SIMILAR PATTERNS OF AMINO ACIDS FOR 5F8Y_B_X6XB201_1

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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		4 GLY A 201
GLY A 200
HIS A 206
ASP A 209
 None
 0.75A 5f8yB-1cnsA:
undetectable		 5f8yB-1cnsA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 147
GLY A 374
GLY A 375
ASP A 141
 None
None
None
ZN  A 501 ( 4.6A)
 0.77A 5f8yB-1fnoA:
0.0		 5f8yB-1fnoA:
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		4 GLY A 314
GLY A 315
VAL A 293
ASP A 358
 TAD  A 901 (-3.9A)
None
None
IMP  A 801 (-2.5A)
 0.76A 5f8yB-1lrtA:
undetectable		 5f8yB-1lrtA:
16.58
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.
1nxu HYPOTHETICAL
OXIDOREDUCTASE YIAK

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 HIS A  44
GLY A 121
GLY A 120
VAL A  41
 SO4  A1001 (-4.1A)
None
None
None
 0.65A 5f8yB-1nxuA:
undetectable		 5f8yB-1nxuA:
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.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		4 GLY A 127
GLY A 141
VAL A 145
HIS A  45
 None
None
None
CU  A 153 (-3.0A)
 0.78A 5f8yB-1oalA:
undetectable		 5f8yB-1oalA:
24.18
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 GLU A 175
HIS A 238
GLY A 233
HIS A 147
ASP A 255
 None
None
None
ZN  A 402 (-3.5A)
ZN  A 401 ( 2.2A)
 1.14A 5f8yB-1p9eA:
0.0		 5f8yB-1p9eA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1raj GENOME POLYPROTEIN

(Enterovirus C) 		PF00680
(RdRP_1) 		4 HIS A 423
GLY A 425
VAL A 391
HIS A 389
 None
 0.74A 5f8yB-1rajA:
0.0		 5f8yB-1rajA:
14.87
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.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		4 HIS A 423
GLY A 425
VAL A 391
HIS A 389
 None
 0.77A 5f8yB-1rdrA:
0.0		 5f8yB-1rdrA:
16.59
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		4 GLU A 150
HIS A  90
GLY A 145
GLY A 146
 None
None
SO4  A 701 (-3.4A)
SO4  A 701 (-3.4A)
 0.73A 5f8yB-1u6zA:
0.0		 5f8yB-1u6zA:
14.56
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 GLY A  33
GLY A  32
HIS A  36
ASP A  96
 SAM  A3142 (-3.4A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.9A)
SAM  A3142 (-3.5A)
 0.79A 5f8yB-1wg8A:
undetectable		 5f8yB-1wg8A:
16.72
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		4 GLY A 360
GLY A 361
VAL A 251
HIS A 248
 SUG  A1001 (-4.5A)
SUG  A1001 ( 4.2A)
None
SUG  A1001 (-4.0A)
 0.78A 5f8yB-1yniA:
undetectable		 5f8yB-1yniA:
14.35
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 GLU A 127
HIS A 173
GLY A 168
HIS A 104
ASP A 191
 None
None
None
ZN  A 252 (-3.3A)
ZN  A 251 ( 2.4A)
 1.06A 5f8yB-2a7mA:
undetectable		 5f8yB-2a7mA:
19.60
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		4 GLU A 250
GLY A 245
GLY A 244
VAL A 198
 None
 0.79A 5f8yB-2cevA:
undetectable		 5f8yB-2cevA:
18.58
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.
2cw2 SUPEROXIDE DISMUTASE
1

(Perkinsus
marinus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A 145
GLY A 148
GLY A 144
HIS A 124
 None
 0.78A 5f8yB-2cw2A:
undetectable		 5f8yB-2cw2A:
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.
2frg TREM-LIKE
TRANSCRIPT-1

(Homo sapiens) 		no annotation 4 GLY P  84
GLY P  85
VAL P  67
ASP P  44
 None
 0.78A 5f8yB-2frgP:
undetectable		 5f8yB-2frgP:
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.
2htb PUTATIVE ENZYME
RELATED TO ALDOSE
1-EPIMERASE

