SIMILAR PATTERNS OF AMINO ACIDS FOR 2V32_A_BEZA1222

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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 THR O 328
SER O 324
GLU O 307
ALA O 121
 None
 0.98A 2v32A-1b7gO:
undetectable
2v32B-1b7gO:
undetectable		 2v32A-1b7gO:
21.36
2v32B-1b7gO:
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 THR A 310
PRO A 311
ARG A 388
PRO A 381
 None
 1.00A 2v32A-1flgA:
undetectable
2v32B-1flgA:
undetectable		 2v32A-1flgA:
16.18
2v32B-1flgA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gy8 UDP-GALACTOSE
4-EPIMERASE

(Trypanosoma
brucei) 		PF01370
(Epimerase) 		4 PRO A 111
VAL A 108
SER A 107
GLU A 175
 None
 1.00A 2v32A-1gy8A:
undetectable
2v32B-1gy8A:
undetectable		 2v32A-1gy8A:
20.65
2v32B-1gy8A:
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 THR A 156
PRO A 157
VAL A 158
PRO A 130
 None
 0.87A 2v32A-1iylA:
undetectable
2v32B-1iylA:
undetectable		 2v32A-1iylA:
20.00
2v32B-1iylA:
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.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		4 PRO A 107
SER A 109
GLU A 166
ALA A 135
 None
 0.88A 2v32A-1n9bA:
undetectable
2v32B-1n9bA:
undetectable		 2v32A-1n9bA:
23.24
2v32B-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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		4 THR A 575
VAL A 571
SER A 572
ARG A 601
 None
 0.91A 2v32A-1nd7A:
undetectable
2v32B-1nd7A:
undetectable		 2v32A-1nd7A:
20.26
2v32B-1nd7A:
20.26
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 THR A 704
PRO A 703
GLU A 473
PRO A 684
 None
 0.96A 2v32A-1rw9A:
undetectable
2v32B-1rw9A:
undetectable		 2v32A-1rw9A:
14.97
2v32B-1rw9A:
14.97
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 THR A 365
PRO A 366
VAL A 367
ALA A  10
 None
 0.88A 2v32A-1sqjA:
undetectable
2v32B-1sqjA:
undetectable		 2v32A-1sqjA:
14.58
2v32B-1sqjA:
14.58
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.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		5 THR A 135
PRO A 136
VAL A 170
ALA A 131
PRO A 104
 None
 1.44A 2v32A-1ub0A:
undetectable
2v32B-1ub0A:
undetectable		 2v32A-1ub0A:
24.10
2v32B-1ub0A:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 THR A 254
VAL A 251
SER A 250
ALA A 213
 None
 0.83A 2v32A-1ur4A:
undetectable
2v32B-1ur4A:
undetectable		 2v32A-1ur4A:
21.04
2v32B-1ur4A:
21.04
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		4 THR A 254
VAL A 251
SER A 250
GLU A 217
 None
 0.78A 2v32A-1ur4A:
undetectable
2v32B-1ur4A:
undetectable		 2v32A-1ur4A:
21.04
2v32B-1ur4A:
21.04
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 PRO A 523
SER A 521
ALA A 507
PRO A 535
 None
 0.92A 2v32A-1vcnA:
undetectable
2v32B-1vcnA:
undetectable		 2v32A-1vcnA:
18.05
2v32B-1vcnA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmj CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF14396
(CFTR_R) 		4 THR A 438
PRO A 439
VAL A 440
GLU A 621
 None
None
ATP  A   1 (-4.8A)
None
 0.90A 2v32A-1xmjA:
undetectable
2v32B-1xmjA:
undetectable		 2v32A-1xmjA:
21.73
2v32B-1xmjA:
21.73
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.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		5 THR A  57
PRO A  58
VAL A  59
SER A  60
ARG A 130
 ACT  A1200 (-3.6A)
ACT  A1200 (-3.6A)
ACT  A1200 (-3.7A)
ACT  A1200 (-2.8A)
ACT  A1200 (-3.1A)
 0.26A 2v32A-1y25A:
16.3
2v32B-1y25A:
16.4		 2v32A-1y25A:
25.11
2v32B-1y25A:
25.11
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.
1yob FLAVODOXIN 2

