SIMILAR PATTERNS OF AMINO ACIDS FOR 2CL5_B_SAMB1217

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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.76A 2cl5B-1susA:
21.7		 2cl5B-1susA:
25.48
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A  62
GLU A  15
TYR A  32
HIS A  16
ARG A  40
 None
 1.22A 2cl5B-1vkzA:
3.7		 2cl5B-1vkzA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 MET B 682
ASN B 683
VAL B 684
TYR B 720
MET B 725
 None
 1.44A 2cl5B-2bkuB:
undetectable		 2cl5B-2bkuB:
14.53
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.
2oy3 MACROPHAGE RECEPTOR
MARCO

(Mus musculus) 		PF00530
(SRCR) 		5 ASN A 486
VAL A 485
GLU A 491
GLY A 489
ARG A 466
 None
 1.29A 2cl5B-2oy3A:
undetectable		 2cl5B-2oy3A:
17.19
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.
2ws9 P1
P1

(Equine rhinitis
A virus;
Equine rhinitis
A virus) 		no annotation
PF00073
(Rhv) 		5 ASN 1   3
VAL 1   1
GLU 1   9
GLY 1   8
ARG 3 135
 None
 1.44A 2cl5B-2ws91:
undetectable		 2cl5B-2ws91:
19.16
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ASN A 422
GLU A 419
GLY A 425
TYR A 423
TYR A 421
 None
 1.38A 2cl5B-3akfA:
undetectable		 2cl5B-3akfA:
19.07
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		5 ASN A 274
VAL A 273
GLY A 209
TYR A  34
MET A  25
 None
 1.50A 2cl5B-3b8yA:
0.2		 2cl5B-3b8yA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		11 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.39A 2cl5B-3bwmA:
39.7		 2cl5B-3bwmA:
81.31
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.
3f8u TAPASIN

(Homo sapiens) 		PF07654
(C1-set) 		5 VAL B 150
GLU B 246
GLY B 247
TYR B 269
ARG B 187
 None
 1.39A 2cl5B-3f8uB:
undetectable		 2cl5B-3f8uB:
21.81
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.39A 2cl5B-3fsgA:
2.7		 2cl5B-3fsgA:
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 MET X 412
ASN X 413
GLY X 437
HIS X 464
ARG X 496
 None
 1.38A 2cl5B-3kvnX:
undetectable		 2cl5B-3kvnX:
15.93
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ASN A 104
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 0.51A 2cl5B-3ntvA:
21.3		 2cl5B-3ntvA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 VAL A 198
GLY A  55
TYR A 344
TRP A 170
ARG A  52
 None
 1.26A 2cl5B-3up4A:
1.6		 2cl5B-3up4A:
17.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
TYR A 114
ASN A 135
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
None
None
None
 0.55A 2cl5B-4p58A:
33.5		 2cl5B-4p58A:
97.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLU A 107
GLY A 109
TYR A 138
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
None
None
 0.92A 2cl5B-4p58A:
33.5		 2cl5B-4p58A:
97.64
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.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 MET A 211
VAL A 217
GLY A  22
HIS A  24
ARG A   8
 None
 1.49A 2cl5B-4u02A:
undetectable		 2cl5B-4u02A:
23.35
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.55A 2cl5B-5kvaA:
21.9		 2cl5B-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.53A 2cl5B-5kvaA:
21.9		 2cl5B-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ASN A 605
GLU A 424
GLY A 608
MET A 611
HIS A 425
 None
 1.32A 2cl5B-5n4lA:
undetectable		 2cl5B-5n4lA:
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.
1eq9 CHYMOTRYPSIN

