SIMILAR PATTERNS OF AMINO ACIDS FOR 3UCJ_B_AZMB229

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.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		3 GLN A  63
PHE A  67
TYR A  59
 None
 0.96A 3ucjA-1cm8A:
undetectable		 3ucjA-1cm8A:
19.02
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		3 GLN A 151
PHE A 179
TYR A 205
 ACT  A3003 (-3.9A)
ACT  A3003 (-4.9A)
ACT  A3003 (-3.6A)
 0.54A 3ucjA-1ekjA:
21.9		 3ucjA-1ekjA:
28.69
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 GLN A 387
PHE A 410
TYR A  66
 None
 0.95A 3ucjA-1geuA:
undetectable		 3ucjA-1geuA:
19.38
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.
1jcm INDOLE-3-GLYCEROL-PH
OSPHATE SYNTHASE

(Escherichia
coli) 		PF00218
(IGPS) 		3 GLN P  23
PHE P  28
TYR P 121
 None
 1.01A 3ucjA-1jcmP:
0.0		 3ucjA-1jcmP:
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.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 GLN A 108
PHE A 192
TYR A 179
 None
 0.93A 3ucjA-1l6jA:
undetectable		 3ucjA-1l6jA:
18.69
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.
1mi5 TCR ALPHA CHAIN
TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		3 GLN E 106
PHE E 108
TYR D  35
 None
 1.00A 3ucjA-1mi5E:
undetectable		 3ucjA-1mi5E:
24.51
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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 GLN A 329
PHE A 325
TYR A  65
 None
 0.96A 3ucjA-1n76A:
undetectable		 3ucjA-1n76A:
17.01
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		3 GLN A   9
PHE A 185
TYR A  48
 None
 0.95A 3ucjA-1qpgA:
undetectable		 3ucjA-1qpgA:
21.20
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.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		3 GLN A  44
PHE A  45
TYR A  82
 GLN  A  44 ( 0.6A)
PHE  A  45 ( 1.3A)
TYR  A  82 ( 1.3A)
 0.97A 3ucjA-1rynA:
undetectable		 3ucjA-1rynA:
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		3 GLN A 114
PHE A 112
TYR A 356
 None
 0.95A 3ucjA-1tdkA:
undetectable		 3ucjA-1tdkA:
21.06
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		3 GLN A1394
PHE A1174
TYR A1112
 None
 0.97A 3ucjA-1xv5A:
2.4		 3ucjA-1xv5A:
21.48
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 GLN A1094
PHE A1079
TYR A1050
 None
 1.00A 3ucjA-1yguA:
undetectable		 3ucjA-1yguA:
17.38
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		3 GLN A 378
PHE A 380
TYR A 412
 None
 1.00A 3ucjA-1yi7A:
undetectable		 3ucjA-1yi7A:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy7 STRINGENT STARVATION
PROTEIN A

(Yersinia pestis) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 GLN A  24
PHE A  21
TYR A 111
 None
 0.75A 3ucjA-1yy7A:
undetectable		 3ucjA-1yy7A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		3 GLN A 308
PHE A  46
TYR A 134
 None
 0.94A 3ucjA-1zz3A:
1.9		 3ucjA-1zz3A:
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		3 GLN A  42
PHE A  70
TYR A  89
 None
 0.29A 3ucjA-2a5vA:
19.1		 3ucjA-2a5vA:
27.69
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.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		3 GLN A 166
PHE A 140
TYR A 342
 PMP  A1416 (-3.7A)
None
None
 1.01A 3ucjA-2c81A:
undetectable		 3ucjA-2c81A:
19.33
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.
2eke SUMO-CONJUGATING
ENZYME UBC9

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		3 GLN A 151
PHE A  81
TYR A  58
 None
 0.87A 3ucjA-2ekeA:
undetectable		 3ucjA-2ekeA:
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		3 GLN A 378
PHE A 380
TYR A 412
 None
 1.01A 3ucjA-2exhA:
undetectable		 3ucjA-2exhA:
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		3 GLN A 185
PHE A 143
TYR A 149
 None
 0.98A 3ucjA-2i3oA:
undetectable		 3ucjA-2i3oA:
18.02
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.
2jj7 HEMOLYSIN II
REGULATORY PROTEIN

(Bacillus cereus) 		PF00440
(TetR_N) 		3 GLN A 128
PHE A  71
TYR A  86
 None
 0.97A 3ucjA-2jj7A:
undetectable		 3ucjA-2jj7A:
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.
2lig ASPARTATE RECEPTOR

(Salmonella
enterica) 		PF02203
(TarH) 		3 GLN A  49
PHE A 107
TYR A 168
 None
 0.91A 3ucjA-2ligA:
undetectable		 3ucjA-2ligA:
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.
2o3o YYCI PROTEIN

(Bacillus
subtilis) 		PF09648
(YycI) 		3 GLN A  85
PHE A 105
TYR A 184
 None
 0.99A 3ucjA-2o3oA:
undetectable		 3ucjA-2o3oA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 GLN A 288
PHE A 239
TYR A 157
 None
 1.00A 3ucjA-2ppgA:
undetectable		 3ucjA-2ppgA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qkp UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF13596
(PAS_10) 		3 GLN A 372
PHE A 352
TYR A 355
 None
 0.95A 3ucjA-2qkpA:
undetectable		 3ucjA-2qkpA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdf OUTER MEMBRANE
PROTEIN

(Neisseria
meningitidis) 		PF07239
(OpcA) 		3 GLN A 215
PHE A 191
TYR A 213
 None
 0.90A 3ucjA-2vdfA:
undetectable		 3ucjA-2vdfA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		3 GLN A  59
PHE A  87
TYR A 109
 None
 0.44A 3ucjA-2w3nA:
24.3		 3ucjA-2w3nA:
30.86
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.
2w5s PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE

(Staphylococcus
aureus) 		PF00884
(Sulfatase) 		3 GLN A 258
PHE A 260
TYR A 441
 None
 1.02A 3ucjA-2w5sA:
undetectable		 3ucjA-2w5sA:
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		3 GLN A 256
PHE A 258
TYR A 437
 None
 0.98A 3ucjA-2w8dA:
2.1		 3ucjA-2w8dA:
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		3 GLN B1248
PHE B1124
TYR B1059
 None
 0.98A 3ucjA-2xwbB:
undetectable		 3ucjA-2xwbB:
12.69
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 GLN A 613
PHE A 581
TYR A 595
 None
 1.01A 3ucjA-2yfnA:
undetectable		 3ucjA-2yfnA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yt2 FIBROBLAST GROWTH
FACTOR RECEPTOR
SUBSTRATE 3 AND ALK
TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF02174
(IRS) 		3 GLN A 102
PHE A  98
TYR A  65
 None
 0.92A 3ucjA-2yt2A:
undetectable		 3ucjA-2yt2A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 GLN A 469
PHE A 468
TYR A 551
 None
 1.00A 3ucjA-3actA:
undetectable		 3ucjA-3actA:
13.73
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.
3b4y PROBABLE
F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE FGD1

(Mycobacterium
tuberculosis) 		PF00296
(Bac_luciferase) 		3 GLN A 317
PHE A 320
TYR A   8
 None
 0.92A 3ucjA-3b4yA:
undetectable		 3ucjA-3b4yA:
19.77
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.
3c6l TCR 2W20 ALPHA CHAIN
TCR 2W20 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		3 GLN B  99
PHE B 101
TYR A  35
 None
 0.89A 3ucjA-3c6lB:
undetectable		 3ucjA-3c6lB:
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		3 GLN A 123
PHE A 570
TYR A 580
 None
 0.93A 3ucjA-3djaA:
undetectable		 3ucjA-3djaA:
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		3 GLN X 390
PHE X 389
TYR X 387
 None
 0.90A 3ucjA-3dwoX:
undetectable		 3ucjA-3dwoX:
19.77
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.
3fip OUTER MEMBRANE USHER
PROTEIN PAPC

(Escherichia
coli) 		PF00577
(Usher) 		3 GLN A 191
PHE A 168
TYR A 170
 None
 0.81A 3ucjA-3fipA:
undetectable		 3ucjA-3fipA:
18.53
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 GLN A 618
PHE A 615
TYR A 614
 None
 0.94A 3ucjA-3gm8A:
undetectable		 3ucjA-3gm8A:
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		3 GLN A 424
PHE A 408
TYR A 442
 None
 0.95A 3ucjA-3h7nA:
undetectable		 3ucjA-3h7nA:
14.45
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.
3hd5 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Bordetella
parapertussis) 		PF00085
(Thioredoxin)
PF01323
(DSBA) 		3 GLN A  83
PHE A  54
TYR A  99
 None
 0.84A 3ucjA-3hd5A:
undetectable		 3ucjA-3hd5A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 3 GLN A 355
PHE A 260
TYR A 331
 None
 1.00A 3ucjA-3hj4A:
undetectable		 3ucjA-3hj4A:
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.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		3 GLN A 114
PHE A 112
TYR A 356
 None
 1.01A 3ucjA-3kveA:
undetectable		 3ucjA-3kveA:
20.70
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.
3lxt GLUTATHIONE S
TRANSFERASE

(Pseudomonas
protegens) 		PF13417
(GST_N_3) 		3 GLN A 171
PHE A 178
TYR A 138
 None
 0.96A 3ucjA-3lxtA:
undetectable		 3ucjA-3lxtA:
23.72
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.
3pqy ALPHA CHAIN OF THE
6218-TCR
BETA CHAIN OF THE
6218-TCR

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		3 GLN E 112
PHE E 114
TYR D  42
 None
 0.99A 3ucjA-3pqyE:
undetectable		 3ucjA-3pqyE:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3psf TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		3 GLN A 735
PHE A1112
TYR A 883
 None
 0.88A 3ucjA-3psfA:
undetectable		 3ucjA-3psfA:
12.70
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.
3psi TRANSCRIPTION
ELONGATION FACTOR
SPT6

(Saccharomyces
cerevisiae) 		PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD) 		3 GLN A 735
PHE A1112
TYR A 883
 None
 0.82A 3ucjA-3psiA:
undetectable		 3ucjA-3psiA:
11.44
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.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 GLN A 256
PHE A 207
TYR A 117
 None
 0.86A 3ucjA-3rr1A:
undetectable		 3ucjA-3rr1A:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		3 GLN A  38
PHE A  66
TYR A  88
 AZI  A 230 (-3.9A)
AZI  A 230 (-4.6A)
AZI  A 230 ( 4.9A)
 0.35A 3ucjA-3ucnA:
35.1		 3ucjA-3ucnA:
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		3 GLN A 309
PHE A 330
TYR A 237
 None
 0.85A 3ucjA-3wnpA:
2.0		 3ucjA-3wnpA:
15.84
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		3 GLN B 335
PHE B  90
TYR B 352
 None
 0.85A 3ucjA-4aczB:
undetectable		 3ucjA-4aczB:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		3 GLN A 300
PHE A 293
TYR A 282
 None
 0.90A 3ucjA-4ap3A:
undetectable		 3ucjA-4ap3A:
19.31
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.
4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1

(Homo sapiens) 		PF00043
(GST_C) 		3 GLN B 150
PHE B 146
TYR B 121
 None
 0.95A 3ucjA-4bvxB:
undetectable		 3ucjA-4bvxB:
21.37
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		3 GLN A 138
PHE A  85
TYR A 107
 None
 1.00A 3ucjA-4e4rA:
undetectable		 3ucjA-4e4rA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		3 GLN A 244
PHE A 293
TYR A 326
 None
 0.95A 3ucjA-4haqA:
undetectable		 3ucjA-4haqA:
19.31
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.
4i9c RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE F

(Bacillus
subtilis) 		PF12895
(ANAPC3)
PF13424
(TPR_12) 		3 GLN A 183
PHE A  24
TYR A  66
 None
 0.89A 3ucjA-4i9cA:
undetectable		 3ucjA-4i9cA:
18.42
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		3 GLN A 440
PHE A 499
TYR A 489
 None
 0.87A 3ucjA-4ifqA:
undetectable		 3ucjA-4ifqA:
13.35
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.
4il3 STE24P

