SIMILAR PATTERNS OF AMINO ACIDS FOR 5KR2_C_ROCC101

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.
1cau CANAVALIN

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		5 ASN B 299
GLY B 366
ILE B 367
THR B 269
PRO B 270
 None
 1.17A 5kr2C-1cauB:
undetectable		 5kr2C-1cauB:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ASP A 436
ASP A 437
ILE A 438
THR A 155
PRO A 156
 None
 1.31A 5kr2C-1ck7A:
undetectable		 5kr2C-1ck7A:
8.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ALA A 114
ILE A  74
GLY A  72
ILE A  94
PRO A  50
 None
 1.23A 5kr2C-1ddkA:
undetectable		 5kr2C-1ddkA:
18.81
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.
1dgr CANAVALIN

(Canavalia
ensiformis) 		no annotation 5 ASN X 299
GLY Y 366
ILE Y 367
THR X 269
PRO X 270
 PO4  X1500 (-3.2A)
None
None
None
None
 1.29A 5kr2C-1dgrX:
undetectable		 5kr2C-1dgrX:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA B 246
ILE B 216
GLY B 158
ILE B 137
PRO B 413
 KCX  B 219 ( 4.3A)
None
None
None
None
 1.26A 5kr2C-1e9yB:
undetectable		 5kr2C-1e9yB:
11.25
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ASN A 121
ALA A 118
ILE A  79
GLY A  77
ILE A  75
 None
None
C8E  A 456 ( 3.5A)
C8E  A 456 (-3.2A)
None
 1.26A 5kr2C-1ethA:
undetectable		 5kr2C-1ethA:
13.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
None
A79  A 800 ( 3.9A)
 0.74A 5kr2C-1hvcA:
13.9		 5kr2C-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
 0.84A 5kr2C-1hvcA:
13.9		 5kr2C-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
 0.51A 5kr2C-1hvcA:
13.9		 5kr2C-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
 0.53A 5kr2C-1hvcA:
13.9		 5kr2C-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
None
A79  A 800 ( 3.4A)
 0.64A 5kr2C-1hvcA:
13.9		 5kr2C-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.49A 5kr2C-1q9pA:
10.0		 5kr2C-1q9pA:
93.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.71A 5kr2C-1sivA:
17.8		 5kr2C-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 None
 0.78A 5kr2C-1sivA:
17.8		 5kr2C-1sivA:
50.98
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 665
ASP A 664
ILE A 661
GLY A 690
ILE A 726
 None
 1.10A 5kr2C-1u1hA:
undetectable		 5kr2C-1u1hA:
8.56
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.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF01515
(PTA_PTB) 		5 ALA A 121
ASP A 302
ILE A 293
GLY A 134
ILE A 137
 None
 1.24A 5kr2C-1vmiA:
undetectable		 5kr2C-1vmiA:
14.91
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 0.96A 5kr2C-2bvmA:
undetectable		 5kr2C-2bvmA:
12.77
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.
2cav PROTEIN (CANAVALIN)

(Canavalia
ensiformis) 		PF00190
(Cupin_1) 		5 ASN A 299
GLY A 366
ILE A 367
THR A 269
PRO A 270
 None
 1.27A 5kr2C-2cavA:
undetectable		 5kr2C-2cavA:
13.36
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ASN A 207
ALA A 205
GLY A 185
THR A 171
PRO A 170
 None
 1.23A 5kr2C-2cl2A:
undetectable		 5kr2C-2cl2A:
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.
2dfj DIADENOSINETETRAPHOS
PHATASE

(Shigella
flexneri) 		PF00149
(Metallophos) 		5 ASP A 244
GLY A 122
ILE A 123
THR A 236
PRO A 237
 MN  A1002 ( 4.5A)
None
None
None
None
 1.27A 5kr2C-2dfjA:
undetectable		 5kr2C-2dfjA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ASP A 146
ILE A 197
GLY A 195
THR A  81
PRO A  82
 None
 1.21A 5kr2C-2ebdA:
undetectable		 5kr2C-2ebdA:
15.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.71A 5kr2C-2fmbA:
15.1		 5kr2C-2fmbA:
33.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mhk PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Escherichia
coli) 		PF04348
(LppC) 		5 ALA A  90
ASP A  89
ILE A  57
THR A  25
PRO A  26
 None
 1.14A 5kr2C-2mhkA:
undetectable		 5kr2C-2mhkA:
16.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
None
AB1  A 501 (-4.2A)
 0.88A 5kr2C-2rkfA:
20.0		 5kr2C-2rkfA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
None
 0.51A 5kr2C-2rkfA:
20.0		 5kr2C-2rkfA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
PRO A  81
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.72A 5kr2C-2rkfA:
20.0		 5kr2C-2rkfA:
76.77
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
CTS  A1544 ( 3.7A)
None
 0.97A 5kr2C-2vl8A:
undetectable		 5kr2C-2vl8A:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 ALA A  88
ASP A  89
ILE A  53
GLY A  26
THR A  30
 None
None
None
None
PAJ  A 501 (-4.6A)
 1.08A 5kr2C-3ag6A:
undetectable		 5kr2C-3ag6A:
15.49
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ALA A 150
ASP A 135
ILE A 164
THR A 127
PRO A 128
 None
GOL  A 591 (-3.0A)
None
None
None
 1.26A 5kr2C-3akfA:
undetectable		 5kr2C-3akfA:
11.82
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.88A 5kr2C-3aqcB:
undetectable		 5kr2C-3aqcB:
15.44
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ASN A 380
ASP A 337
ASP A 332
ILE A 331
THR A 365
 None
TRS  A 800 ( 4.3A)
TRS  A 800 (-3.6A)
None
None
 1.24A 5kr2C-3cihA:
undetectable		 5kr2C-3cihA:
9.55
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.
3hly FLAVODOXIN-LIKE
DOMAIN