(Azotobacter
vinelandii) 		PF00258
(Flavodoxin_1) 		4 THR A  54
PRO A  55
GLU A 112
PRO A  63
 None
FMN  A1200 (-4.2A)
None
None
 0.95A 2v32A-1yobA:
undetectable
2v32B-1yobA:
undetectable		 2v32A-1yobA:
20.78
2v32B-1yobA:
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 THR A 193
PRO A 194
VAL A 175
SER A 174
 CA  A 371 (-3.6A)
None
None
CA  A 371 (-2.4A)
 0.94A 2v32A-1yzpA:
undetectable
2v32B-1yzpA:
undetectable		 2v32A-1yzpA:
20.83
2v32B-1yzpA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		4 PRO A  50
VAL A  51
SER A  52
ARG A  16
 None
 0.89A 2v32A-1zmbA:
undetectable
2v32B-1zmbA:
undetectable		 2v32A-1zmbA:
21.97
2v32B-1zmbA:
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		4 THR A 104
PRO A 105
SER A 107
ARG A 175
 None
 0.62A 2v32A-2a4vA:
18.1
2v32B-2a4vA:
17.9		 2v32A-2a4vA:
25.32
2v32B-2a4vA:
25.32
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 PRO B 340
VAL B 341
SER B 342
GLU B 208
 None
 0.96A 2v32A-2amcB:
undetectable
2v32B-2amcB:
undetectable		 2v32A-2amcB:
13.74
2v32B-2amcB:
13.74
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.
2asu HEPATOCYTE GROWTH
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 THR B 495
SER B 510
GLU B 603
ALA B 666
 None
 0.97A 2v32A-2asuB:
undetectable
2v32B-2asuB:
undetectable		 2v32A-2asuB:
18.11
2v32B-2asuB:
18.11
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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 THR A 326
SER A 322
GLU A 305
ALA A 123
 None
 0.96A 2v32A-2czcA:
undetectable
2v32B-2czcA:
undetectable		 2v32A-2czcA:
19.54
2v32B-2czcA:
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 PRO A 558
VAL A 559
SER A 560
ALA A 526
 None
 0.71A 2v32A-2d7iA:
2.2
2v32B-2d7iA:
2.3		 2v32A-2d7iA:
18.00
2v32B-2d7iA:
18.00
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.
2f9f FIRST MANNOSYL
TRANSFERASE (WBAZ-1)

(Archaeoglobus
fulgidus) 		PF00534
(Glycos_transf_1) 		4 VAL A 117
GLU A  98
ALA A  95
PRO A 104
 None
 1.00A 2v32A-2f9fA:
undetectable
2v32B-2f9fA:
undetectable		 2v32A-2f9fA:
26.85
2v32B-2f9fA:
26.85
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.
2hna PROTEIN MIOC

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		4 THR A  56
SER A  54
GLU A 106
ALA A  87
 None
 0.89A 2v32A-2hnaA:
undetectable
2v32B-2hnaA:
undetectable		 2v32A-2hnaA:
20.51
2v32B-2hnaA:
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 THR A 139
PRO A 140
VAL A 175
ALA A 135
PRO A 108
 None
 1.45A 2v32A-2i5bA:
undetectable
2v32B-2i5bA:
undetectable		 2v32A-2i5bA:
22.30
2v32B-2i5bA:
22.30
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.
2kic NITROGENASE GAMMA
SUBUNIT

(Azotobacter
vinelandii) 		PF16844
(DIMCO_N) 		4 THR A  71
PRO A  72
ALA A  79
PRO A  23
 None
 0.93A 2v32A-2kicA:
undetectable
2v32B-2kicA:
undetectable		 2v32A-2kicA:
19.63
2v32B-2kicA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 THR A  94
PRO A  95
VAL A  96
GLU A  43
ALA A  40
 None
 1.43A 2v32A-2p10A:
undetectable
2v32B-2p10A:
undetectable		 2v32A-2p10A:
21.74
2v32B-2p10A:
21.74
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.
2p87 PRE-MRNA-SPLICING
FACTOR PRP8

(Caenorhabditis
elegans) 		PF01398
(JAB)
PF08084
(PROCT) 		4 PRO A2267
VAL A2289
SER A2268
PRO A2142
 None
 0.97A 2v32A-2p87A:
undetectable
2v32B-2p87A:
undetectable		 2v32A-2p87A:
18.06
2v32B-2p87A:
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		4 THR A1066
PRO A1067
VAL A1068
SER A1069
 None
 0.50A 2v32A-2ri8A:
undetectable
2v32B-2ri8A:
undetectable		 2v32A-2ri8A:
19.08
2v32B-2ri8A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 THR G1301
VAL G1304
GLU G1594
ALA G1591
PRO G1322
 None
 1.32A 2v32A-2uv8G:
undetectable
2v32B-2uv8G:
undetectable		 2v32A-2uv8G:
7.53
2v32B-2uv8G:
7.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v41 PEROXIREDOXIN 6.