(Solenopsis
invicta) 		PF00089
(Trypsin) 		4 SER A 233
TYR A 228
GLN A 167
ASP A 127
 None
 1.20A 2cl5B-1eq9A:
0.0		 2cl5B-1eq9A:
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.
1fi4 MEVALONATE
5-DIPHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N) 		4 GLU A  88
SER A 100
GLN A 101
ASP A  81
 None
 1.22A 2cl5B-1fi4A:
0.0		 2cl5B-1fi4A:
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.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 SER A 195
GLU A 188
GLN A 357
ASP A 374
 None
 1.41A 2cl5B-1gtmA:
3.0		 2cl5B-1gtmA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 TYR A 873
SER A 859
GLN A 787
ASP A 863
 None
 1.26A 2cl5B-1hn0A:
0.0		 2cl5B-1hn0A:
12.41
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 SER A  58
GLU A 358
TYR A 343
ASP A 363
 None
 1.32A 2cl5B-1mz5A:
0.0		 2cl5B-1mz5A:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 TYR A  50
SER A 470
GLN A 438
ASP A 466
 None
 1.35A 2cl5B-1ndfA:
0.0		 2cl5B-1ndfA:
16.79
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.
1o0e ERVATAMIN C

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 TYR A  72
SER A  49
GLN A  84
ASP A  57
 None
 1.38A 2cl5B-1o0eA:
0.0		 2cl5B-1o0eA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rfe HYPOTHETICAL PROTEIN
RV2991

(Mycobacterium
tuberculosis) 		PF01243
(Putative_PNPOx) 		4 SER A  22
SER A 144
GLN A   5
ASP A  18
 None
 1.39A 2cl5B-1rfeA:
0.0		 2cl5B-1rfeA:
24.66
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.
1sg1 TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
16

(Rattus
norvegicus) 		PF00020
(TNFR_c6) 		4 SER X 127
SER X 109
GLN X 111
ASP X 134
 None
 1.39A 2cl5B-1sg1X:
undetectable		 2cl5B-1sg1X:
19.37
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  59
GLU A 197
TYR A 364
SER A 173
 None
FAD  A 480 ( 4.8A)
FAD  A 480 (-4.4A)
FAD  A 480 (-3.9A)
 1.17A 2cl5B-1v59A:
2.9		 2cl5B-1v59A:
17.08
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 SER A  52
GLU A  58
SER A 591
GLN A 580
 None
 1.39A 2cl5B-1xc6A:
undetectable		 2cl5B-1xc6A:
12.98
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.
1yhf HYPOTHETICAL PROTEIN
SPY1581

(Streptococcus
pyogenes) 		PF07883
(Cupin_2) 		4 TYR A  96
SER A  43
GLN A 102
ASP A  24
 None
 1.27A 2cl5B-1yhfA:
undetectable		 2cl5B-1yhfA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ztv HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF01904
(DUF72) 		4 SER A  92
TYR A  78
SER A  70
GLN A  72
 None
 1.28A 2cl5B-1ztvA:
undetectable		 2cl5B-1ztvA:
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 GLU A  88
TYR A  53
GLN A 187
ASP A 282
 PO4  A 401 (-3.2A)
None
None
None
 1.41A 2cl5B-1zwxA:
2.0		 2cl5B-1zwxA:
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  60
GLU A 192
TYR A 359
SER A 168
 None
FAD  A4750 ( 4.3A)
FAD  A4750 (-4.4A)
FAD  A4750 ( 4.0A)
 1.04A 2cl5B-1zy8A:
undetectable		 2cl5B-1zy8A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		4 GLU A  53
TYR A  18
GLN A 153
ASP A 253
 MG  A 310 (-2.4A)
None
None
None
 1.39A 2cl5B-2ddtA:
2.0		 2cl5B-2ddtA:
21.66
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.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 SER A 188
GLU A 445
TYR A 141
SER A 178
 None
 1.36A 2cl5B-2ihmA:
undetectable		 2cl5B-2ihmA:
21.53
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.
2jky HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 SER A  67
GLU A 194
TYR A 191
SER A  74
 MG  A 302 ( 3.8A)
5GP  A 300 (-2.7A)
5GP  A 300 (-4.6A)
None
 1.19A 2cl5B-2jkyA:
4.0		 2cl5B-2jkyA:
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		4 SER A 435
GLU A 428
GLN A 544
ASP A 555
 None
 1.13A 2cl5B-2qqpA:
undetectable		 2cl5B-2qqpA:
16.91
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.30A 2cl5B-2whlA:
undetectable		 2cl5B-2whlA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 GLU A 699
TYR A 682
SER A 701
ASP A 664
 None
None
GTP  A1724 (-3.6A)
None
 1.40A 2cl5B-2wkpA:
undetectable		 2cl5B-2wkpA:
21.57
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 SER A 208
GLU A 156
TYR A  69
SER A 217
 CA  A1447 (-4.7A)
None
None
None
 1.23A 2cl5B-2xfgA:
undetectable		 2cl5B-2xfgA:
18.70
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.
2znw SCFV10