(Saccharomyces
mikatae) 		PF01435
(Peptidase_M48)
PF16491
(Peptidase_M48_N) 		3 GLN A  26
PHE A  29
TYR A 430
 None
 1.00A 3ucjA-4il3A:
undetectable		 3ucjA-4il3A:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 GLN A 354
PHE A 357
TYR A 302
 None
 0.94A 3ucjA-4k6mA:
undetectable		 3ucjA-4k6mA:
13.18
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		3 GLN A 141
PHE A 135
TYR A  58
 None
 1.00A 3ucjA-4lm8A:
undetectable		 3ucjA-4lm8A:
17.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		3 GLN A  36
PHE A  64
TYR A  86
 None
 0.49A 3ucjA-4o1jA:
25.1		 3ucjA-4o1jA:
33.71
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		3 GLN A 365
PHE A 362
TYR A 360
 None
 0.93A 3ucjA-4s3jA:
undetectable		 3ucjA-4s3jA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		3 GLN A 323
PHE A 305
TYR A 321
 None
 0.87A 3ucjA-4tn0A:
2.9		 3ucjA-4tn0A:
18.98
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.
4utf GLYCOSYL HYDROLASE
FAMILY 71

(Bacteroides
xylanisolvens) 		PF16317
(Glyco_hydro_99) 		3 GLN A 339
PHE A  91
TYR A 356
 None
 0.84A 3ucjA-4utfA:
undetectable		 3ucjA-4utfA:
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 GLN A 399
PHE A  42
TYR A 451
 None
 0.94A 3ucjA-4uwaA:
undetectable		 3ucjA-4uwaA:
5.36
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 3 GLN E 424
PHE E 408
TYR E 442
 None
 1.01A 3ucjA-4xmmE:
undetectable		 3ucjA-4xmmE:
12.24
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		3 GLN A 375
PHE A 292
TYR A 277
 OLC  A 501 ( 4.0A)
OLC  A 501 ( 4.5A)
OLC  A 501 (-3.6A)
 0.90A 3ucjA-4z3nA:
undetectable		 3ucjA-4z3nA:
18.69
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.
4zgz ANTIZYME INHIBITOR 1
ORNITHINE
DECARBOXYLASE
ANTIZYME 1

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02100
(ODC_AZ)
PF02784
(Orn_Arg_deC_N) 		3 GLN A 119
PHE B 218
TYR B 216
 None
 0.88A 3ucjA-4zgzA:
undetectable		 3ucjA-4zgzA:
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.
5axk TRNA(HIS)-5'-GUANYLY
LTRANSFERASE (THG1)
LIKE PROTEIN

(Methanosarcina
acetivorans) 		PF04446
(Thg1)
PF14413
(Thg1C) 		3 GLN A 131
PHE A 227
TYR A  65
 None
 0.89A 3ucjA-5axkA:
undetectable		 3ucjA-5axkA:
21.76
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.
5b0s LIN0857 PROTEIN

(Listeria
innocua) 		PF04041
(Glyco_hydro_130) 		3 GLN A 135
PHE A 131
TYR A 178
 None
 0.92A 3ucjA-5b0sA:
undetectable		 3ucjA-5b0sA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		3 GLN A 199
PHE A 197
TYR A 377
 None
 1.00A 3ucjA-5bukA:
undetectable		 3ucjA-5bukA:
18.83
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.
5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT

(Homo sapiens) 		PF12851
(Tet_JBP) 		3 GLN A1348
PHE A1368
TYR A1337
 None
 0.99A 3ucjA-5deuA:
undetectable		 3ucjA-5deuA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		3 GLN A 244
PHE A  24
TYR A  33
 None
 0.99A 3ucjA-5dzsA:
undetectable		 3ucjA-5dzsA:
24.74
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.
5e6t CAPSID

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		3 GLN A 259
PHE A 395
TYR A 386
 None
 1.01A 3ucjA-5e6tA:
undetectable		 3ucjA-5e6tA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecj PR DOMAIN ZINC
FINGER PROTEIN
14,PROTEIN CBFA2T2

(Mus musculus) 		PF00856
(SET)
PF07531
(TAFH) 		3 GLN A 149
PHE A 113
TYR A 176
 None
 0.92A 3ucjA-5ecjA:
undetectable		 3ucjA-5ecjA:
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		3 GLN A 451
PHE A 464
TYR A 437
 None
 0.76A 3ucjA-5ficA:
undetectable		 3ucjA-5ficA:
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		3 GLN A 451
PHE A 464
TYR A 437
 None
 0.86A 3ucjA-5hqnA:
undetectable		 3ucjA-5hqnA:
17.89
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		3 GLN A 453
PHE A 466
TYR A 439
 None
 0.81A 3ucjA-5i85A:
undetectable		 3ucjA-5i85A:
17.10
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.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		3 GLN A 351
PHE A 354
TYR A 299
 None
 0.90A 3ucjA-5iq6A:
undetectable		 3ucjA-5iq6A:
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.
5ixm LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04390
(LptE)
PF04453
(OstA_C) 		3 GLN A 309
PHE B 107
TYR A 437
 None
 0.82A 3ucjA-5ixmA:
undetectable		 3ucjA-5ixmA:
16.31
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.
5j1f PLECTIN,PLECTIN

(Homo sapiens) 		no annotation 3 GLN A 949
PHE A 941
TYR A 992
 None
 1.01A 3ucjA-5j1fA:
undetectable		 3ucjA-5j1fA:
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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		3 GLN A 209
PHE A 135
TYR A 158
 None
 0.99A 3ucjA-5jmdA:
undetectable		 3ucjA-5jmdA:
16.21
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		3 GLN A 273
PHE A 286
TYR A 259
 None
 0.82A 3ucjA-5karA:
undetectable		 3ucjA-5karA:
18.08
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1

(Rhodococcus
jostii) 		PF00296
(Bac_luciferase) 		3 GLN A 316
PHE A 319
TYR A   7
 None
 1.00A 3ucjA-5lxeA:
undetectable		 3ucjA-5lxeA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		3 GLN A 247
PHE A 297
TYR A 336
 None
 0.90A 3ucjA-5mchA:
undetectable		 3ucjA-5mchA:
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.
5mr4 GDNF FAMILY RECEPTOR
ALPHA-2