(Arenicola
marina) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.18A 2v32A-2v41A:
34.6
2v32B-2v41A:
34.5		 2v32A-2v41A:
100.00
2v32B-2v41A:
100.00
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 PRO A 298
VAL A 299
SER A 300
GLU A 211
 None
 0.99A 2v32A-2vqdA:
undetectable
2v32B-2vqdA:
undetectable		 2v32A-2vqdA:
20.60
2v32B-2vqdA:
20.60
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.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		4 THR A  71
PRO A  72
SER A  74
ARG A 152
 None
 0.34A 2v32A-2wfcA:
18.5
2v32B-2wfcA:
18.4		 2v32A-2wfcA:
29.71
2v32B-2wfcA:
29.71
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		4 PRO A 256
VAL A 255
SER A 259
ALA A 111
 None
 0.96A 2v32A-2wk8A:
undetectable
2v32B-2wk8A:
undetectable		 2v32A-2wk8A:
18.62
2v32B-2wk8A:
18.62
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.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 THR A 336
SER A 332
GLU A 314
ALA A 126
 None
 0.99A 2v32A-2yyyA:
undetectable
2v32B-2yyyA:
undetectable		 2v32A-2yyyA:
22.67
2v32B-2yyyA:
22.67
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		4 THR A  58
PRO A  59
VAL A  60
ARG A 132
 None
 0.58A 2v32A-2yzhA:
15.7
2v32B-2yzhA:
15.7		 2v32A-2yzhA:
25.43
2v32B-2yzhA:
25.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z9s PEROXIREDOXIN-1

(Rattus
norvegicus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 THR A  49
VAL A  51
SER A  52
ARG A 128
 None
 0.38A 2v32A-2z9sA:
22.5
2v32B-2z9sA:
22.6		 2v32A-2z9sA:
30.17
2v32B-2z9sA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 THR A  47
PRO A  48
VAL A  49
ARG A 126
 None
 0.20A 2v32A-3a5wA:
22.4
2v32B-3a5wA:
22.3		 2v32A-3a5wA:
33.20
2v32B-3a5wA:
33.20
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		4 THR A 127
PRO A 128
VAL A 129
PRO A 177
 None
 0.72A 2v32A-3akfA:
undetectable
2v32B-3akfA:
undetectable		 2v32A-3akfA:
20.97
2v32B-3akfA:
20.97
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 THR A  65
VAL A  62
SER A  61
ARG A  46
 None
 0.85A 2v32A-3d9rA:
undetectable
2v32B-3d9rA:
undetectable		 2v32A-3d9rA:
21.58
2v32B-3d9rA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		4 THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.50A 2v32A-3drnA:
19.3
2v32B-3drnA:
19.5		 2v32A-3drnA:
27.78
2v32B-3drnA:
27.78
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.
3dtt NADP OXIDOREDUCTASE