(Synechococcus
elongatus) 		no annotation 5 ILE A 377
GLY A 346
ILE A 315
THR A 319
PRO A 320
 None
 1.26A 5kr2C-3hlyA:
undetectable		 5kr2C-3hlyA:
21.88
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.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		5 ALA B 132
ASP B 131
ASP B 128
GLY B  19
ILE B  40
 None
 1.23A 5kr2C-3hstB:
undetectable		 5kr2C-3hstB:
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 122
ASP A 123
ILE A 174
ILE A 165
PRO A 280
 None
 1.03A 5kr2C-3il3A:
undetectable		 5kr2C-3il3A:
16.78
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.
3jb9 SMALL NUCLEAR
RIBONUCLEOPROTEIN E
SMALL NUCLEAR
RIBONUCLEOPROTEIN G

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		5 ALA J  61
GLY J  58
ILE J  57
THR H  24
PRO H  25
 None
 1.31A 5kr2C-3jb9J:
undetectable		 5kr2C-3jb9J:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
E''

(Methanocaldococcus
jannaschii) 		PF06093
(Spt4) 		5 ALA B  42
ASP B  48
ILE B  49
GLY B  51
ILE B  32
 None
 1.27A 5kr2C-3lpeB:
undetectable		 5kr2C-3lpeB:
22.34
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.
3ml6 CHIMERIC COMPLEX
BETWEEN PROTEIN
DISHEVLLED2 HOMOLOG
DVL-2 AND CLATHRIN
ADAPTOR AP-2 COMPLEX
SUBUNIT MU

(Mus musculus;
Rattus
norvegicus) 		PF00610
(DEP)
PF00928
(Adap_comp_sub) 		5 ASN A 451
ILE A 488
GLY A 506
ILE A1266
THR A 491
 None
 1.15A 5kr2C-3ml6A:
undetectable		 5kr2C-3ml6A:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 None
 0.94A 5kr2C-3mwsA:
19.2		 5kr2C-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
 None
 0.86A 5kr2C-3mwsA:
19.2		 5kr2C-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 None
 0.64A 5kr2C-3mwsA:
19.2		 5kr2C-3mwsA:
76.77
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.
3rfq PTERIN-4-ALPHA-CARBI
NOLAMINE DEHYDRATASE
MOAB2

(Mycobacterium
marinum) 		PF00994
(MoCF_biosynth) 		5 ALA A 157
ASP A 160
ILE A 121
GLY A 134
PRO A 103
 None
NA  A 181 (-3.3A)
None
None
None
 1.31A 5kr2C-3rfqA:
undetectable		 5kr2C-3rfqA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rrc DUFFY RECEPTOR