(Mus musculus;
synthetic
construct) 		PF07686
(V-set) 		4 SER A 184
TYR A 169
GLN A   6
ASP A   1
 None
 1.37A 2cl5B-2znwA:
undetectable		 2cl5B-2znwA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abs ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN

(Escherichia
coli) 		PF05985
(EutC) 		4 SER B 289
GLU B 210
TYR B 241
ASP B 255
 None
 1.40A 2cl5B-3absB:
undetectable		 2cl5B-3absB:
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 SER A 350
TYR A 365
SER A 524
GLN A 536
 None
LGU  A1002 (-3.5A)
None
None
 1.18A 2cl5B-3aflA:
undetectable		 2cl5B-3aflA:
14.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
 0.21A 2cl5B-3bwmA:
39.7		 2cl5B-3bwmA:
81.31
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.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		4 SER A  46
GLU A 248
GLN A  32
ASP A  43
 None
 1.16A 2cl5B-3by9A:
undetectable		 2cl5B-3by9A:
19.17
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.
3dlt ESTERASE D

(Lactobacillus
rhamnosus) 		PF12146
(Hydrolase_4) 		4 TYR A  24
SER A 117
GLN A 184
ASP A  30
 None
 1.40A 2cl5B-3dltA:
undetectable		 2cl5B-3dltA:
18.77
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.
3ds8 LIN2722 PROTEIN

(Listeria
innocua) 		PF06028
(DUF915) 		4 SER A 195
SER A  12
GLN A  70
ASP A 136
 None
SO4  A 255 ( 2.6A)
None
None
 1.42A 2cl5B-3ds8A:
3.3		 2cl5B-3ds8A:
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.
3gfv UNCHARACTERIZED ABC
TRANSPORTER
SOLUTE-BINDING
PROTEIN YCLQ

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		4 SER A 245
TYR A 275
SER A 217
ASP A 181
 None
PO4  A 304 (-4.5A)
None
None
 1.33A 2cl5B-3gfvA:
undetectable		 2cl5B-3gfvA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 SER A 136
GLU A 144
SER A 180
GLN A 257
 None
 1.25A 2cl5B-3ib3A:
undetectable		 2cl5B-3ib3A:
17.23
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		4 SER A 297
GLU A  76
SER A  68
ASP A 299
 None
 1.24A 2cl5B-3jugA:
undetectable		 2cl5B-3jugA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 SER A 756
SER A 583
GLN A 572
ASP A 774
 None
 1.33A 2cl5B-3k4xA:
undetectable		 2cl5B-3k4xA:
14.96
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.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 SER A  95
SER A 445
GLN A 451
ASP A 458
 EDO  A   2 ( 2.7A)
None
None
EDO  A   2 (-3.7A)
 1.23A 2cl5B-3kyaA:
undetectable		 2cl5B-3kyaA:
18.33
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  63
GLU A 194
TYR A 357
SER A 170
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.1A)
 1.17A 2cl5B-3ladA:
undetectable		 2cl5B-3ladA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqm PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00439
(Bromodomain) 		4 SER A2453
TYR A2538
GLN A2548
ASP A2449
 None
 1.16A 2cl5B-3mqmA:
undetectable		 2cl5B-3mqmA:
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 SER A 274
TYR A 363
SER A 373
ASP A 294
 None
SO4  A   5 (-4.6A)
None
M3R  A 430 (-3.2A)
 1.40A 2cl5B-3mtwA:
undetectable		 2cl5B-3mtwA:
20.84
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		4 SER B1551
GLU B1276
TYR B1424
GLN B1522
 None
 1.38A 2cl5B-3myrB:
undetectable		 2cl5B-3myrB:
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		4 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.33A 2cl5B-3myrA:
undetectable		 2cl5B-3myrA:
21.66
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.
3nhe UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2