(Arthrobacter
sp. FB24) 		PF03807
(F420_oxidored) 		4 PRO A 107
GLU A 128
ALA A 198
PRO A 120
 None
 0.88A 2v32A-3dttA:
undetectable
2v32B-3dttA:
undetectable		 2v32A-3dttA:
22.51
2v32B-3dttA:
22.51
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.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 THR A 194
PRO A 193
ALA A 409
PRO A 140
 None
 0.99A 2v32A-3g0tA:
undetectable
2v32B-3g0tA:
undetectable		 2v32A-3g0tA:
19.86
2v32B-3g0tA:
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 THR A 622
PRO A 623
SER A 624
ALA A 603
 None
 0.97A 2v32A-3gitA:
undetectable
2v32B-3gitA:
undetectable		 2v32A-3gitA:
19.95
2v32B-3gitA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		4 THR A  42
VAL A  44
SER A  45
ARG A 119
 CL  A 700 (-3.2A)
None
CL  A 700 (-3.0A)
CL  A 700 (-3.5A)
 0.39A 2v32A-3hjpA:
21.0
2v32B-3hjpA:
21.0		 2v32A-3hjpA:
26.81
2v32B-3hjpA:
26.81
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 4 THR A 252
PRO A 253
SER A 255
ARG A 258
 None
 0.96A 2v32A-3hn0A:
undetectable
2v32B-3hn0A:
undetectable		 2v32A-3hn0A:
21.58
2v32B-3hn0A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 THR A  86
PRO A  87
GLU A 418
PRO A  70
 None
 0.95A 2v32A-3i4xA:
undetectable
2v32B-3i4xA:
undetectable		 2v32A-3i4xA:
17.97
2v32B-3i4xA:
17.97
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		4 THR 3 430
PRO 3 431
GLU 3 287
PRO 3 423
 None
 0.84A 2v32A-3i9v3:
undetectable
2v32B-3i9v3:
undetectable		 2v32A-3i9v3:
16.09
2v32B-3i9v3:
16.09
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.
3ld1 REPLICASE
POLYPROTEIN 1A

(Avian
coronavirus) 		no annotation 4 VAL A 146
SER A 147
GLU A  17
ALA A 142
 None
 0.98A 2v32A-3ld1A:
undetectable
2v32B-3ld1A:
undetectable		 2v32A-3ld1A:
22.01
2v32B-3ld1A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PRO A 124
VAL A 122
ALA A 161
PRO A  68
 None
 0.94A 2v32A-3ldrA:
undetectable
2v32B-3ldrA:
undetectable		 2v32A-3ldrA:
14.98
2v32B-3ldrA:
14.98
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.
3lul 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Legionella
pneumophila) 		PF01063
(Aminotran_4) 		4 THR A   3
PRO A   2
SER A 105
ALA A  53
 None
 0.96A 2v32A-3lulA:
undetectable
2v32B-3lulA:
undetectable		 2v32A-3lulA:
22.55
2v32B-3lulA:
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 PRO A 434
SER A 436
GLU A 175
PRO A 204
 None
 0.96A 2v32A-3m1lA:
undetectable
2v32B-3m1lA:
undetectable		 2v32A-3m1lA:
19.50
2v32B-3m1lA:
19.50
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.
3m7a UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF02643
(DUF192) 		5 PRO A  41
VAL A  42
SER A  43
GLU A  86
ARG A  79
 None
 1.25A 2v32A-3m7aA:
undetectable
2v32B-3m7aA:
undetectable		 2v32A-3m7aA:
22.51
2v32B-3m7aA:
22.51
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.
3myf SENSOR PROTEIN

(Shewanella sp.
W3-18-1) 		PF01627
(Hpt) 		4 THR A 890
PRO A 891
VAL A 892
GLU A 898
 None
 0.93A 2v32A-3myfA:
undetectable
2v32B-3myfA:
undetectable		 2v32A-3myfA:
20.09
2v32B-3myfA:
20.09
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 PRO A 455
VAL A 458
ARG A 462
PRO A 275
 None
 0.96A 2v32A-3n0tA:
undetectable
2v32B-3n0tA:
undetectable		 2v32A-3n0tA:
19.57
2v32B-3n0tA:
19.57
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.
3q75 FARNESYLTRANSFERASE
BETA SUBUNIT

(Cryptococcus
neoformans) 		PF00432
(Prenyltrans) 		4 THR B 498
PRO B 499
VAL B 500
ALA B 474
 None
 0.76A 2v32A-3q75B:
undetectable
2v32B-3q75B:
undetectable		 2v32A-3q75B:
16.63
2v32B-3q75B:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 4 THR L 247
PRO L 248
VAL L 249
SER L 250
 None
 0.86A 2v32A-3rkoL:
undetectable
2v32B-3rkoL:
undetectable		 2v32A-3rkoL:
15.99
2v32B-3rkoL:
15.99
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.
3sbc PEROXIREDOXIN TSA1

