SIMILAR PATTERNS OF AMINO ACIDS FOR 5KR1_B_017B101

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.
1aug PYROGLUTAMYL
PEPTIDASE-1

(Bacillus
amyloliquefaciens) 		PF01470
(Peptidase_C15) 		5 LEU A   7
ALA A 200
ILE A 126
VAL A  69
ILE A  67
 None
 0.94A 5kr1A-1augA:
undetectable		 5kr1A-1augA:
19.29
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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 ARG A 222
ALA A 149
ASP A 147
GLY A 347
ILE A 187
 None
 1.01A 5kr1A-1b65A:
undetectable		 5kr1A-1b65A:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 5kr1A-1d0bA:
undetectable		 5kr1A-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.
1dby CHLOROPLAST
THIOREDOXIN M CH2

(Chlamydomonas
reinhardtii) 		PF00085
(Thioredoxin) 		5 LEU A  57
ILE A  37
GLY A  91
ILE A  90
VAL A  24
 None
 0.99A 5kr1A-1dbyA:
undetectable		 5kr1A-1dbyA:
23.85
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B2249
GLY B2263
ILE B2262
VAL B2253
ILE B2252
 None
 0.99A 5kr1A-1e6yB:
undetectable		 5kr1A-1e6yB:
14.32
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		5 LEU A 491
ASP A 412
ILE A 380
ILE A 496
VAL A 517
 None
 1.07A 5kr1A-1gm5A:
undetectable		 5kr1A-1gm5A:
8.95
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 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.78A 5kr1A-1hvcA:
13.8		 5kr1A-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 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
 0.76A 5kr1A-1hvcA:
13.8		 5kr1A-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.60A 5kr1A-1hvcA:
13.8		 5kr1A-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.57A 5kr1A-1hvcA:
13.8		 5kr1A-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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 209
ALA A 136
GLY A 183
VAL A 231
ILE A 210
 None
 1.06A 5kr1A-1hylA:
undetectable		 5kr1A-1hylA:
19.09
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.
1jfl ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 ALA A  85
ILE A  45
GLY A   8
ILE A   6
ILE A  92
 None
 0.75A 5kr1A-1jflA:
undetectable		 5kr1A-1jflA:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 LEU A 175
ASP A 160
ILE A 145
VAL A 164
ILE A 162
 None
None
CL  A 300 ( 4.7A)
None
None
 1.06A 5kr1A-1jg3A:
undetectable		 5kr1A-1jg3A:
20.45
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ARG A 298
ALA A 287
GLY A 244
ILE A 243
ILE A 251
 None
 0.92A 5kr1A-1kczA:
undetectable		 5kr1A-1kczA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A 161
ALA A 147
ILE A 200
GLY A 202
ILE A 141
 None
 1.06A 5kr1A-1lk5A:
undetectable		 5kr1A-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.
1lvw GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Methanothermobacter
thermautotrophicus) 		PF00483
(NTP_transferase) 		5 ARG A  78
LEU A  50
ILE A 197
GLY A  85
ILE A   4
 None
None
None
TYD  A3001 (-3.5A)
None
 1.04A 5kr1A-1lvwA:
undetectable		 5kr1A-1lvwA:
15.02
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ALA A 516
GLY A 533
ILE A 553
VAL A 131
ILE A 310
 None
FAD  A3000 (-3.4A)
FAD  A3000 (-3.6A)
None
None
 1.05A 5kr1A-1m64A:
undetectable		 5kr1A-1m64A:
12.29
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.
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
 1.03A 5kr1A-1m9sA:
undetectable		 5kr1A-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.
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 5kr1A-1oedB:
undetectable		 5kr1A-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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ALA A 107
ASP A 103
ILE A  99
GLY A 120
ILE A 119
 None
 1.06A 5kr1A-1oi7A:
undetectable		 5kr1A-1oi7A:
16.98
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) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
 0.96A 5kr1A-1sivA:
18.2		 5kr1A-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) 		6 ARG A   8
LEU A  23
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
 0.69A 5kr1A-1sivA:
18.2		 5kr1A-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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		5 LEU A 330
ILE A 195
GLY A 212
ILE A 227
ILE A 353
 None
 1.06A 5kr1A-1vlpA:
undetectable		 5kr1A-1vlpA:
12.59
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.
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
 1.05A 5kr1A-1wn1A:
undetectable		 5kr1A-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.
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
 1.03A 5kr1A-1ydxA:
undetectable		 5kr1A-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.
2dnc PYRUVATE
DEHYDROGENASE
PROTEIN X COMPONENT