(Salmonella
enterica) 		PF01263
(Aldose_epim) 		4 HIS A  33
GLY A 144
VAL A  31
ASP A 111
 None
 0.78A 5f8yB-2htbA:
undetectable		 5f8yB-2htbA:
19.68
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		4 HIS 1 606
GLY 1 608
VAL 1 574
HIS 1 572
 None
 0.74A 5f8yB-2ijd1:
undetectable		 5f8yB-2ijd1:
13.84
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 HIS A 200
GLY A 225
GLY A 197
HIS A 227
HIS A  76
 FE  A1001 (-3.3A)
None
None
None
FE  A1001 (-3.5A)
 1.32A 5f8yB-2p4zA:
undetectable		 5f8yB-2p4zA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qed HYDROXYACYLGLUTATHIO
NE HYDROLASE

(Salmonella
enterica) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 GLU A  79
HIS A 114
GLY A 109
HIS A  53
ASP A 127
 None
None
None
FE  A 253 (-3.3A)
FE  A 252 ( 2.3A)
 1.16A 5f8yB-2qedA:
undetectable		 5f8yB-2qedA:
16.86
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 551
VAL A 369
HIS A 372
ASP A 413
HIS A 445
 None
None
NPV  A   3 (-4.6A)
MG  A   2 ( 2.6A)
None
 1.18A 5f8yB-2qykA:
undetectable		 5f8yB-2qykA:
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 461
VAL A 279
HIS A 282
ASP A 323
HIS A 355
 None
None
None
MG  A   2 ( 2.6A)
None
 1.24A 5f8yB-2qymA:
undetectable		 5f8yB-2qymA:
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		5 GLU A 856
VAL A 678
HIS A 681
ASP A 722
HIS A 757
 None
None
IBM  A   3 ( 4.8A)
MG  A   2 ( 2.6A)
None
 1.27A 5f8yB-2r8qA:
undetectable		 5f8yB-2r8qA:
16.16
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 HIS A 129
GLY A 108
GLY A 107
VAL A 128
 None
 0.78A 5f8yB-2v8jA:
undetectable		 5f8yB-2v8jA:
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.
2vo9 L-ALANYL-D-GLUTAMATE
PEPTIDASE

(Listeria phage
A500) 		PF13539
(Peptidase_M15_4) 		5 GLY A 123
GLY A 122
VAL A 111
ASP A  87
HIS A 133
 None
None
None
ZN  A 501 (-2.2A)
ZN  A 501 (-3.1A)
 1.37A 5f8yB-2vo9A:
undetectable		 5f8yB-2vo9A:
21.47
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		4 HIS A 253
GLY A 132
VAL A 257
HIS A 186
 None
 0.77A 5f8yB-2xmrA:
undetectable		 5f8yB-2xmrA:
19.79
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 GLU A  95
HIS A 175
GLY A 170
HIS A  70
ASP A 190
 None
None
None
ZN  A 318 (-3.4A)
ZN  A 319 ( 2.4A)
 1.30A 5f8yB-2zo4A:
undetectable		 5f8yB-2zo4A:
17.57
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.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		4 HIS A  69
GLY A  72
GLY A  71
HIS A  89
 FES  A 451 (-3.2A)
FES  A 451 (-4.0A)
FES  A 451 ( 4.6A)
FES  A 451 (-3.1A)
 0.76A 5f8yB-2zylA:
undetectable		 5f8yB-2zylA:
17.36
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 785
GLY A 659
VAL A 610
HIS A 613
HIS A 684
 None
None
None
VDN  A   1 (-4.3A)
None
 1.34A 5f8yB-3b2rA:
undetectable		 5f8yB-3b2rA:
16.41
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.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		5 GLU A  48
HIS A 159
VAL A 107
ASP A 189
HIS A 192
 None
 1.34A 5f8yB-3cnyA:
undetectable		 5f8yB-3cnyA:
18.15
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.
3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN

(Mus musculus) 		PF13806
(Rieske_2) 		4 HIS A  59
GLY A  62
GLY A  61
HIS A  83
 FES  A 201 (-3.1A)
FES  A 201 (-3.9A)
FES  A 201 ( 4.6A)
FES  A 201 (-3.2A)
 0.72A 5f8yB-3d89A:
undetectable		 5f8yB-3d89A:
22.78
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 GLU A 137
HIS A 189
GLY A 184
HIS A 108
ASP A 206
 None
 1.18A 5f8yB-3eshA:
undetectable		 5f8yB-3eshA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 505
VAL A 323
HIS A 326
ASP A 367
HIS A 399
 None
None
D71  A 901 (-4.5A)
MG  A 802 ( 2.7A)
None
 1.22A 5f8yB-3g4gA:
undetectable		 5f8yB-3g4gA:
18.31
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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 HIS A 251
GLY A 309
GLY A 277
VAL A 280
HIS A 311
 FE  A 602 ( 3.2A)
None
None
None
PO4  A   1 (-3.8A)
 1.48A 5f8yB-3icfA:
undetectable		 5f8yB-3icfA:
19.35
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.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A 149
GLY A 376
GLY A 377
ASP A 143
 None
None
None
ZN  A 411 ( 4.6A)
 0.66A 5f8yB-3ifeA:
undetectable		 5f8yB-3ifeA:
14.71
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.
3iwr CHITINASE

(Oryza sativa) 		PF00182
(Glyco_hydro_19) 		4 GLY A 288
GLY A 287
HIS A 293
ASP A 296
 None
 0.71A 5f8yB-3iwrA:
undetectable		 5f8yB-3iwrA:
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 413
VAL A 231
HIS A 234
ASP A 275
HIS A 307
 None
None
None
MG  A 504 ( 2.6A)
None
 1.21A 5f8yB-3o57A:
undetectable		 5f8yB-3o57A:
15.58
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.
3p11 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 GLU A  63
GLY A 265
GLY A 264
VAL A  39
 None
 0.78A 5f8yB-3p11A:
undetectable		 5f8yB-3p11A:
13.85
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		4 HIS A 234
GLY A 238
GLY A 237
VAL A 233
 None
 0.79A 5f8yB-3q8nA:
undetectable		 5f8yB-3q8nA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 GLY A 311
GLY A 310
VAL A 314
HIS A 246
ASP A 175
 None
None
None
GOL  A 565 (-4.5A)
None
 1.46A 5f8yB-3rcnA:
undetectable		 5f8yB-3rcnA:
13.70
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.
3rl3 METALLOPHOSPHOESTERA
SE MPPED2

(Rattus
norvegicus) 		PF00149
(Metallophos) 		5 GLU A 119
HIS A  67
GLY A  85
HIS A 118
HIS A 254
 None
MN  A 444 ( 3.4A)
None
5GP  A 951 (-3.8A)
MN  A 444 ( 3.5A)
 1.24A 5f8yB-3rl3A:
undetectable		 5f8yB-3rl3A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rrv ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 GLY A  67
GLY A  66
VAL A 140
HIS A 137
ASP A 135
 None
None
None
CA  A 257 (-3.3A)
None
 1.43A 5f8yB-3rrvA:
undetectable		 5f8yB-3rrvA:
17.75
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 339
VAL A 157
HIS A 160
ASP A 201
HIS A 233
 GLU  A 339 ( 0.5A)
VAL  A 157 ( 0.6A)
HIS  A 160 ( 1.0A)
ASP  A 201 ( 0.5A)
HIS  A 233 ( 1.0A)
 1.34A 5f8yB-3sl5A:
undetectable		 5f8yB-3sl5A:
16.48
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.
3u1x PUTATIVE GLYCOSYL
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		4 GLU A 125
GLY A  60
GLY A  61
VAL A  95
 None
 0.61A 5f8yB-3u1xA:
undetectable		 5f8yB-3u1xA:
21.14
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 GLY A 366
GLY A 365
VAL A 369
HIS A 303
ASP A 249
 None
None
None
TCG  A 601 (-4.1A)
TCG  A 601 ( 4.9A)
 1.44A 5f8yB-3vtrA:
undetectable		 5f8yB-3vtrA:
12.89
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.
3wsb FARNESYLTRANSFERASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF00494
(SQS_PSY) 		4 HIS A 198
GLY A 200
VAL A 267
HIS A 263
 None
FPS  A 501 ( 3.7A)
None
None
 0.69A 5f8yB-3wsbA:
undetectable		 5f8yB-3wsbA:
16.89
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.
4cjd NADA