(Plasmodium
vivax) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		5 ASP A 309
ILE A 313
GLY A 321
ILE A 322
THR A 251
 None
None
EDO  A   3 ( 3.1A)
None
None
 1.30A 5kr2C-3rrcA:
undetectable		 5kr2C-3rrcA:
13.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.50A 5kr2C-3t3cA:
18.2		 5kr2C-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.71A 5kr2C-3t3cA:
18.2		 5kr2C-3t3cA:
73.74
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.
3tri PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Coxiella
burnetii) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 ASN A  63
ALA A  64
ILE A   9
ILE A  32
THR A  54
 PO4  A 283 (-3.1A)
PO4  A 283 (-3.5A)
None
None
None
 1.02A 5kr2C-3triA:
undetectable		 5kr2C-3triA:
17.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
017  A 201 (-4.1A)
 0.91A 5kr2C-3ttpA:
18.9		 5kr2C-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
None
 0.81A 5kr2C-3ttpA:
18.9		 5kr2C-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.66A 5kr2C-3u7sA:
19.2		 5kr2C-3u7sA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
THR A  80
 017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
None
 0.72A 5kr2C-3u7sA:
19.2		 5kr2C-3u7sA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
None
017  A 202 (-4.0A)
 0.63A 5kr2C-3u7sA:
19.2		 5kr2C-3u7sA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 ( 4.6A)
None
017  A 202 (-4.0A)
 0.91A 5kr2C-3u7sA:
19.2		 5kr2C-3u7sA:
74.75
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 ASN B 191
ALA B 256
ILE B 149
ILE B  64
THR B 131
 None
 1.24A 5kr2C-3vsjB:
undetectable		 5kr2C-3vsjB:
16.67
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASN A1648
ASP A1040
ILE A1038
GLY A1186
ILE A1187
 None
 0.99A 5kr2C-4c3hA:
undetectable		 5kr2C-4c3hA:
4.77
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.
4fin ETTA (YJJK) ABCF
FAMILY PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF12848
(ABC_tran_Xtn) 		5 ALA A 494
ILE A 507
GLY A 353
ILE A 354
THR A 472
 None
 1.23A 5kr2C-4finA:
undetectable		 5kr2C-4finA:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 ASP A 218
ASP A 211
GLY A 214
ILE A 243
THR A 357
 None
MG  A 501 ( 3.9A)
ATP  A 502 (-3.6A)
None
ATP  A 502 (-4.4A)
 1.30A 5kr2C-4gniA:
undetectable		 5kr2C-4gniA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 ALA A 498
ASP A 685
ILE A 687
GLY A 668
ILE A 667
 None
 1.24A 5kr2C-4k3cA:
undetectable		 5kr2C-4k3cA:
10.71
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 1.01A 5kr2C-4kkmA:
undetectable		 5kr2C-4kkmA:
18.04
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 ALA A 257
ASP A 259
GLY A  22
ILE A  24
THR A 149
 None
None
FDA  A 801 (-3.2A)
FDA  A 801 (-3.7A)
None
 1.24A 5kr2C-4mifA:
undetectable		 5kr2C-4mifA:
13.05
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.
4nha ENDORIBONUCLEASE
DICER

(Homo sapiens) 		PF02170
(PAZ) 		5 ASP A 881
ILE A 882
GLY A 793
ILE A 763
THR A 796
 None
 1.29A 5kr2C-4nhaA:
undetectable		 5kr2C-4nhaA:
16.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.70A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 1.16A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 0.58A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ILE A  47
GLY A  49
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
 0.80A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
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.
4p5p THIJ/PFPI FAMILY
PROTEIN

(Francisella
tularensis) 		PF01965
(DJ-1_PfpI) 		5 ALA A 218
ILE A 131
GLY A 129
ILE A 128
THR A 156
 None
 1.02A 5kr2C-4p5pA:
undetectable		 5kr2C-4p5pA:
17.33
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 ASN A 168
ALA A 178
ASP A 200
GLY A 145
ILE A 144
 None
 1.03A 5kr2C-4pmhA:
undetectable		 5kr2C-4pmhA:
12.36
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.
4tr6 DNA POLYMERASE III
SUBUNIT BETA

(Bacillus
subtilis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ALA A 122
ASP A 123
ASP A 121
GLY A  75
THR A 106
 None
 1.17A 5kr2C-4tr6A:
undetectable		 5kr2C-4tr6A:
15.32
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.84A 5kr2C-4ttpA:
undetectable		 5kr2C-4ttpA:
18.14
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.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		5 ALA A 268
ILE A 234
ILE A 262
THR A 244
PRO A 246
 None
 1.10A 5kr2C-4tv7A:
undetectable		 5kr2C-4tv7A:
11.83
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.
4utt PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Clostridium
perfringens) 		PF04131
(NanE) 		5 ASN A  51
ASP A  49
ILE A  42
GLY A  63
ILE A  94
 None
 1.16A 5kr2C-4uttA:
undetectable		 5kr2C-4uttA:
17.18
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.
4y82 PROTEASOME SUBUNIT
BETA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA M 198
ILE M  43
GLY M  52
ILE M 115
PRO M  89
 None
 1.29A 5kr2C-4y82M:
undetectable		 5kr2C-4y82M:
17.81
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.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ASP A 719
ILE A 444
GLY A 446
ILE A 447
PRO A 713
 None
 1.08A 5kr2C-4ydqA:
undetectable		 5kr2C-4ydqA:
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA B 294
ASP B 293
GLY B 286
ILE B 285
PRO B 238
 None
 1.19A 5kr2C-4yryB:
undetectable		 5kr2C-4yryB:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASN A 644
ALA A 637
ASP A 639
GLY A 668
THR A 810
 None
 1.18A 5kr2C-4yswA:
undetectable		 5kr2C-4yswA:
6.37
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ASP A2493
ILE A2447
GLY A2522
ILE A2678
THR A2476
 None
 1.27A 5kr2C-4z37A:
undetectable		 5kr2C-4z37A:
11.48
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 ALA A  91
ILE A 117
GLY A  42
ILE A  65
PRO A  37
 None
 1.28A 5kr2C-5aeeA:
undetectable		 5kr2C-5aeeA:
9.10
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.
5af0 MAELSTROM

(Bombyx mori) 		PF13017
(Maelstrom) 		5 ALA A 174
ILE A 158
GLY A 136
ILE A 135
PRO A 163
 None
 1.29A 5kr2C-5af0A:
undetectable		 5kr2C-5af0A:
15.56
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.
5afu DYNACTIN