(Homo sapiens) 		PF00443
(UCH) 		4 SER A 421
SER A 442
GLN A 359
ASP A 436
 None
 1.34A 2cl5B-3nheA:
undetectable		 2cl5B-3nheA:
19.32
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		4 SER B 297
TYR B 248
SER B 243
GLN B 276
 None
 1.39A 2cl5B-3nvnB:
undetectable		 2cl5B-3nvnB:
19.53
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		4 SER A 348
GLU A 288
SER A 212
ASP A 219
 None
 1.37A 2cl5B-3qpfA:
undetectable		 2cl5B-3qpfA:
20.05
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.
3r6n DESMOPLAKIN

(Homo sapiens) 		no annotation 4 GLU A 293
TYR A 296
GLN A 318
ASP A 369
 None
None
DTT  A   3 (-3.6A)
None
 1.34A 2cl5B-3r6nA:
undetectable		 2cl5B-3r6nA:
21.23
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.
3tek THERMODBP-SINGLE
STRANDED DNA BINDING
PROTEIN

(Thermoproteus
tenax) 		no annotation 4 SER A  63
GLU A  12
SER A 119
GLN A 139
 None
 1.38A 2cl5B-3tekA:
undetectable		 2cl5B-3tekA:
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  56
GLU A 189
TYR A 354
SER A 165
 None
FAD  A 500 ( 4.5A)
FAD  A 500 (-4.5A)
FAD  A 500 (-3.5A)
 1.11A 2cl5B-3urhA:
undetectable		 2cl5B-3urhA:
18.76
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		4 GLU A  12
TYR A  41
SER A 330
ASP A  28
 None
 1.07A 2cl5B-3us8A:
undetectable		 2cl5B-3us8A:
20.71
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 SER A  49
TYR A  93
SER A 263
ASP A 324
 None
 1.41A 2cl5B-3va6A:
undetectable		 2cl5B-3va6A:
14.77
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1

(Mus musculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 SER A 245
GLU A 106
SER A 103
ASP A 126
 None
 1.29A 2cl5B-3wcyA:
undetectable		 2cl5B-3wcyA:
17.82
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.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		4 TYR A 132
SER A 195
GLN A 212
ASP A 308
 None
 1.25A 2cl5B-4b2gA:
undetectable		 2cl5B-4b2gA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwr PROTEIN
CORRESPONDING TO
LOCUS C5321 FROM
CFT073 E.COLI STRAIN