(Neisseria
meningitidis) 		no annotation 4 GLY A  81
GLY A  82
VAL A  88
ASP A  47
 None
 0.76A 5f8yB-4cjdA:
undetectable		 5f8yB-4cjdA:
22.03
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.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 GLU A 843
VAL A 666
HIS A 669
ASP A 710
HIS A 745
 None
None
None
MG  A1002 ( 2.6A)
None
 1.31A 5f8yB-4i15A:
undetectable		 5f8yB-4i15A:
18.84
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.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		4 GLU A 267
GLY A 262
GLY A 261
VAL A 214
 None
 0.78A 5f8yB-4iu4A:
undetectable		 5f8yB-4iu4A:
18.84
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.
4jox 13.6 KDA
INSECTICIDAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF06355
(Aegerolysin) 		5 GLY A 101
GLY A 100
VAL A   6
HIS A 107
ASP A   9
 None
 1.39A 5f8yB-4joxA:
undetectable		 5f8yB-4joxA:
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 GLU A 119
HIS A 189
GLY A 184
HIS A  96
ASP A 207
 None
None
None
ZN  A 302 (-3.4A)
ZN  A 301 ( 2.1A)
 1.24A 5f8yB-4keqA:
undetectable		 5f8yB-4keqA:
21.82
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 HIS A 403
GLY A 412
GLY A 411
ASP A 529
 None
 0.73A 5f8yB-4n4kA:
undetectable		 5f8yB-4n4kA:
14.26
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 HIS A 104
GLY A 185
GLY A 186
HIS A 106
 ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-3.1A)
 0.76A 5f8yB-4p62A:
undetectable		 5f8yB-4p62A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		4 GLU A 286
GLY A 281
GLY A 280
VAL A 233
 None
 0.77A 5f8yB-4q3rA:
undetectable		 5f8yB-4q3rA:
14.62
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.
4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE

(Rhodococcus
rhodochrous) 		PF00355
(Rieske) 		4 HIS B  70
GLY B  73
GLY B  72
HIS B  90
 FES  B 402 (-3.0A)
FES  B 402 (-4.0A)
FES  B 402 ( 4.7A)
FES  B 402 (-3.1A)
 0.74A 5f8yB-4qdfB:
undetectable		 5f8yB-4qdfB:
17.26
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLU A 585
VAL A 403
HIS A 406
ASP A 447
HIS A 479
 None
None
MG  A 804 ( 4.9A)
MG  A 804 ( 2.7A)
None
 1.29A 5f8yB-4wziA:
undetectable		 5f8yB-4wziA:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x04 SOLUTE BINDING
PROTEIN

(Citrobacter
koseri) 		PF03480
(DctP) 		4 GLY A  68
GLY A  69
VAL A  43
HIS A  36
 None
None
None
BDP  A 401 (-4.1A)
 0.77A 5f8yB-4x04A:
undetectable		 5f8yB-4x04A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 GLU A 183
HIS A 248
GLY A 243
HIS A 155
ASP A 265
 None
None
None
ZN  A 402 (-3.5A)
ZN  A 401 ( 2.5A)
 1.14A 5f8yB-4xukA:
undetectable		 5f8yB-4xukA:
17.85
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.
4ylj DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 1A