(Sus scrofa) 		PF00022
(Actin) 		5 ASN A  37
ASP A 162
GLY A  78
ILE A  79
THR A 111
 None
ADP  A 800 ( 3.2A)
None
None
None
 1.25A 5kr2C-5afuA:
undetectable		 5kr2C-5afuA:
14.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASN A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.57A 5kr2C-5b18A:
17.7		 5kr2C-5b18A:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASN A  25
ALA A  28
ASP A  29
ASP A  30
THR A  80
 None
 0.64A 5kr2C-5b18A:
17.7		 5kr2C-5b18A:
71.72
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 132
ILE A  92
GLY A  90
ILE A 112
PRO A  68
 None
 1.23A 5kr2C-5b3rA:
undetectable		 5kr2C-5b3rA:
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.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		5 ASN A   8
ALA A   7
ASP A  10
GLY A  57
ILE A  54
 None
 1.26A 5kr2C-5ce0A:
undetectable		 5kr2C-5ce0A:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A  16
ASP A  17
ASP A  18
GLY A 233
ILE A 236
 None
 1.14A 5kr2C-5dmhA:
undetectable		 5kr2C-5dmhA:
12.30
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 ALA A  19
ASP A  15
GLY A 105
ILE A 257
PRO A 273
 None
 1.22A 5kr2C-5gv1A:
undetectable		 5kr2C-5gv1A:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyg ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 ALA A  19
ASP A  15
GLY A 105
ILE A 257
PRO A 273
 None
 1.18A 5kr2C-5gygA:
undetectable		 5kr2C-5gygA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ASN A 652
ASP A 635
GLY A 659
THR A 359
PRO A 358
 None
 1.25A 5kr2C-5im3A:
undetectable		 5kr2C-5im3A:
7.74
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA L 308
ASP L 307
GLY L 300
ILE L 299
PRO L 252
 None
FAD  L 503 (-4.4A)
None
None
None
 1.27A 5kr2C-5jfcL:
undetectable		 5kr2C-5jfcL:
14.92
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 ALA A  67
ILE A  23
GLY A  51
ILE A  52
PRO A  30
 None
 1.29A 5kr2C-5k9xA:
undetectable		 5kr2C-5k9xA:
17.74
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.
5loa MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF16654
(DAPDH_C) 		5 ALA A 203
ASP A 202
ASP A 205
ILE A 209
ILE A 230
 None
 1.20A 5kr2C-5loaA:
undetectable		 5kr2C-5loaA:
17.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
 None
 0.70A 5kr2C-5t2zA:
19.2		 5kr2C-5t2zA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 None
 0.67A 5kr2C-5t2zA:
19.2		 5kr2C-5t2zA:
77.78
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 ALA A  43
ILE A 235
GLY A 232
ILE A 588
THR A 584
 None
 0.93A 5kr2C-5wugA:
undetectable		 5kr2C-5wugA:
16.83
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.
5x03 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2) 		5 ALA A 268
ILE A 234
ILE A 262
THR A 244
PRO A 246
 None
 1.20A 5kr2C-5x03A:
undetectable		 5kr2C-5x03A:
16.98
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 222
ASP A 223
ILE A 423
ILE A 431
THR A 362
 None
 1.20A 5kr2C-6aonA:
undetectable		 5kr2C-6aonA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bbj TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 5 ALA A 262
ASP A 259
ILE A 223
ILE A 242
THR A 192
 None
 1.32A 5kr2C-6bbjA:
undetectable		 5kr2C-6bbjA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 ASP A 442
ILE A 470
GLY A 475
ILE A 479
THR A 451
 None
 1.27A 5kr2C-6bv2A:
undetectable		 5kr2C-6bv2A:
23.76
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.
6c8g TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 5 ALA A 262
ASP A 259
ILE A 223
ILE A 242
THR A 192
 None
 1.30A 5kr2C-6c8gA:
undetectable		 5kr2C-6c8gA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 5 ASN A  78
ALA A 102
ASP A  76
GLY A  72
ILE A  71
 None
 1.24A 5kr2C-6gwwA:
undetectable		 5kr2C-6gwwA:
24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 NIU  A 100 (-3.6A)
None
None
None
None
None
 0.84A 5kr2C-6upjA:
17.4		 5kr2C-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.94A 5kr2C-6upjA:
17.4		 5kr2C-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
PRO A  81
 NIU  A 100 (-3.6A)
None
None
NIU  A 100 (-3.9A)
None
None
 0.81A 5kr2C-6upjA:
17.4		 5kr2C-6upjA:
47.47
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 133
ILE B 277
GLY B   7
PRO B  51
ILE B 136
 None
 1.00A 5kr2D-1bouB:
undetectable		 5kr2D-1bouB:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d0b INTERNALIN B

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 LEU A 110
ASN A 108
ILE A  82
VAL A  91
ILE A  88
 None
 1.05A 5kr2D-1d0bA:
undetectable		 5kr2D-1d0bA:
17.67
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.
1fxl PARANEOPLASTIC
ENCEPHALOMYELITIS
ANTIGEN HUD