(Escherichia
coli) 		PF08238
(Sel1) 		4 SER A 219
TYR A 240
SER A 232
ASP A 204
 None
EDO  A1494 (-3.9A)
EDO  A1493 ( 3.7A)
None
 1.30A 2cl5B-4bwrA:
undetectable		 2cl5B-4bwrA:
16.60
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		4 SER A 229
GLU A 177
TYR A  90
SER A 238
 EDO  A 522 (-3.3A)
None
None
None
 1.20A 2cl5B-4doeA:
undetectable		 2cl5B-4doeA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 GLU A 236
TYR A 190
SER A 215
ASP A 195
 None
 1.26A 2cl5B-4dqvA:
6.3		 2cl5B-4dqvA:
19.36
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 SER A 310
GLU A 323
SER A 295
GLN A 292
 EDO  A 503 (-3.0A)
None
None
None
 1.28A 2cl5B-4efcA:
undetectable		 2cl5B-4efcA:
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 SER A 343
TYR A 267
GLN A 325
ASP A 349
 None
 1.33A 2cl5B-4el8A:
undetectable		 2cl5B-4el8A:
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLU A 297
TYR A 296
SER A 284
ASP A1166
 None
 1.20A 2cl5B-4f4cA:
undetectable		 2cl5B-4f4cA:
10.60
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA
MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii;
Azotobacter
vinelandii) 		PF00696
(AA_kinase)
PF00696
(AA_kinase) 		4 GLU A 159
TYR A 155
SER A 163
GLN B  23
 None
 1.34A 2cl5B-4f6tA:
undetectable		 2cl5B-4f6tA:
20.30
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 GLU A  15
TYR A  44
SER A 335
ASP A  31
 None
 1.10A 2cl5B-4hcxA:
undetectable		 2cl5B-4hcxA:
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.
4irt UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15892
(BNR_4) 		4 GLU A 414
SER A  31
GLN A 418
ASP A  60
 None
 1.40A 2cl5B-4irtA:
undetectable		 2cl5B-4irtA:
19.01
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 SER A 205
TYR A 165
SER A 139
ASP A 101
 None
 1.00A 2cl5B-4jcmA:
undetectable		 2cl5B-4jcmA:
16.06
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 GLU A 552
TYR A  39
GLN A 628
ASP A 654
 None
 1.31A 2cl5B-4k0eA:
undetectable		 2cl5B-4k0eA:
12.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLU A 133
TYR A 138
SER A 162
GLN A 163
ASP A 184
 2F6  A 301 (-2.7A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 0.52A 2cl5B-4p58A:
33.5		 2cl5B-4p58A:
97.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 SER A 115
GLU A 133
TYR A 138
SER A 162
ASP A 184
 None
2F6  A 301 (-2.7A)
None
2F6  A 301 (-3.2A)
None
 0.70A 2cl5B-4p58A:
33.5		 2cl5B-4p58A:
97.64
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.
4p6q MSX2-INTERACTING
PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		4 SER A 602
SER A 591
GLN A 482
ASP A 549
 None
 1.38A 2cl5B-4p6qA:
undetectable		 2cl5B-4p6qA:
20.68
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.
4pls ARM00010

(synthetic
construct) 		PF00514
(Arm) 		4 SER A  40
GLU A  72
SER A  30
GLN A  26
 None
 1.09A 2cl5B-4plsA:
undetectable		 2cl5B-4plsA:
25.26
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		4 SER A 230
GLU A 178
TYR A 485
SER A 180
 None
 1.31A 2cl5B-4r0vA:
undetectable		 2cl5B-4r0vA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 462
GLU A 515
SER A 489
GLN A 491
 None
 1.08A 2cl5B-4rvwA:
undetectable		 2cl5B-4rvwA:
14.34
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.
4v19 MITORIBOSOMAL
PROTEIN BL32M,
MRPL32

(Sus scrofa) 		PF01783
(Ribosomal_L32p) 		4 GLU 5 163
TYR 5 160
SER 5 166
GLN 5 168
 None
 1.38A 2cl5B-4v195:
undetectable		 2cl5B-4v195:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 GLU A 393
TYR A 394
GLN A 103
ASP A 189
 TRS  A 501 (-3.7A)
None
TRS  A 501 (-3.4A)
None
 1.42A 2cl5B-4wvaA:
undetectable		 2cl5B-4wvaA:
20.44
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.
4zem TRANSLATION
INITIATION FACTOR
EIF2B-LIKE
PROTEIN,TRANSLATION
INITIATION FACTOR
EIF2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		4 SER A 346
GLU A 339
GLN A 416
ASP A 343
 None
 1.35A 2cl5B-4zemA:
4.9		 2cl5B-4zemA:
17.84
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.
5a01 O-GLYCOSYLTRANSFERAS
E

