 VAL B 114
ASN B 208
TRP B 249
F7E  B 402 (-4.1A)
F7E  B 402 ( 3.1A)
None
1.08A 2y00B-6gplB:
undetectable
2y00B-6gplB:
undetectable