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 186
GLY A 167
ILE A 156
VAL A 200
ILE A 198
 None
 1.01A 5kr2D-1fxlA:
undetectable		 5kr2D-1fxlA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0b CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 LEU A   5
ASN A  23
GLY A 205
VAL A  36
ILE A  34
 None
 1.11A 5kr2D-1h0bA:
undetectable		 5kr2D-1h0bA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
GLY A  51
PRO A  81
VAL A  82
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 1.12A 5kr2D-1hvcA:
13.7		 5kr2D-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.74A 5kr2D-1hvcA:
13.7		 5kr2D-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.56A 5kr2D-1hvcA:
13.7		 5kr2D-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.82A 5kr2D-1hvcA:
13.7		 5kr2D-1hvcA:
44.33
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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 LEU A 301
GLY A 272
ILE A 273
VAL A 302
ILE A 305
 None
 1.14A 5kr2D-1irxA:
undetectable		 5kr2D-1irxA:
10.12
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 LEU A 595
ILE A 525
GLY A 522
VAL A 537
ILE A 629
 None
 1.10A 5kr2D-1j0nA:
undetectable		 5kr2D-1j0nA:
10.27
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 LEU A 541
ILE A 592
ILE A 628
VAL A 517
ILE A 642
 None
 1.16A 5kr2D-1ji6A:
undetectable		 5kr2D-1ji6A:
10.59
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A 161
ILE A 200
GLY A 202
ILE A 141
ILE A 180
 None
 1.11A 5kr2D-1lk5A:
undetectable		 5kr2D-1lk5A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 LEU A  65
GLY A  18
PRO A 402
VAL A  23
ILE A  70
 None
 1.13A 5kr2D-1lxyA:
undetectable		 5kr2D-1lxyA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 LEU A 110
ASN A 108
ILE A  82
VAL A  91
ILE A  88
 None
 1.08A 5kr2D-1m9sA:
undetectable		 5kr2D-1m9sA:
10.75
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		5 ARG A 196
LEU A 211
ILE A 186
ILE A 168
ILE A 214
 None
 1.10A 5kr2D-1nbaA:
undetectable		 5kr2D-1nbaA:
16.15
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 1.04A 5kr2D-1o94A:
undetectable		 5kr2D-1o94A:
10.14
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.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN

(Torpedo
marmorata) 		PF02932
(Neur_chan_memb) 		5 LEU B 218
ILE B 287
ILE B 454
VAL B 222
ILE B 221
 None
 1.00A 5kr2D-1oedB:
undetectable		 5kr2D-1oedB:
14.23
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.
1q90 APOCYTOCHROME F

(Chlamydomonas
reinhardtii) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 LEU A  83
ILE A 244
ILE A  76
VAL A 128
ILE A 130
 None
 1.12A 5kr2D-1q90A:
undetectable		 5kr2D-1q90A:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.71A 5kr2D-1sivA:
18.4		 5kr2D-1sivA:
50.98
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 LEU A 180
GLY A  46
ILE A  45
VAL A  16
ILE A 176
 None
 1.05A 5kr2D-1tf1A:
undetectable		 5kr2D-1tf1A:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 LEU A 350
ILE A 305
GLY A 235
ILE A 317
ILE A 232
 None
 1.10A 5kr2D-1vheA:
undetectable		 5kr2D-1vheA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 LEU A 166
GLY A 178
ILE A 102
PRO A 169
VAL A 168
 None
FAD  A1561 ( 3.8A)
FAD  A1561 (-3.7A)
FAD  A1561 (-4.7A)
None
 1.10A 5kr2D-1w1kA:
undetectable		 5kr2D-1w1kA:
11.26
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LEU A 167
ILE A 182
GLY A 217
ILE A 227
VAL A 188
 None
 1.01A 5kr2D-1wn1A:
undetectable		 5kr2D-1wn1A:
14.89
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 LEU A 460
ILE A 250
ILE A 258
VAL A 442
ILE A 440
 None
 1.09A 5kr2D-1xr4A:
undetectable		 5kr2D-1xr4A:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydx TYPE I RESTRICTION
ENZYME SPECIFICITY
PROTEIN MG438