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 THR A  44
VAL A  46
SER A  47
ARG A 123
 None
 0.34A 2v32A-3sbcA:
21.2
2v32B-3sbcA:
21.3		 2v32A-3sbcA:
24.69
2v32B-3sbcA:
24.69
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PRO A 227
VAL A 228
SER A 201
ALA A 230
 None
 0.91A 2v32A-3sjnA:
undetectable
2v32B-3sjnA:
undetectable		 2v32A-3sjnA:
21.84
2v32B-3sjnA:
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.
3sno HYPOTHETICAL
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF01063
(Aminotran_4) 		4 THR A 129
PRO A 130
VAL A 131
SER A 107
 None
 0.92A 2v32A-3snoA:
undetectable
2v32B-3snoA:
undetectable		 2v32A-3snoA:
20.67
2v32B-3snoA:
20.67
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		4 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.82A 2v32A-3t2yA:
undetectable
2v32B-3t2yA:
undetectable		 2v32A-3t2yA:
19.59
2v32B-3t2yA:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		6 THR A  44
PRO A  45
VAL A  46
GLU A 118
ARG A 129
ALA A 148
 GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-3.7A)
GOL  A 223 (-3.4A)
GOL  A 223 (-4.1A)
GOL  A 223 (-3.6A)
 0.53A 2v32A-3tb2A:
30.0
2v32B-3tb2A:
30.3		 2v32A-3tb2A:
45.34
2v32B-3tb2A:
45.34
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.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 THR A 121
PRO A 122
VAL A 123
GLU A 157
 None
 1.00A 2v32A-3tnxA:
undetectable
2v32B-3tnxA:
undetectable		 2v32A-3tnxA:
23.06
2v32B-3tnxA:
23.06
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 PRO A 430
SER A 432
GLU A 171
PRO A 200
 None
 0.98A 2v32A-3u0bA:
undetectable
2v32B-3u0bA:
undetectable		 2v32A-3u0bA:
21.56
2v32B-3u0bA:
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		4 PRO A 427
VAL A 428
SER A 429
PRO A 284
 None
 0.84A 2v32A-3v94A:
undetectable
2v32B-3v94A:
undetectable		 2v32A-3v94A:
20.17
2v32B-3v94A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 THR A  58
VAL A  60
SER A  61
ARG A 133
 None
 0.23A 2v32A-4af2A:
16.5
2v32B-4af2A:
16.7		 2v32A-4af2A:
24.90
2v32B-4af2A:
24.90
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 THR A 196
PRO A 197
VAL A 178
SER A 177
 CA  A 402 (-3.6A)
None
None
CA  A 402 (-2.4A)
 0.96A 2v32A-4bm1A:
undetectable
2v32B-4bm1A:
undetectable		 2v32A-4bm1A:
22.09
2v32B-4bm1A:
22.09
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.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE

(Staphylococcus
aureus) 		PF08543
(Phos_pyr_kin) 		5 THR A 137
PRO A 138
VAL A 173
ALA A 133
PRO A 106
 None
 1.43A 2v32A-4c5nA:
undetectable
2v32B-4c5nA:
undetectable		 2v32A-4c5nA:
23.69
2v32B-4c5nA:
23.69
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 THR A 137
PRO A 138
ALA A 145
PRO A 409
 None
 0.96A 2v32A-4cgnA:
undetectable
2v32B-4cgnA:
undetectable		 2v32A-4cgnA:
21.68
2v32B-4cgnA:
21.68
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 THR A  96
PRO A  97
VAL A  98
SER A  99
 PPY  A 401 (-3.9A)
PPY  A 401 (-4.7A)
None
None
 0.87A 2v32A-4dqdA:
undetectable
2v32B-4dqdA:
undetectable		 2v32A-4dqdA:
21.25
2v32B-4dqdA:
21.25
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.
4g2b SECRETED EFFECTOR
PROTEIN SSEI

(Salmonella
enterica) 		PF15645
(Tox-PLDMTX) 		4 THR A 183
PRO A 184
VAL A 185
SER A 186
 None
 0.98A 2v32A-4g2bA:
undetectable
2v32B-4g2bA:
undetectable		 2v32A-4g2bA:
21.25
2v32B-4g2bA:
21.25
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		4 THR L 234
PRO L 235
VAL L 236
SER L 237
 None
 0.78A 2v32A-4heaL:
undetectable
2v32B-4heaL:
undetectable		 2v32A-4heaL:
14.52
2v32B-4heaL:
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		4 PRO A 163
VAL A 164
SER A 165
GLU A 205
 None
None
None
38I  A 406 ( 4.0A)
 0.99A 2v32A-4ixuA:
undetectable
2v32B-4ixuA:
undetectable		 2v32A-4ixuA:
20.87
2v32B-4ixuA:
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 THR A 139
PRO A 140
VAL A 174
ALA A 135
PRO A 108
 None
 1.48A 2v32A-4jjpA:
undetectable
2v32B-4jjpA:
undetectable		 2v32A-4jjpA:
21.71
2v32B-4jjpA:
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.
4kp9 PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1) 		4 THR A  14
PRO A  15
VAL A  16
GLU A  50
 None
 0.99A 2v32A-4kp9A:
undetectable
2v32B-4kp9A:
undetectable		 2v32A-4kp9A:
22.35
2v32B-4kp9A:
22.35
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.
4ncc FAB FRAGMENT HEAVY
FAB FRAGMENT LIGHT