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 444
GLY A 432
GLY A 433
HIS A 355
 None
 0.73A 5f8yB-4yljA:
undetectable		 5f8yB-4yljA:
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 224
GLY C 284
GLY C 283
ASP C 226
HIS C 325
 NI  C 601 (-4.7A)
None
None
None
None
 1.40A 5f8yB-4z42C:
undetectable		 5f8yB-4z42C:
13.64
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 224
GLY C 284
GLY C 283
VAL C 250
ASP C 226
 NI  C 601 (-4.7A)
None
None
None
None
 1.44A 5f8yB-4z42C:
undetectable		 5f8yB-4z42C:
13.64
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		4 HIS A 149
GLY A 128
GLY A 127
VAL A 148
 None
 0.77A 5f8yB-5a29A:
undetectable		 5f8yB-5a29A:
11.96
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 GLY A 122
GLY A 121
HIS A 499
ASP A 102
 None
 0.68A 5f8yB-5cslA:
undetectable		 5f8yB-5cslA:
5.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 8 GLU A  75
HIS A 108
GLY A 111
GLY A 112
VAL A 123
HIS A 125
ASP A 127
HIS A 129
 GOL  A 203 (-2.8A)
GOL  A 203 (-3.8A)
GOL  A 203 (-3.5A)
GOL  A 203 (-3.3A)
None
GOL  A 203 (-3.6A)
None
GOL  A 203 (-4.2A)
 0.23A 5f8yB-5duyA:
33.9		 5f8yB-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 7 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
 GOL  A 201 (-3.8A)
GOL  A 201 (-3.3A)
GOL  A 201 (-3.1A)
None
GOL  A 201 (-3.5A)
GOL  A 201 (-3.6A)
GOL  A 201 (-4.1A)
 0.23A 5f8yB-5duyA:
33.9		 5f8yB-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 HIS A  16
GLY A  19
VAL A  31
HIS A  33
ASP A  35
 GOL  A 201 (-3.8A)
GOL  A 201 (-3.3A)
None
GOL  A 201 (-3.5A)
GOL  A 201 (-3.6A)
 0.77A 5f8yB-5duyA:
33.9		 5f8yB-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 7 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
 GOL  A 202 (-3.7A)
GOL  A 202 (-3.7A)
GOL  A 202 (-2.9A)
None
GOL  A 202 (-3.5A)
GOL  A 202 (-3.1A)
GOL  A 202 (-3.8A)
 0.27A 5f8yB-5duyA:
33.9		 5f8yB-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 HIS A  64
GLY A  67
VAL A  79
HIS A  81
ASP A  83
 GOL  A 202 (-3.7A)
GOL  A 202 (-3.7A)
None
GOL  A 202 (-3.5A)
GOL  A 202 (-3.1A)
 0.73A 5f8yB-5duyA:
33.9		 5f8yB-5duyA:
82.87
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.
5equ SNON,SNON

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 GLU A 189
HIS A 131
GLY A 182
VAL A 212
ASP A 172
 None
 1.23A 5f8yB-5equA:
undetectable		 5f8yB-5equA:
16.72
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.
5equ SNON,SNON

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 GLU A 189
HIS A 131
GLY A 182
VAL A 212
ASP A 172
 None
 1.31A 5f8yB-5equA:
undetectable		 5f8yB-5equA:
16.72
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.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 HIS A 361
GLY A 359
GLY A 360
VAL A 287
ASP A 365
 None
 1.40A 5f8yB-5fxeA:
undetectable		 5f8yB-5fxeA:
13.69
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.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 5 GLU A 844
VAL A 666
HIS A 669
ASP A 710
HIS A 745
 None
None
None
MG  A1002 ( 2.6A)
MG  A1002 ( 4.9A)
 1.29A 5f8yB-5h2rA:
undetectable		 5f8yB-5h2rA:
18.07
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.49A 5f8yB-5i2gA:
undetectable		 5f8yB-5i2gA:
10.68
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		4 GLY B  90
GLY B  91
VAL B  36
HIS B  81
 None
 0.75A 5f8yB-5iklB:
undetectable		 5f8yB-5iklB:
15.67
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 GLY A 350
GLY A 351
VAL A 384
ASP A 357
 6S6  A 613 (-3.7A)
None
None
None
 0.76A 5f8yB-5la7A:
undetectable		 5f8yB-5la7A:
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 GLY A 350
GLY A 351
VAL A 384
HIS A 392
 6S6  A 613 (-3.7A)
None
None
None
 0.69A 5f8yB-5la7A:
undetectable		 5f8yB-5la7A:
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.
5m22 HYDROQUINONE
DIOXYGENASE SMALL
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 5 GLU A  58
GLY A 154
GLY A 104
VAL A  56
HIS A  73
 None
 1.31A 5f8yB-5m22A:
undetectable		 5f8yB-5m22A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 GLU A 585
VAL A 403
HIS A 406
ASP A 447
HIS A 479
 None
None
None
MG  A 700 ( 2.7A)
None
 1.21A 5f8yB-5ohjA:
undetectable		 5f8yB-5ohjA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t43 LIPOCALIN-1