(Mycoplasma
genitalium) 		PF01420
(Methylase_S) 		5 ASN A 284
ILE A 204
GLY A 207
VAL A 289
ILE A 287
 None
 1.16A 5kr2D-1ydxA:
undetectable		 5kr2D-1ydxA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 LEU A   5
ASN A  23
GLY A 205
VAL A  36
ILE A  34
 None
 1.08A 5kr2D-2bwaA:
undetectable		 5kr2D-2bwaA:
17.73
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 LEU A 433
ILE A 403
ILE A 259
VAL A 424
ILE A 430
 None
 1.04A 5kr2D-2bwsA:
undetectable		 5kr2D-2bwsA:
13.91
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 LEU A  46
ILE A 101
GLY A 104
PRO A  92
ILE A   7
 None
 1.08A 5kr2D-2cevA:
undetectable		 5kr2D-2cevA:
18.75
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.80A 5kr2D-2cunA:
undetectable		 5kr2D-2cunA:
14.73
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 LEU A 329
ASN A 325
ILE A  77
ILE A  51
VAL A 286
 None
None
FAD  A1625 (-3.9A)
None
None
 1.12A 5kr2D-2f5vA:
undetectable		 5kr2D-2f5vA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A  42
ILE A  83
GLY A  24
ILE A  53
ILE A  38
 None
 1.16A 5kr2D-2f8mA:
undetectable		 5kr2D-2f8mA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.66A 5kr2D-2fmbA:
14.9		 5kr2D-2fmbA:
33.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Sulfolobus
solfataricus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 ARG A 183
ILE A 224
GLY A 227
ILE A 230
ILE A 174
 None
 1.07A 5kr2D-2izoA:
undetectable		 5kr2D-2izoA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k4m UPF0146 PROTEIN
MTH_1000

(Methanothermobacter
thermautotrophicus) 		PF03686
(UPF0146) 		5 LEU A  92
GLY A  43
ILE A  96
VAL A  39
ILE A  93
 None
 0.93A 5kr2D-2k4mA:
undetectable		 5kr2D-2k4mA:
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C

(Dickeya
dadantii) 		PF11356
(T2SSC) 		5 LEU A 145
ILE A 110
GLY A  99
PRO A 129
ILE A 135
 None
 1.13A 5kr2D-2lnvA:
undetectable		 5kr2D-2lnvA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C

(Dickeya
dadantii) 		PF11356
(T2SSC) 		5 LEU A 145
ILE A 110
PRO A 129
VAL A 128
ILE A 135
 None
 1.00A 5kr2D-2lnvA:
undetectable		 5kr2D-2lnvA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcr INOSITOL-1-MONOPHOSP
HATASE

(Aquifex
aeolicus) 		PF00459
(Inositol_P) 		5 ARG A  82
GLY A 218
ILE A 215
PRO A 113
VAL A 108
 None
 1.02A 5kr2D-2pcrA:
undetectable		 5kr2D-2pcrA:
19.70
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.
2pcr INOSITOL-1-MONOPHOSP
HATASE

(Aquifex
aeolicus) 		PF00459
(Inositol_P) 		5 ARG A  82
ILE A 221
ILE A 215
PRO A 113
VAL A 108
 None
 1.02A 5kr2D-2pcrA:
undetectable		 5kr2D-2pcrA:
19.70
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.
2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE

(Sulfolobus
solfataricus) 		PF01557
(FAA_hydrolase) 		5 LEU X 266
GLY X 222
ILE X 258
VAL X 272
ILE X 212
 None
 1.17A 5kr2D-2q1dX:
undetectable		 5kr2D-2q1dX:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qu8 PUTATIVE NUCLEOLAR
GTP-BINDING PROTEIN
1

(Plasmodium
falciparum) 		PF06858
(NOG1) 		5 ILE A 136
GLY A  36
ILE A 115
VAL A 111
ILE A 145
 None
 1.04A 5kr2D-2qu8A:
undetectable		 5kr2D-2qu8A:
19.71
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		5 ILE A   7
ILE A 291
PRO A  91
VAL A  90
ILE A  88
 None
 0.91A 5kr2D-2r7mA:
undetectable		 5kr2D-2r7mA:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.45A 5kr2D-2rkfA:
20.8		 5kr2D-2rkfA:
76.77
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 LEU A 536
GLY A 613
ILE A 585
VAL A 558
ILE A 554
 None
 1.01A 5kr2D-2w20A:
undetectable		 5kr2D-2w20A:
12.99
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		5 ILE A 634
ILE A 592
PRO A 615
VAL A 588
ILE A 589
 None
 0.97A 5kr2D-2zj4A:
undetectable		 5kr2D-2zj4A:
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ARG A 221
LEU A 162
ILE A  50
GLY A  52
VAL A 121
 PO4  A 306 (-2.8A)
None
None
None
None
 0.96A 5kr2D-3ailA:
undetectable		 5kr2D-3ailA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7m CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 LEU A   5
ASN A  23
GLY A 196
VAL A  36
ILE A  34
 None
 1.10A 5kr2D-3b7mA:
undetectable		 5kr2D-3b7mA:
19.81
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		5 LEU A 153
ILE A 206
GLY A 209
ILE A 188
ILE A 175
 None
 1.12A 5kr2D-3b8yA:
undetectable		 5kr2D-3b8yA:
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF04818
(CTD_bind) 		5 LEU A 108
GLY A  73
ILE A  72
VAL A 104
ILE A 105
 None
 1.12A 5kr2D-3cljA:
undetectable		 5kr2D-3cljA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 LEU A  57
GLY A 230
ILE A 231
VAL A  63
ILE A 157
 None
 1.13A 5kr2D-3efbA:
undetectable		 5kr2D-3efbA:
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ARG A 517
LEU A 518
ILE A 440
GLY A 365
ILE A 520
 None
 1.03A 5kr2D-3fedA:
undetectable		 5kr2D-3fedA:
11.07
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.
3i0m DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1