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 THR H  61
PRO H  62
SER H  63
PRO L  94
 None
 0.84A 2v32A-4nccH:
undetectable
2v32B-4nccH:
undetectable		 2v32A-4nccH:
20.40
2v32B-4nccH:
20.40
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.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 THR H 308
PRO H 309
GLU H 273
ALA H 296
 None
 0.75A 2v32A-4nl4H:
undetectable
2v32B-4nl4H:
undetectable		 2v32A-4nl4H:
15.77
2v32B-4nl4H:
15.77
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.
4omu SHIKIMATE
DEHYDROGENASE

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 PRO A 262
VAL A 263
GLU A 244
ALA A 243
 None
 0.86A 2v32A-4omuA:
undetectable
2v32B-4omuA:
undetectable		 2v32A-4omuA:
22.84
2v32B-4omuA:
22.84
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.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 THR A 244
PRO A 245
VAL A 242
SER A 243
 None
 0.91A 2v32A-4ru0A:
undetectable
2v32B-4ru0A:
undetectable		 2v32A-4ru0A:
18.22
2v32B-4ru0A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		4 THR A 162
PRO A 163
SER A 164
ALA A  98
 None
 0.92A 2v32A-4ryeA:
undetectable
2v32B-4ryeA:
undetectable		 2v32A-4ryeA:
22.90
2v32B-4ryeA:
22.90
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.
4uyb SEC14-LIKE PROTEIN 3

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		4 THR A 398
PRO A 399
VAL A 400
GLU A 156
 None
None
None
EDO  A1401 ( 4.4A)
 0.94A 2v32A-4uybA:
undetectable
2v32B-4uybA:
undetectable		 2v32A-4uybA:
19.55
2v32B-4uybA:
19.55
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.
4wsb POLYMERASE PB2

(Influenza A
virus) 		PF00604
(Flu_PB2) 		4 THR C 227
SER C 225
ALA C 250
PRO C 246
 None
 1.00A 2v32A-4wsbC:
undetectable
2v32B-4wsbC:
undetectable		 2v32A-4wsbC:
15.36
2v32B-4wsbC:
15.36
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 149
PRO A 150
SER A 152
GLU A  53
PRO A 157
 None
 1.22A 2v32A-4yioA:
undetectable
2v32B-4yioA:
undetectable		 2v32A-4yioA:
21.96
2v32B-4yioA:
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.
4yip SUPEROXIDE DISMUTASE
[MN/FE]

(Streptococcus
mutans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 149
PRO A 150
SER A 152
GLU A  53
PRO A 157
 None
 1.32A 2v32A-4yipA:
undetectable
2v32B-4yipA:
undetectable		 2v32A-4yipA:
24.30
2v32B-4yipA:
24.30
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.
4ywr PUTATIVE
HYDROXYMETHYLPYRIMID
INE
KINASE/PHOSPHOMETHYL
PYRIMIDINE KINASE

(Acinetobacter
baumannii) 		PF08543
(Phos_pyr_kin) 		5 THR A 144
PRO A 145
VAL A 174
ALA A 140
PRO A 113
 None
 1.43A 2v32A-4ywrA:
undetectable
2v32B-4ywrA:
undetectable		 2v32A-4ywrA:
23.78
2v32B-4ywrA:
23.78
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PRO A 243
VAL A 242
GLU A 225
ALA A 170
 None
 0.83A 2v32A-4zohA:
undetectable
2v32B-4zohA:
undetectable		 2v32A-4zohA:
16.81
2v32B-4zohA:
16.81
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.
5cdd STRUCTURAL
POLYPROTEIN, VP2