(Homo sapiens) 		no annotation 3 GLN C 291
PHE C 355
TYR C 217
 None
 0.96A 3ucjA-5mr4C:
undetectable		 3ucjA-5mr4C:
14.41
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.
5mr5 GDNF FAMILY RECEPTOR
ALPHA-2

(Homo sapiens) 		no annotation 3 GLN C 291
PHE C 355
TYR C 217
 None
 0.96A 3ucjA-5mr5C:
undetectable		 3ucjA-5mr5C:
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		3 GLN O 390
PHE O 386
TYR O 427
 None
 0.97A 3ucjA-5n5zO:
undetectable		 3ucjA-5n5zO:
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 3 GLN A 496
PHE A 191
TYR A 447
 None
 0.79A 3ucjA-5nd1A:
undetectable		 3ucjA-5nd1A:
17.62
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.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		3 GLN A  30
PHE A  58
TYR A  83
 FMT  A 304 (-3.8A)
FMT  A 304 (-4.6A)
FMT  A 304 (-3.4A)
 0.25A 3ucjA-5swcA:
22.0		 3ucjA-5swcA:
28.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 GLN A 353
PHE A 356
TYR A 301
 None
 0.93A 3ucjA-5tmhA:
2.1		 3ucjA-5tmhA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tsh TYPE IV PILUS
BIOGENESIS ATPASE
PILB

(Geobacter
metallireducens) 		PF00437
(T2SSE) 		3 GLN A 365
PHE A 360
TYR A 336
 None
 0.93A 3ucjA-5tshA:
undetectable		 3ucjA-5tshA:
17.60
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.
5u0p MEDIATOR COMPLEX
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14) 		3 GLN N 273
PHE N 224
TYR N 236
 None
 0.79A 3ucjA-5u0pN:
undetectable		 3ucjA-5u0pN:
12.57
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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		3 GLN A 183
PHE A 181
TYR A 148
 None
 0.74A 3ucjA-5vf3A:
undetectable		 3ucjA-5vf3A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		3 GLN A 307
PHE A 347
TYR A 364
 None
 0.92A 3ucjA-5vldA:
undetectable		 3ucjA-5vldA:
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.
5vo1 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 12

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 GLN A 383
PHE A 380
TYR A 379
 None
 0.92A 3ucjA-5vo1A:
undetectable		 3ucjA-5vo1A:
23.91
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.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		3 GLN A 310
PHE A 331
TYR A 238
 None
 0.95A 3ucjA-5x7hA:
undetectable		 3ucjA-5x7hA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 3 GLN A 153
PHE A 134
TYR A 184
 None
 0.92A 3ucjA-6bqcA:
undetectable		 3ucjA-6bqcA:
14.16
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 3 GLN E 845
PHE E 789
TYR E1218
 None
 0.87A 3ucjA-6c3pE:
undetectable		 3ucjA-6c3pE:
15.70
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 3 GLN A  76
PHE A 253
TYR A 178
 None
None
EDO  A 603 (-4.5A)
 0.87A 3ucjA-6eomA:
undetectable		 3ucjA-6eomA:
17.51
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.
1bwe PROTEIN (FERREDOXIN)

(Hydrogenibacillus
schlegelii) 		PF00037
(Fer4) 		5 VAL A  19
CYH A  42
GLY A  43
ALA A  44
ALA A  47
 None
SF4  A  79 (-2.1A)
None
SF4  A  79 ( 3.9A)
None
 1.15A 3ucjB-1bweA:
undetectable		 3ucjB-1bweA:
18.32
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 CYH A 287
ASP A 266
CYH A 264
GLY A 268
ALA A 269
 ZN  A 600 (-2.2A)
None
ZN  A 600 (-2.3A)
None
ZN  A 600 ( 4.4A)
 1.14A 3ucjB-1dcqA:
undetectable		 3ucjB-1dcqA:
21.51
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 149
HIS A 205
CYH A 208
GLY A 209
ALA A 213
 ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
ZN  A   1 (-4.7A)
None
 0.34A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 149
HIS A 205
CYH A 208
GLY A 210
ALA A 214
 ZN  A   1 (-2.4A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
None
 1.18A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 403
HIS A 459
CYH A 462
GLY A 463
ALA A 467
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
None
 0.40A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 CYH A 403
HIS A 459
CYH A 462
GLY A 464
ALA A 468
 ZN  A   2 (-2.3A)
ZN  A   2 (-3.2A)
ZN  A   2 (-2.2A)
None
None
 1.13A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 HIS A 205
CYH A 208
GLY A 209
ALA A 211
ALA A 213
 ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
ZN  A   1 (-4.7A)
None
None
 1.21A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 HIS A 205
CYH A 208
GLY A 210
ALA A 211
ALA A 214
 ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
None
None
 1.18A 3ucjB-1ddzA:
24.2		 3ucjB-1ddzA:
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.
1e8j RUBREDOXIN

(Desulfovibrio
gigas) 		PF00301
(Rubredoxin) 		5 CYH A   6
VAL A   8
CYH A  39
GLY A  43
ALA A  44
 None
 1.21A 3ucjB-1e8jA:
undetectable		 3ucjB-1e8jA:
12.39
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.
1e8j RUBREDOXIN

(Desulfovibrio
gigas) 		PF00301
(Rubredoxin) 		5 CYH A   9
VAL A   8
CYH A  39
GLY A  43
ALA A  44
 None
 1.13A 3ucjB-1e8jA:
undetectable		 3ucjB-1e8jA:
12.39
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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 ASP A1056
VAL A1298
ALA A1291
ALA A1287
THR A1300
 None
 1.15A 3ucjB-1eg7A:
4.2		 3ucjB-1eg7A:
19.18
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 ASP A 162
HIS A 220
CYH A 223
GLY A 225
ALA A 185
 ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.7A)
None
 1.20A 3ucjB-1ekjA:
22.5		 3ucjB-1ekjA:
28.69
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 CYH A 160
ASP A 162
HIS A 220
CYH A 223
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.7A)
 1.10A 3ucjB-1ekjA:
22.5		 3ucjB-1ekjA:
28.69
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.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		6 CYH A 160
ASP A 162
VAL A 184
HIS A 220
CYH A 223
GLY A 224
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ACT  A3001 ( 4.9A)
ZN  A4001 ( 3.2A)
ZN  A4001 ( 2.2A)
ACT  A3001 (-3.4A)
 0.36A 3ucjB-1ekjA:
22.5		 3ucjB-1ekjA:
28.69
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.
1g5c BETA-CARBONIC
ANHYDRASE