(Schizosaccharomyces
pombe) 		PF00498
(FHA) 		5 ILE A  52
GLY A 137
ILE A 138
VAL A 191
ILE A  17
 None
 0.93A 5kr2D-3i0mA:
undetectable		 5kr2D-3i0mA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
monocytogenes) 		PF06838
(Met_gamma_lyase) 		5 LEU A 114
GLY A  95
ILE A  96
VAL A 118
ILE A 117
 None
 1.06A 5kr2D-3jzlA:
undetectable		 5kr2D-3jzlA:
14.18
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		5 LEU A 180
ILE A 160
GLY A 162
VAL A 197
ILE A 193
 None
 1.15A 5kr2D-3l6rA:
undetectable		 5kr2D-3l6rA:
14.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 None
 0.65A 5kr2D-3mwsA:
19.5		 5kr2D-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.44A 5kr2D-3mwsA:
19.5		 5kr2D-3mwsA:
76.77
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.
3s7i ALLERGEN ARA H 1,
CLONE P41B

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 ARG A 185
ILE A 238
ILE A 266
VAL A 215
ILE A 217
 None
 1.15A 5kr2D-3s7iA:
undetectable		 5kr2D-3s7iA:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		5 ARG A 334
LEU A 338
ILE A 302
VAL A 346
ILE A 344
 None
 1.11A 5kr2D-3t32A:
undetectable		 5kr2D-3t32A:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.71A 5kr2D-3t3cA:
18.3		 5kr2D-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.46A 5kr2D-3ttpA:
19.5		 5kr2D-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.55A 5kr2D-3u7sA:
20.0		 5kr2D-3u7sA:
74.75
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.
3vzq ACETOACETYL-COA
REDUCTASE

(Cupriavidus
necator) 		PF00106
(adh_short) 		5 LEU A 199
GLY A 184
ILE A 186
VAL A 203
ILE A 202
 None
 1.05A 5kr2D-3vzqA:
undetectable		 5kr2D-3vzqA:
18.50
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 LEU A 657
ASN A 653
GLY A 737
ILE A 741
ILE A 656
 None
 1.16A 5kr2D-3wqyA:
undetectable		 5kr2D-3wqyA:
7.13
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.79A 5kr2D-4a9aA:
undetectable		 5kr2D-4a9aA:
14.89
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 LEU A 178
GLY A 313
ILE A 315
VAL A 217
ILE A 219
 None
 0.83A 5kr2D-4avoA:
undetectable		 5kr2D-4avoA:
13.59
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		5 LEU A  61
GLY A  14
PRO A 405
VAL A  19
ILE A  66
 None
 1.05A 5kr2D-4bofA:
undetectable		 5kr2D-4bofA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 LEU A  46
GLY A  17
ILE A  19
VAL A  41
ILE A  42
 None
 1.14A 5kr2D-4czaA:
undetectable		 5kr2D-4czaA:
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 LEU A 109
GLY A  62
PRO A 444
VAL A  67
ILE A 114
 None
 1.11A 5kr2D-4e4jA:
undetectable		 5kr2D-4e4jA:
11.78
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 LEU A   9
ILE A  87
GLY A 108
ILE A 110
VAL A  68
 None
 1.00A 5kr2D-4ex9A:
undetectable		 5kr2D-4ex9A:
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		5 LEU A 387
ILE A 453
GLY A 482
VAL A 427
ILE A 429
 None
 1.15A 5kr2D-4fe9A:
undetectable		 5kr2D-4fe9A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 LEU A 148
ILE A  80
GLY A 105
VAL A 151
ILE A 147
 None
 1.15A 5kr2D-4gt6A:
undetectable		 5kr2D-4gt6A:
14.10
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		5 LEU A 183
GLY A 208
ILE A 195
VAL A 179
ILE A 180
 None
 0.99A 5kr2D-4h0oA:
undetectable		 5kr2D-4h0oA:
13.12
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.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  23
ILE A 266
GLY A 270
ILE A  86
VAL A  21
 None
 1.16A 5kr2D-4jn7A:
undetectable		 5kr2D-4jn7A:
17.25
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.
4lik DNA PRIMASE SMALL
SUBUNIT

(Homo sapiens) 		PF01896
(DNA_primase_S) 		5 LEU A 336
GLY A 164
ILE A 110
VAL A 339
ILE A 334
 None
 0.86A 5kr2D-4likA:
undetectable		 5kr2D-4likA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 776
ASN A 779
GLY A 736
ILE A 714
VAL A 762
 None
 1.16A 5kr2D-4mn8A:
undetectable		 5kr2D-4mn8A:
10.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 5kr2D-4njvA:
20.4		 5kr2D-4njvA:
83.84
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.
4o7h GLUTATHIONE
S-TRANSFERASE