(Israeli acute
paralysis virus) 		PF00073
(Rhv) 		4 THR C 221
PRO C 222
VAL C 223
ALA C 146
 None
 0.92A 2v32A-5cddC:
undetectable
2v32B-5cddC:
undetectable		 2v32A-5cddC:
20.33
2v32B-5cddC:
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 THR A 107
PRO A 108
VAL A  25
GLU A 589
 None
 0.95A 2v32A-5cj5A:
undetectable
2v32B-5cj5A:
undetectable		 2v32A-5cj5A:
16.69
2v32B-5cj5A:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 PRO A 414
VAL A 413
GLU A 525
ALA A 528
 None
 1.00A 2v32A-5djwA:
undetectable
2v32B-5djwA:
undetectable		 2v32A-5djwA:
16.38
2v32B-5djwA:
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		4 THR A 183
PRO A 184
SER A 186
ARG A 189
 ACT  A 307 (-3.1A)
None
ACT  A 307 (-3.1A)
ACT  A 307 (-3.4A)
 0.84A 2v32A-5e43A:
undetectable
2v32B-5e43A:
undetectable		 2v32A-5e43A:
20.32
2v32B-5e43A:
20.32
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 THR A 634
VAL A 608
SER A 636
PRO A 631
 None
 1.00A 2v32A-5h1kA:
undetectable
2v32B-5h1kA:
undetectable		 2v32A-5h1kA:
17.39
2v32B-5h1kA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5igu MACROLIDE
2'-PHOSPHOTRANSFERAS
E II

(Escherichia
coli) 		PF01636
(APH) 		4 PRO A 274
VAL A 275
SER A 276
ARG A 162
 None
 0.91A 2v32A-5iguA:
undetectable
2v32B-5iguA:
undetectable		 2v32A-5iguA:
20.79
2v32B-5iguA:
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.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		5 THR A  58
PRO A  59
VAL A  60
SER A  61
ARG A 134
 None
 0.36A 2v32A-5j9cA:
17.5
2v32B-5j9cA:
17.5		 2v32A-5j9cA:
25.00
2v32B-5j9cA:
25.00
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.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		4 THR A 105
PRO A 106
VAL A 107
ALA A 157
 None
 0.93A 2v32A-5k7lA:
undetectable
2v32B-5k7lA:
undetectable		 2v32A-5k7lA:
14.24
2v32B-5k7lA:
14.24
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.
5lwi STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF00073
(Rhv) 		4 THR B 221
PRO B 222
VAL B 223
ALA B 146
 None
 0.84A 2v32A-5lwiB:
undetectable
2v32B-5lwiB:
undetectable		 2v32A-5lwiB:
22.59
2v32B-5lwiB:
22.59
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.
5npx POLYPROTEIN

(Broad bean
stain virus) 		no annotation 4 THR S 430
PRO S 431
VAL S 432
SER S 433
 None
 0.86A 2v32A-5npxS:
undetectable
2v32B-5npxS:
undetectable		 2v32A-5npxS:
undetectable
2v32B-5npxS:
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.
5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7

(Homo sapiens) 		PF00293
(NUDIX) 		4 THR A 123
PRO A 124
SER A  42
ALA A  87
 None
 0.94A 2v32A-5t3pA:
undetectable
2v32B-5t3pA:
undetectable		 2v32A-5t3pA:
20.08
2v32B-5t3pA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbq PEROXIREDOXIN

(Pyrococcus
horikoshii) 		no annotation 5 THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
 OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
 0.50A 2v32A-5xbqA:
24.4
2v32B-5xbqA:
24.5		 2v32A-5xbqA:
undetectable
2v32B-5xbqA:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 THR A 377
PRO A 378
SER A 380
ALA A 447
 None
 0.96A 2v32A-5xfaA:
undetectable
2v32B-5xfaA:
undetectable		 2v32A-5xfaA:
17.09
2v32B-5xfaA:
17.09
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.
5yq7 CYTOCHROME SUBUNIT
OF PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii;
Roseiflexus
castenholzii) 		no annotation
no annotation 		4 THR M 422
PRO M 421
SER M 495
GLU C 221
 None
 0.95A 2v32A-5yq7M:
undetectable
2v32B-5yq7M:
undetectable		 2v32A-5yq7M:
undetectable
2v32B-5yq7M:
undetectable