(Methanothermobacter
thermautotrophicus) 		PF00484
(Pro_CA) 		5 CYH A  32
ASP A  34
HIS A  87
CYH A  90
GLY A  91
 ZN  A1001 (-2.4A)
EPE  A2201 (-3.3A)
ZN  A1001 (-3.2A)
ZN  A1001 ( 2.3A)
None
 0.59A 3ucjB-1g5cA:
14.4		 3ucjB-1g5cA:
24.24
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 511
GLY A 467
ALA A 469
ALA A 471
THR A 336
 None
 1.16A 3ucjB-1gpeA:
undetectable		 3ucjB-1gpeA:
15.96
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.
1nvt SHIKIMATE
5'-DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ASP A 111
VAL A 143
GLY A 114
ALA A 115
ALA A 118
 None
 1.16A 3ucjB-1nvtA:
undetectable		 3ucjB-1nvtA:
23.45
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 441
GLY A 431
ALA A 432
ALA A  66
THR A 391
 None
 0.93A 3ucjB-1ozhA:
undetectable		 3ucjB-1ozhA:
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.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		5 ASP A  71
CYH A  70
GLY A  69
ALA A  68
THR A  10
 None
 1.18A 3ucjB-1qahA:
undetectable		 3ucjB-1qahA:
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.
1qwr MANNOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
subtilis) 		PF01238
(PMI_typeI) 		5 ASP A  88
VAL A 181
GLY A 178
ALA A 179
ALA A 127
 None
None
FMT  A 606 ( 4.6A)
None
None
 1.22A 3ucjB-1qwrA:
undetectable		 3ucjB-1qwrA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 VAL B 166
GLY B 323
ALA B 361
ALA B 325
THR B  99
 None
 1.18A 3ucjB-1t3qB:
undetectable		 3ucjB-1t3qB:
15.07
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.
1t9p RUBREDOXIN

(Clostridium
pasteurianum) 		PF00301
(Rubredoxin) 		5 CYH A   9
VAL A   8
CYH A  39
GLY A  43
ALA A  44
 FE  A  55 (-2.3A)
None
FE  A  55 (-2.3A)
None
FE  A  55 ( 4.6A)
 1.19A 3ucjB-1t9pA:
undetectable		 3ucjB-1t9pA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 ASP A 250
VAL A 287
GLY A 253
ALA A 254
ALA A 257
 None
 1.22A 3ucjB-1wyeA:
undetectable		 3ucjB-1wyeA:
23.00
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 5 ASP A  71
VAL A  23
GLY A  66
ALA A  65
ALA A  64
 None
 1.05A 3ucjB-1y8aA:
undetectable		 3ucjB-1y8aA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		7 CYH A  51
ASP A  53
HIS A 104
CYH A 107
GLY A 108
ALA A 109
ALA A 112
 ZN  A 401 ( 2.3A)
SCN  A 501 (-4.0A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 2.3A)
SCN  A 501 (-4.2A)
SCN  A 501 ( 4.4A)
None
 0.27A 3ucjB-2a5vA:
19.8		 3ucjB-2a5vA:
27.69
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 CYH A  51
HIS A 104
CYH A 107
ALA A 109
ALA A 113
 ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 2.3A)
SCN  A 501 ( 4.4A)
None
 1.15A 3ucjB-2a5vA:
19.8		 3ucjB-2a5vA:
27.69
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.
2aif RIBOSOMAL PROTEIN
L7A

(Cryptosporidium
parvum) 		PF01248
(Ribosomal_L7Ae) 		5 CYH A  98
GLY A  43
ALA A 107
ALA A  47
THR A 110
 None
 1.13A 3ucjB-2aifA:
undetectable		 3ucjB-2aifA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 CYH E 464
ASP E 443
CYH E 441
GLY E 445
ALA E 446
 ZN  E 698 (-2.3A)
None
ZN  E 698 (-2.3A)
None
ZN  E 698 ( 4.5A)
 1.15A 3ucjB-2b0oE:
undetectable		 3ucjB-2b0oE:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		6 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 103
ALA A 107
 ZN  A 300 (-2.3A)
ZN  A 300 (-3.1A)
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
None
 1.19A 3ucjB-2esfA:
27.1		 3ucjB-2esfA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
ALA A 107
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
 0.91A 3ucjB-2esfA:
27.1		 3ucjB-2esfA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		6 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 ZN  A 300 (-2.3A)
None
ZN  A 300 (-3.3A)
ZN  A 300 (-2.3A)
None
None
 0.29A 3ucjB-2esfA:
27.1		 3ucjB-2esfA:
36.56
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.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ASP A  73
VAL A  66
GLY A  76
ALA A  77
ALA A  80
 None
 1.02A 3ucjB-2exrA:
undetectable		 3ucjB-2exrA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fgy CARBOXYSOME SHELL
POLYPEPTIDE

(Halothiobacillus
neapolitanus) 		PF08936
(CsoSCA) 		5 CYH A 173
ASP A 175
HIS A 242
CYH A 253
ALA A 255
 ZN  A 620 (-2.2A)
ZN  A 620 ( 4.7A)
ZN  A 620 (-3.3A)
ZN  A 620 (-2.3A)
None
 0.26A 3ucjB-2fgyA:
7.8		 3ucjB-2fgyA:
19.00
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.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A  60
GLY A  93
ALA A  96
ALA A  95
THR A  34
 None
 1.19A 3ucjB-2oqhA:
undetectable		 3ucjB-2oqhA:
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.
2p57 GTPASE-ACTIVATING
PROTEIN ZNF289

(Homo sapiens) 		PF01412
(ArfGap) 		5 CYH A  49
ASP A  28
CYH A  26
GLY A  30
ALA A  31
 ZN  A 201 (-2.3A)
None
ZN  A 201 (-2.3A)
None
ZN  A 201 ( 4.5A)
 1.08A 3ucjB-2p57A:
undetectable		 3ucjB-2p57A:
20.16
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.
2prx THIOESTERASE
SUPERFAMILY PROTEIN