(Drosophila
melanogaster) 		PF13374
(TPR_10)
PF13414
(TPR_11)
PF13844
(Glyco_transf_41) 		4 SER A 428
SER A 533
GLN A 525
ASP A 459
 None
 1.39A 2cl5B-5a01A:
4.4		 2cl5B-5a01A:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 SER A 342
TYR A 262
GLN A 323
ASP A 348
 None
 1.38A 2cl5B-5bv9A:
undetectable		 2cl5B-5bv9A:
14.67
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.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		4 SER B 220
TYR B 224
SER B 171
ASP B 234
 None
 1.37A 2cl5B-5c8sB:
4.5		 2cl5B-5c8sB:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		4 SER A1068
TYR A 896
SER A 913
ASP A 907
 None
None
MTT  A2003 ( 3.8A)
None
 1.35A 2cl5B-5d0fA:
undetectable		 2cl5B-5d0fA:
9.17
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.
5d9a RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza C
virus) 		PF00602
(Flu_PB1) 		4 SER B 444
GLU B 492
SER B 483
ASP B 446
 None
 1.33A 2cl5B-5d9aB:
undetectable		 2cl5B-5d9aB:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ek8 LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		4 SER A 313
SER A 588
GLN A 614
ASP A 289
 None
 1.36A 2cl5B-5ek8A:
undetectable		 2cl5B-5ek8A:
15.27
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.
5fly FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Staphylococcus
pseudintermedius) 		PF01497
(Peripla_BP_2) 		4 SER A 179
GLU A 162
TYR A 169
GLN A  55
 None
7PG  A1295 ( 2.8A)
7PG  A1295 ( 3.5A)
None
 1.13A 2cl5B-5flyA:
undetectable		 2cl5B-5flyA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A  91
GLU A 515
GLN A 550
ASP A 500
 None
 1.27A 2cl5B-5fp1A:
undetectable		 2cl5B-5fp1A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftz CHITIN BINDING
PROTEIN

(Streptomyces
lividans) 		PF03067
(LPMO_10) 		4 SER A 143
TYR A 128
SER A  79
ASP A  74
 None
 1.37A 2cl5B-5ftzA:
undetectable		 2cl5B-5ftzA:
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.
5g06 EXOSOME COMPLEX
COMPONENT CSL4

(Saccharomyces
cerevisiae) 		PF10447
(EXOSC1) 		4 GLU I 222
SER I 207
GLN I 149
ASP I 214
 None
 0.99A 2cl5B-5g06I:
undetectable		 2cl5B-5g06I:
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 SER A 548
SER A 471
GLN A 468
ASP A 449
 None
 1.34A 2cl5B-5g0hA:
4.2		 2cl5B-5g0hA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 SER B 840
TYR B 816
SER B 777
GLN B 789
 None
 1.33A 2cl5B-5gztB:
undetectable		 2cl5B-5gztB:
11.81
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 SER A 840
TYR A 816
SER A 777
GLN A 789
 None
 1.33A 2cl5B-5gzuA:
undetectable		 2cl5B-5gzuA:
13.09
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		4 SER A 935
GLU A 849
SER A 609
GLN A 632
 GOL  A1202 ( 4.8A)
None
None
None
 1.35A 2cl5B-5ikzA:
undetectable		 2cl5B-5ikzA:
11.21
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		4 GLU A 165
SER A 147
GLN A 114
ASP A 171
 None
 1.29A 2cl5B-5ktlA:
undetectable		 2cl5B-5ktlA:
22.66
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.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 SER B 912
GLU B1007
TYR B1017
GLN B 883
 None
 1.36A 2cl5B-5kyuB:
undetectable		 2cl5B-5kyuB:
14.64
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.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 4 GLU A 131
TYR A 128
SER A 138
GLN A 139
 None
 1.16A 2cl5B-5mc5A:
undetectable		 2cl5B-5mc5A:
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.
5mua RICIN B-RELATED
LECTIN