(Rhodospirillum
rubrum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A 170
ILE A 130
PRO A 180
VAL A 179
ILE A 173
 None
 1.11A 5kr2D-4o7hA:
undetectable		 5kr2D-4o7hA:
17.90
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 ARG A 221
LEU A 163
ILE A  51
GLY A  53
VAL A 122
 None
 0.98A 5kr2D-4p9nA:
undetectable		 5kr2D-4p9nA:
15.56
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 LEU A 432
ILE A 402
ILE A 257
VAL A 423
ILE A 429
 None
 1.05A 5kr2D-4pv4A:
undetectable		 5kr2D-4pv4A:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 359
ILE A 294
ILE A 259
VAL A 362
ILE A 358
 None
 1.15A 5kr2D-4w7sA:
undetectable		 5kr2D-4w7sA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcu FIBROBLAST GROWTH
FACTOR RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 526
ILE A 628
ILE A 609
VAL A 523
ILE A 527
 None
 1.13A 5kr2D-4xcuA:
undetectable		 5kr2D-4xcuA:
18.14
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
 None
 0.95A 5kr2D-4ywlA:
undetectable		 5kr2D-4ywlA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASN A  25
GLY A  49
PRO A  81
ILE A  84
 None
 1.10A 5kr2D-5b18A:
17.9		 5kr2D-5b18A:
71.72
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 LEU B 608
ILE B 578
ILE B 660
VAL B 604
ILE B 605
 None
 1.07A 5kr2D-5dlqB:
undetectable		 5kr2D-5dlqB:
7.21
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 LEU A  78
ILE A  97
ILE A  67
VAL A  74
ILE A  75
 None
 1.12A 5kr2D-5dlyA:
undetectable		 5kr2D-5dlyA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A 179
ILE A 106
GLY A 232
ILE A 236
ILE A 208
 None
 1.15A 5kr2D-5dmhA:
undetectable		 5kr2D-5dmhA:
12.30
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.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 242
ASN A 238
ILE A  91
ILE A  96
ILE A 241
 None
 0.98A 5kr2D-5dtbA:
undetectable		 5kr2D-5dtbA:
17.98
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.
5gs2 REPEBODY

(Escherichia
coli) 		PF11921
(DUF3439)
PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 LEU B  75
ASN B  73
ILE B  47
VAL B  56
ILE B  53
 None
 1.15A 5kr2D-5gs2B:
undetectable		 5kr2D-5gs2B:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5il7 RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF12799
(LRR_4)
PF13516
(LRR_6) 		5 LEU A 415
ASN A 413
ILE A 342
PRO A 387
ILE A 383
 None
 1.13A 5kr2D-5il7A:
undetectable		 5kr2D-5il7A:
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 LEU A  66
ILE A 121
GLY A 112
ILE A 111
VAL A  69
 None
 1.03A 5kr2D-5kk5A:
undetectable		 5kr2D-5kk5A:
6.11
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.
5mz9 -

(-) 		no annotation 5 LEU A 552
GLY A 387
ILE A 385
VAL A 547
ILE A 395
 None
 1.15A 5kr2D-5mz9A:
undetectable		 5kr2D-5mz9A:
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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 5 LEU A 203
ILE A 135
GLY A 177
ILE A 178
ILE A 199
 None
 1.11A 5kr2D-5n9mA:
undetectable		 5kr2D-5n9mA:
21.78
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 LEU A 176
GLY A 139
PRO A 186
VAL A 185
ILE A 179
 None
 1.15A 5kr2D-5nr1A:
undetectable		 5kr2D-5nr1A:
14.68
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 LEU A  79
ASN A  76
GLY A  70
ILE A  67
PRO A  94
 None
 1.17A 5kr2D-5o1mA:
undetectable		 5kr2D-5o1mA:
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.
5oy9 GLYCOPROTEIN G

(Indiana
vesiculovirus) 		no annotation 5 LEU A 374
ILE A 319
GLY A 321
VAL A 366
ILE A 368
 None
 1.12A 5kr2D-5oy9A:
undetectable		 5kr2D-5oy9A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.44A 5kr2D-5t2zA:
20.1		 5kr2D-5t2zA:
77.78
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
wolfeii) 		PF12838
(Fer4_7) 		5 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.07A 5kr2D-5t5iG:
undetectable		 5kr2D-5t5iG:
24.00
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 5 LEU A  44
GLY A  63
ILE A  67
VAL A  77
ILE A  46
 None
 1.17A 5kr2D-5ud0A:
undetectable		 5kr2D-5ud0A:
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 805
ASN A 735
GLY A 615
VAL A 624
ILE A 621
 None
 1.07A 5kr2D-5um6A:
undetectable		 5kr2D-5um6A:
7.66
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.
6fml INO80

(Chaetomium
thermophilum) 		no annotation 5 LEU G1190
ILE G 991
GLY G 993
ILE G 994
ILE G1193
 None
 1.09A 5kr2D-6fmlG:
undetectable		 5kr2D-6fmlG:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.69A 5kr2D-6upjA:
18.1		 5kr2D-6upjA:
47.47