(Shewanella
loihica) 		PF03061
(4HBT) 		5 VAL A 129
GLY A  71
ALA A  73
ALA A  75
TRP A  34
 None
 1.15A 3ucjB-2prxA:
undetectable		 3ucjB-2prxA:
20.85
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 ASP A 252
VAL A 288
GLY A 255
ALA A 256
THR A 298
 None
None
ANP  A1315 (-3.0A)
AMP  A1316 ( 3.5A)
None
 1.20A 3ucjB-2varA:
undetectable		 3ucjB-2varA:
23.22
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.
2vq0 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 VAL A 169
GLY A  87
ALA A 247
ALA A 246
THR A 135
 None
 1.14A 3ucjB-2vq0A:
undetectable		 3ucjB-2vq0A:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 ASP A  70
HIS A 124
CYH A 127
GLY A 129
ALA A  93
 ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
None
 1.19A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		6 CYH A  68
ASP A  70
HIS A 124
CYH A 127
GLY A 129
ALA A 132
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
None
 1.31A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		7 CYH A  68
ASP A  70
VAL A  92
HIS A 124
CYH A 127
GLY A 128
ALA A 132
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ACT  A1233 ( 4.1A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.4A)
None
 0.25A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
HIS A 124
CYH A 127
GLY A 129
ALA A 133
 ZN  A1232 ( 2.2A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
ACT  A1233 (-3.9A)
None
 1.17A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
VAL A  92
HIS A 124
CYH A 127
ALA A 133
 ZN  A1232 ( 2.2A)
ACT  A1233 ( 4.1A)
ZN  A1232 ( 3.3A)
ZN  A1232 ( 2.3A)
None
 0.89A 3ucjB-2w3nA:
25.0		 3ucjB-2w3nA:
30.86
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 VAL A 126
GLY A 139
ALA A 140
ALA A 143
THR A 124
 None
 1.03A 3ucjB-2wk8A:
undetectable		 3ucjB-2wk8A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 263
ASP A 265
HIS A 315
CYH A 325
GLY A 326
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.7A)
 0.41A 3ucjB-3boeA:
undetectable		 3ucjB-3boeA:
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 263
VAL A 264
HIS A 315
CYH A 325
GLY A 326
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.7A)
 1.22A 3ucjB-3boeA:
undetectable		 3ucjB-3boeA:
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A  53
ASP A  55
HIS A 105
CYH A 115
GLY A 116
 CD  A1001 ( 2.4A)
ACT  A1002 ( 4.4A)
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.8A)
 0.41A 3ucjB-3bohA:
undetectable		 3ucjB-3bohA:
21.34
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A  53
VAL A  54
HIS A 105
CYH A 115
GLY A 116
 CD  A1001 ( 2.4A)
None
CD  A1001 (-3.5A)
CD  A1001 (-2.5A)
ACT  A1002 (-3.8A)
 1.22A 3ucjB-3bohA:
undetectable		 3ucjB-3bohA:
21.34
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.
3cez METHIONINE-R-SULFOXI
DE REDUCTASE

(Burkholderia
pseudomallei) 		PF01641
(SelR) 		5 CYH A  55
VAL A  57
CYH A 104
GLY A 108
ALA A 109
 ZN  A 201 (-2.2A)
ZN  A 201 ( 4.8A)
ZN  A 201 (-2.3A)
None
ZN  A 201 ( 4.4A)
 1.23A 3ucjB-3cezA:
undetectable		 3ucjB-3cezA:
20.70
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.
3cez METHIONINE-R-SULFOXI
DE REDUCTASE

(Burkholderia
pseudomallei) 		PF01641
(SelR) 		5 CYH A  58
VAL A  57
CYH A 104
GLY A 108
ALA A 109
 ZN  A 201 (-2.3A)
ZN  A 201 ( 4.8A)
ZN  A 201 (-2.3A)
None
ZN  A 201 ( 4.4A)
 1.21A 3ucjB-3cezA:
undetectable		 3ucjB-3cezA:
20.70
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.
3cwq PARA FAMILY
CHROMOSOME
PARTITIONING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01656
(CbiA) 		5 ASP A  92
CYH A  91
GLY A  90
ALA A  88
ALA A  86
 None
 1.21A 3ucjB-3cwqA:
undetectable		 3ucjB-3cwqA:
21.34
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.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 427
GLY A 417
ALA A 418
ALA A  59
THR A 377
 None
 0.92A 3ucjB-3eyaA:
undetectable		 3ucjB-3eyaA:
19.78
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.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		6 CYH A  57
ASP A  59
VAL A  80
HIS A 112
CYH A 115
GLY A 116
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ACT  A 222 (-4.2A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.2A)
 0.26A 3ucjB-3eyxA:
23.8		 3ucjB-3eyxA:
29.06
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.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
VAL A  80
HIS A 112
CYH A 115
GLY A 117
 ZN  A   1 ( 2.3A)
ACT  A 222 (-4.2A)
ZN  A   1 (-3.2A)
ZN  A   1 ( 2.2A)
ACT  A 222 (-3.6A)
 0.99A 3ucjB-3eyxA:
23.8		 3ucjB-3eyxA:
29.06
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.
3feh CENTAURIN-ALPHA-1

(Homo sapiens) 		PF00169
(PH)
PF01412
(ArfGap) 		5 CYH A  44
ASP A  23
CYH A  21
GLY A  25
ALA A  26
 ZN  A 375 (-2.3A)
None
ZN  A 375 (-2.3A)
None
ZN  A 375 ( 4.7A)
 1.14A 3ucjB-3fehA:
undetectable		 3ucjB-3fehA:
21.54
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.
3fkq NTRC-LIKE TWO-DOMAIN
PROTEIN