(Polyporus
squamosus) 		PF14200
(RicinB_lectin_2) 		4 SER A 188
GLU A 255
GLN A 147
ASP A 185
 None
 1.28A 2cl5B-5muaA:
undetectable		 2cl5B-5muaA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 SER A 322
TYR A 272
SER A  80
GLN A  77
 None
 0.87A 2cl5B-5ng6A:
undetectable		 2cl5B-5ng6A:
10.52
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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 SER B  43
TYR B 286
SER B 259
GLN B 154
 None
 1.22A 2cl5B-5tpwB:
undetectable		 2cl5B-5tpwB:
24.23
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.
5tr1 MONOCLONAL ANTIBODY,
FAB FRAGMENT, HEAVY
CHAIN
MONOCLONAL ANTIBODY,
FAB FRAGMENT, LIGHT
CHAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		4 SER H  63
SER L 100
GLN L   6
ASP L   1
 None
 1.34A 2cl5B-5tr1H:
undetectable		 2cl5B-5tr1H:
22.52
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		4 TYR A 272
SER A 279
GLN A 233
ASP A 418
 None
 1.16A 2cl5B-5u1sA:
undetectable		 2cl5B-5u1sA:
9.15
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.
5wdr RAS PROTEIN

(Choanoflagellida) 		PF00071
(Ras) 		4 SER A  89
GLU A 144
SER A 146
ASP A  85
 None
None
GNP  A 203 (-3.5A)
None
 1.37A 2cl5B-5wdrA:
undetectable		 2cl5B-5wdrA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y4g AMBP3

(Fischerella
ambigua) 		no annotation 4 GLU A 207
TYR A 168
SER A 287
ASP A 277
 None
 1.05A 2cl5B-5y4gA:
undetectable		 2cl5B-5y4gA:
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.
5zji CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC
CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC

(Zea mays;
Zea mays) 		no annotation
no annotation 		4 SER 2  95
SER 2  72
GLN 3 166
ASP 2  89
 None
None
None
CLA  2 602 ( 3.4A)
 1.17A 2cl5B-5zji2:
undetectable		 2cl5B-5zji2:
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 SER A  63
GLU A 194
TYR A 357
SER A 170
 None
FAD  A 501 ( 4.5A)
FAD  A 501 (-4.3A)
CL  A 502 ( 2.9A)
 1.14A 2cl5B-6bz0A:
undetectable		 2cl5B-6bz0A:
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.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 4 SER A  23
GLU A  88
SER A 167
GLN A 165
 None
ACT  A 402 (-2.6A)
None
None
 1.39A 2cl5B-6dgiA:
undetectable		 2cl5B-6dgiA:
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.
6eua ANGIOPOIETIN-RELATED
PROTEIN 3

(Homo sapiens) 		no annotation 4 SER A 280
GLU A 346
TYR A 344
SER A 348
 None
 1.42A 2cl5B-6euaA:
undetectable		 2cl5B-6euaA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 4 SER B 443
GLU B 491
SER B 482
ASP B 445
 None
 1.39A 2cl5B-6evjB:
undetectable		 2cl5B-6evjB:
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.
6fmq -

(-) 		no annotation 4 SER A 431
SER A 338
GLN A 337
ASP A 389
 None
None
ACT  A 707 (-4.1A)
EDO  A 701 (-3.5A)
 1.36A 2cl5B-6fmqA:
undetectable		 2cl5B-6fmqA:
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 4 SER A 454
GLU A 291
SER A  87
ASP A 451
 None
 1.33A 2cl5B-6gctA:
undetectable		 2cl5B-6gctA:
undetectable