(Homo sapiens) 		PF00061
(Lipocalin) 		4 HIS A  84
GLY A  82
GLY A  81
VAL A  85
 None
 0.68A 5f8yB-5t43A:
undetectable		 5f8yB-5t43A:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 8 GLU A  75
HIS A 108
GLY A 111
GLY A 112
VAL A 123
HIS A 125
ASP A 127
HIS A 129
 GOL  A 202 (-2.7A)
GOL  A 202 (-3.9A)
GOL  A 202 (-3.1A)
GOL  A 202 (-3.3A)
None
GOL  A 202 (-3.8A)
None
GOL  A 202 (-4.1A)
 0.42A 5f8yB-5vbkA:
33.0		 5f8yB-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 8 GLU A 119
HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
 GOL  A 201 (-2.7A)
GOL  A 201 (-4.0A)
GOL  A 201 (-3.6A)
GOL  A 201 (-3.3A)
None
GOL  A 201 (-3.7A)
None
GOL  A 201 (-3.9A)
 0.31A 5f8yB-5vbkA:
33.0		 5f8yB-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 4 GLY A  20
VAL A  31
HIS A  33
ASP A  35
 GOL  A 201 (-3.3A)
None
GOL  A 201 (-3.7A)
None
 0.75A 5f8yB-5vbkA:
33.0		 5f8yB-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 7 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
 GOL  A 203 (-3.5A)
GOL  A 203 (-3.6A)
GOL  A 203 (-3.7A)
None
GOL  A 203 ( 4.0A)
GOL  A 203 (-3.8A)
GOL  A 203 (-4.1A)
 0.32A 5f8yB-5vbkA:
33.0		 5f8yB-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 5 HIS A  64
GLY A  67
VAL A  79
HIS A  81
ASP A  83
 GOL  A 203 (-3.5A)
GOL  A 203 (-3.6A)
None
GOL  A 203 ( 4.0A)
GOL  A 203 (-3.8A)
 0.75A 5f8yB-5vbkA:
33.0		 5f8yB-5vbkA:
88.00
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 GLU A 339
VAL A 157
HIS A 160
ASP A 201
HIS A 233
 None
None
None
MG  A 603 ( 2.6A)
None
 1.20A 5f8yB-5wh6A:
undetectable		 5f8yB-5wh6A:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 HIS A 727
GLY A 636
GLY A 637
VAL A 702
 None
 0.74A 5f8yB-5wmmA:
undetectable		 5f8yB-5wmmA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		7 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
 A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
 0.21A 5f8yB-5xg5A:
27.0		 5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		5 HIS A  16
GLY A  19
VAL A  31
HIS A  33
ASP A  35
 A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
 0.83A 5f8yB-5xg5A:
27.0		 5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		7 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
 A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
 0.21A 5f8yB-5xg5A:
27.0		 5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		5 HIS A  64
GLY A  67
VAL A  79
HIS A  81
ASP A  83
 A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
 0.75A 5f8yB-5xg5A:
27.0		 5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		7 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
 A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
 0.21A 5f8yB-5xg5A:
27.0		 5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		5 HIS A 112
GLY A 115
VAL A 127
HIS A 129
ASP A 131
 A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
 0.81A 5f8yB-5xg5A:
27.0		 5f8yB-5xg5A:
59.09
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 GLU A 292
GLY A 599
GLY A 600
VAL A 303
 None
 0.76A 5f8yB-5xmjA:
undetectable		 5f8yB-5xmjA:
20.69
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.
5ynl ARGINASE

(Glaciozyma
antarctica) 		no annotation 4 GLU A 267
GLY A 262
GLY A 261
VAL A 214
 None
 0.78A 5f8yB-5ynlA:
undetectable		 5f8yB-5ynlA:
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.
6a31 PEPTIDYL-TRNA
HYDROLASE

(Acinetobacter
baumannii) 		no annotation 5 GLU A  96
HIS A 115
GLY A 113
GLY A 114
HIS A  94
 None
 1.32A 5f8yB-6a31A:
undetectable		 5f8yB-6a31A:
17.22
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.
6e0s -

(-) 		no annotation 4 HIS A  91
GLY A 172
GLY A 173
HIS A  93
 ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-3.3A)
 0.75A 5f8yB-6e0sA:
undetectable		 5f8yB-6e0sA:
undetectable