([Eubacterium]
rectale) 		PF13614
(AAA_31) 		5 ASP A  51
VAL A   5
CYH A  70
GLY A  71
ALA A  73
 None
 1.18A 3ucjB-3fkqA:
undetectable		 3ucjB-3fkqA:
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.
3jvv TWITCHING MOBILITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00437
(T2SSE) 		5 ASP A  31
GLY A  14
ALA A  15
ALA A  11
THR A  98
 None
 1.02A 3ucjB-3jvvA:
undetectable		 3ucjB-3jvvA:
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		6 CYH A  38
ASP A  40
HIS A  91
CYH A  94
GLY A  95
ALA A  96
 ZN  A 167 (-2.2A)
None
ZN  A 167 (-3.2A)
ZN  A 167 (-2.3A)
ZN  A 167 ( 4.8A)
None
 0.88A 3ucjB-3lasA:
14.6		 3ucjB-3lasA:
24.39
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ASP A 112
VAL A 114
GLY A 110
ALA A 108
THR A 129
 None
 1.20A 3ucjB-3lftA:
3.6		 3ucjB-3lftA:
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.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 CYH E 464
ASP E 443
CYH E 441
GLY E 445
ALA E 446
 ZN  E 735 (-2.2A)
None
ZN  E 735 (-2.4A)
None
ZN  E 735 ( 4.4A)
 1.13A 3ucjB-3lvrE:
undetectable		 3ucjB-3lvrE:
18.86
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.
3m6m RPFF PROTEIN

(Xanthomonas
campestris) 		PF00378
(ECH_1) 		5 VAL A  73
HIS A 147
GLY A 120
ALA A 125
ALA A 123
 None
 1.01A 3ucjB-3m6mA:
undetectable		 3ucjB-3m6mA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
HIS A  98
GLY A 103
ALA A 107
 CO  A 230 (-2.2A)
CO  A 230 (-3.1A)
CO  A 230 (-2.9A)
None
None
 1.21A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
HIS A  98
CYH A 101
GLY A 103
ALA A 107
 CO  A 230 (-2.2A)
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
None
 1.13A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
ALA A 107
 CO  A 230 (-2.2A)
None
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
 0.88A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		6 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 CO  A 230 (-2.2A)
None
CO  A 230 (-2.9A)
CO  A 230 (-2.1A)
None
None
 0.47A 3ucjB-3mf3A:
24.6		 3ucjB-3mf3A:
38.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 VAL A  26
GLY A 206
ALA A 208
ALA A 204
THR A  28
 None
 1.16A 3ucjB-3q1tA:
undetectable		 3ucjB-3q1tA:
23.16
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.
3teo CARBON DISULFIDE
HYDROLASE

(Acidianus sp.
A1-3) 		PF00484
(Pro_CA) 		5 CYH A  35
ASP A  37
HIS A  88
CYH A  91
GLY A  92
 CL  A 205 (-4.3A)
None
CL  A 205 (-4.6A)
CL  A 205 ( 4.7A)
None
 0.93A 3ucjB-3teoA:
13.5		 3ucjB-3teoA:
24.59
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		5 VAL A 251
GLY A 259
ALA A 261
ALA A 263
TRP A 166
 SO4  A 331 (-4.5A)
SO4  A 331 ( 4.1A)
SO4  A 331 (-3.8A)
None
None
 1.18A 3ucjB-3tt2A:
undetectable		 3ucjB-3tt2A:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		10 CYH A  47
ASP A  49
VAL A  71
HIS A 103
CYH A 106
GLY A 107
ALA A 108
ALA A 111
TRP A 115
THR A 123
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
None
ZN  A 228 ( 3.3A)
ZN  A 228 ( 2.3A)
AZI  A 229 (-4.1A)
AZI  A 229 ( 4.6A)
None
None
None
 0.30A 3ucjB-3ucnA:
35.0		 3ucjB-3ucnA:
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 473
ASP A 475
HIS A 525
CYH A 535
GLY A 536
 CD  A 700 ( 2.4A)
ACT  A 800 ( 4.1A)
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
ACT  A 800 (-3.7A)
 0.41A 3ucjB-3uk8A:
undetectable		 3ucjB-3uk8A:
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 CYH A 473
VAL A 474
HIS A 525
CYH A 535
GLY A 536
 CD  A 700 ( 2.4A)
None
CD  A 700 (-3.5A)
CD  A 700 (-2.4A)
ACT  A 800 (-3.7A)
 1.22A 3ucjB-3uk8A:
undetectable		 3ucjB-3uk8A:
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		5 CYH A  44
ASP A  46
HIS A  97
CYH A 100
ALA A 147
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
None
 1.11A 3ucjB-3vrkA:
14.2		 3ucjB-3vrkA:
28.11
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		6 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
ALA A 104
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
None
 1.14A 3ucjB-3vrkA:
14.2		 3ucjB-3vrkA:
28.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  45
ASP A  47
HIS A 101
CYH A 104
GLY A 105
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
None
 0.32A 3ucjB-4o1jA:
25.9		 3ucjB-4o1jA:
33.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  45
ASP A  47
HIS A 101
CYH A 104
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.4A)
ZN  A 301 (-2.3A)
None
 1.12A 3ucjB-4o1jA:
25.9		 3ucjB-4o1jA:
33.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  56
HIS A 112
CYH A 115
GLY A 116
ALA A 120
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
None
 0.35A 3ucjB-4o1kA:
24.7		 3ucjB-4o1kA:
39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1k CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		5 CYH A  56
HIS A 112
CYH A 115
GLY A 117
ALA A 121
 ZN  A 301 (-2.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.2A)
None
None
 1.11A 3ucjB-4o1kA:
24.7		 3ucjB-4o1kA:
39.67
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.
4oln ANCSR1

(synthetic
construct) 		PF00105
(zf-C4) 		5 CYH A  10
ASP A  12
CYH A  24
GLY A  26
ALA A  29
 ZN  A 101 (-2.2A)
None
ZN  A 101 (-2.3A)
None
None
 1.21A 3ucjB-4olnA:
undetectable		 3ucjB-4olnA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 445
GLY A 435
ALA A 436
ALA A  70
THR A 395
 None
 1.01A 3ucjB-4rjkA:
undetectable		 3ucjB-4rjkA:
18.57
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.
4w2r ENHANCER OF ZESTE 2
POLYCOMB REPRESSIVE
COMPLEX 2 SUBUNIT

(Anolis
carolinensis) 		no annotation 5 CYH A 463
CYH A 485
GLY A 486
ALA A 487
TRP A 491
 ZN  A 704 ( 2.3A)
ZN  A 705 (-2.5A)
None
ZN  A 705 ( 4.3A)
None
 1.20A 3ucjB-4w2rA:
undetectable		 3ucjB-4w2rA:
15.42
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.
4y5z IMMUNOGLOBULIN
G-BINDING PROTEIN
A,COAT PROTEIN

(Sesbania mosaic
virus;
Staphylococcus
aureus) 		no annotation 5 VAL A 169
GLY A  87
ALA A 247
ALA A 246
THR A 135
 None
 1.18A 3ucjB-4y5zA:
undetectable		 3ucjB-4y5zA:
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.
5b5x LIMITING
CO2-INDUCIBLE
PROTEIN LCIC

(Chlamydomonas
reinhardtii) 		no annotation 6 CYH A 119
ASP A 121
HIS A 179
CYH A 203
GLY A 204
ALA A 205
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.2A)
ZN  A 500 (-2.5A)
None
None
 0.39A 3ucjB-5b5xA:
7.5		 3ucjB-5b5xA:
22.15
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 6 ASP A  48
HIS A 102
CYH A 126
GLY A 127
ALA A 129
ALA A 131
 ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
None
None
 1.31A 3ucjB-5b5zA:
12.3		 3ucjB-5b5zA:
22.53
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 CYH A  46
ASP A  48
HIS A 102
CYH A 126
ALA A 132
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
 1.01A 3ucjB-5b5zA:
12.3		 3ucjB-5b5zA:
22.53
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 6 CYH A  46
ASP A  48
HIS A 102
CYH A 126
GLY A 127
ALA A 131
 ZN  A 500 (-2.2A)
ZN  A 500 ( 4.8A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
None
 0.37A 3ucjB-5b5zA:
12.3		 3ucjB-5b5zA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 ASP A  44
HIS A  98
CYH A 101
GLY A 103
ALA A  67
 CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 (-3.7A)
CO2  A 302 ( 4.8A)
 1.19A 3ucjB-5bq1A:
27.3		 3ucjB-5bq1A:
39.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		6 CYH A  42
ASP A  44
HIS A  98
CYH A 101
GLY A 103
ALA A 106
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 (-3.7A)
None
 1.30A 3ucjB-5bq1A:
27.3		 3ucjB-5bq1A:
39.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		7 CYH A  42
ASP A  44
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
CO2  A 302 (-4.0A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
CO2  A 302 ( 4.5A)
None
 0.26A 3ucjB-5bq1A:
27.3		 3ucjB-5bq1A:
39.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		5 CYH A  42
VAL A  66
HIS A  98
CYH A 101
ALA A 107
 ZN  A 301 (-2.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
None
 1.06A 3ucjB-5cxkA:
26.2		 3ucjB-5cxkA:
38.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		6 CYH A  42
VAL A  66
HIS A  98
CYH A 101
GLY A 102
ALA A 106
 ZN  A 301 (-2.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.0A)
None
None
 0.37A 3ucjB-5cxkA:
26.2		 3ucjB-5cxkA:
38.26
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 VAL A  80
GLY A  96
ALA A  97
ALA A 100
THR A  74
 None
 0.90A 3ucjB-5d6nA:
undetectable		 3ucjB-5d6nA:
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 VAL A  52
GLY A  45
ALA A  48
ALA A  27
THR A  79
 None
 1.18A 3ucjB-5ey7A:
undetectable		 3ucjB-5ey7A:
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 VAL A  80
GLY A  96
ALA A  97
ALA A 100
THR A  74
 None
 0.95A 3ucjB-5ey8A:
undetectable		 3ucjB-5ey8A:
17.78
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.
5k5w LIMITING
CO2-INDUCIBLE
PROTEIN LCIB

(Chlamydomonas
reinhardtii) 		no annotation 7 CYH A 120
ASP A 122
HIS A 180
CYH A 204
GLY A 205
ALA A 206
ALA A 209
 ZN  A 500 (-2.3A)
ZN  A 500 ( 4.9A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.3A)
None
None
None
 0.47A 3ucjB-5k5wA:
13.3		 3ucjB-5k5wA:
22.93
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.
5oqp CONDENSIN COMPLEX
SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 CYH A 750
CYH A 711
GLY A 709
ALA A 707
ALA A 706
 None
 1.16A 3ucjB-5oqpA:
undetectable		 3ucjB-5oqpA:
13.48
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.
5swc CARBONIC ANHYDRASE

(Synechocystis
sp. PCC 6803) 		PF00484
(Pro_CA) 		6 CYH A  39
ASP A  41
HIS A  98
CYH A 101
GLY A 102
ALA A 103
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.3A)
ZN  A 301 (-2.3A)
None
None
 0.33A 3ucjB-5swcA:
22.7		 3ucjB-5swcA:
28.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 CYH A  10
VAL A   8
ALA A  24
ALA A  27
THR A 429
 None
 1.22A 3ucjB-5xmjA:
undetectable		 3ucjB-5xmjA:
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.
5xsj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Clostridium
beijerinckii) 		PF13407
(Peripla_BP_4) 		5 CYH X 203
ASP X 208
GLY X 211
ALA X 212
ALA X 215
 None
 1.12A 3ucjB-5xsjX:
3.3		 3ucjB-5xsjX:
22.00
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.
5ztp CARBONIC ANHYDRASE

(Glaciozyma
antarctica) 		no annotation 5 CYH A  38
ASP A  40
HIS A  90
CYH A  93
GLY A  94
 SO4  A 201 (-1.3A)
SO4  A 201 (-3.5A)
SO4  A 201 (-3.0A)
SO4  A 201 (-1.2A)
SO4  A 201 (-3.7A)
 0.42A 3ucjB-5ztpA:
14.4		 3ucjB-5ztpA:
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 5 VAL X  75
CYH X  69
GLY X  70
ALA X  71
ALA X  66
 None
SF4  X 701 (-2.2A)
None
SF4  X 701 ( 4.2A)
None
 1.17A 3ucjB-6elqX:
undetectable		 3ucjB-6elqX:
16.36