(Homo sapiens) 		PF00364
(Biotin_lipoyl) 		5 ALA A  55
ASP A  57
ILE A   8
GLY A  80
ILE A  64
 None
 1.00A 5kr1A-2dncA:
undetectable		 5kr1A-2dncA:
22.12
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.
2ehh DIHYDRODIPICOLINATE
SYNTHASE

(Aquifex
aeolicus) 		PF00701
(DHDPS) 		5 ALA A  96
ASP A  97
ILE A  73
GLY A  75
ILE A 127
 None
 0.99A 5kr1A-2ehhA:
undetectable		 5kr1A-2ehhA:
15.65
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.
2f2b AQUAPORIN AQPM

(Methanothermobacter
marburgensis) 		PF00230
(MIP) 		5 LEU A 157
ALA A 175
GLY A  74
VAL A  85
ILE A 161
 GOL  A 501 (-4.8A)
None
None
GOL  A 501 (-4.9A)
None
 1.02A 5kr1A-2f2bA:
undetectable		 5kr1A-2f2bA:
16.81
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 LEU A  23
ILE A  53
GLY A  55
VAL A  87
ILE A  89
 None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.55A 5kr1A-2fmbA:
14.7		 5kr1A-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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		5 LEU A 204
ASP A 179
ILE A 281
VAL A 208
ILE A 207
 None
 1.04A 5kr1A-2jlsA:
undetectable		 5kr1A-2jlsA:
14.15
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.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		5 LEU A 134
ALA A 141
ILE A 103
VAL A  87
ILE A 138
 None
 1.03A 5kr1A-2nr7A:
undetectable		 5kr1A-2nr7A:
22.91
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.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE

(Mycobacterium
tuberculosis) 		PF00692
(dUTPase) 		5 LEU A  74
ASN A 132
ALA A 134
GLY A 105
ILE A 138
 None
 1.07A 5kr1A-2qlpA:
undetectable		 5kr1A-2qlpA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rd5 ACETYLGLUTAMATE
KINASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 LEU A 263
ILE A 231
GLY A 292
ILE A 273
ILE A 295
 None
None
ARG  A1000 (-4.4A)
None
None
 1.05A 5kr1A-2rd5A:
undetectable		 5kr1A-2rd5A:
18.90
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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.03A 5kr1A-2rkfA:
20.4		 5kr1A-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) 		5 LEU A  23
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.76A 5kr1A-2rkfA:
20.4		 5kr1A-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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ARG A  60
ASP A  65
GLY A 549
ILE A 550
ILE A  63
 None
 1.04A 5kr1A-2waeA:
undetectable		 5kr1A-2waeA:
10.44
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 LEU A 681
ALA A 661
GLY A 655
VAL A 692
ILE A 687
 None
 1.03A 5kr1A-2zj8A:
undetectable		 5kr1A-2zj8A:
10.61
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.
3ep1 PGRP-HD -
PEPTIDOGLYCAN
RECOGNITION PROTEIN
HOMOLOGUE

(Alvinella
pompejana) 		PF01510
(Amidase_2) 		6 LEU A 104
ALA A 222
ASP A 100
ILE A 210
VAL A 186
ILE A 102
 None
 1.35A 5kr1A-3ep1A:
undetectable		 5kr1A-3ep1A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER

([Haemophilus]
ducreyi) 		PF04310
(MukB)
PF13558
(SbcCD_C) 		5 LEU A1290
GLY A1396
ILE A1399
VAL A1301
ILE A1293
 None
 1.01A 5kr1A-3eujA:
undetectable		 5kr1A-3eujA:
11.93
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		5 LEU A  61
ASP A  40
ILE A 219
VAL A  44
ILE A  42
 None
 1.06A 5kr1A-3f4nA:
undetectable		 5kr1A-3f4nA:
18.18
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.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		5 LEU A 114
GLY A  95
ILE A  96
VAL A 118
ILE A 117
 None
 0.89A 5kr1A-3fd0A:
undetectable		 5kr1A-3fd0A:
12.75
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.
3jx8 PUTATIVE LIPOPROTEIN

(Parabacteroides
distasonis) 		PF10988
(DUF2807) 		5 LEU A 177
ASP A 213
ILE A 170
VAL A 155
ILE A 175
 None
 1.03A 5kr1A-3jx8A:
undetectable		 5kr1A-3jx8A:
17.99
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.
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
 0.85A 5kr1A-3jzlA:
undetectable		 5kr1A-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.
3k2n SIGMA-54-DEPENDENT
TRANSCRIPTIONAL
REGULATOR

(Chlorobaculum
tepidum) 		PF13185
(GAF_2) 		5 LEU A 150
ALA A 158
GLY A 130
ILE A  41
VAL A  86
 None
 1.01A 5kr1A-3k2nA:
undetectable		 5kr1A-3k2nA:
17.16
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 LEU A 118
ALA A 250
GLY A 139
ILE A 138
ILE A 114
 None
None
SO4  A 311 (-3.5A)
None
None
 1.03A 5kr1A-3kvyA:
undetectable		 5kr1A-3kvyA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		5 LEU B  55
ALA B  77
ASP B  51
VAL B   8
ILE B  53
 None
 0.99A 5kr1A-3kyjB:
undetectable		 5kr1A-3kyjB:
23.13
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.
3l8h PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bordetella
bronchiseptica) 		PF13242
(Hydrolase_like) 		5 LEU A   3
ALA A  49
ASP A   7
VAL A 121
ILE A   5
 None
None
PO4  A2001 ( 2.8A)
None
None
 0.92A 5kr1A-3l8hA:
undetectable		 5kr1A-3l8hA:
22.94
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.
3lua RESPONSE REGULATOR
RECEIVER PROTEIN

(Ruminiclostridium
thermocellum) 		PF00072
(Response_reg) 		5 LEU A  51
ALA A  85
ASP A  55
VAL A   5
ILE A  53
 None
 1.02A 5kr1A-3luaA:
undetectable		 5kr1A-3luaA:
24.78
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.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		5 ARG A  20
LEU A 110
ALA A 107
GLY A 350
ILE A 346
 None
 1.07A 5kr1A-3majA:
undetectable		 5kr1A-3majA:
14.74
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) 		8 ARG A   8
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.69A 5kr1A-3mwsA:
19.4		 5kr1A-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) 		8 ARG A   8
LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.37A 5kr1A-3mwsA:
19.4		 5kr1A-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 ARG A   8
LEU A  23
ILE A  54
GLY A  49
ILE A  50
ILE A  84
 None
 1.46A 5kr1A-3mwsA:
19.4		 5kr1A-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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 LEU A 711
ALA A 676
ILE A 425
VAL A 523
ILE A 525
 None
 0.82A 5kr1A-3o8lA:
undetectable		 5kr1A-3o8lA:
9.13
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.
3ors N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE

(Staphylococcus
aureus) 		PF00731
(AIRC) 		5 ALA A  67
ILE A  86
GLY A  93
ILE A  94
ILE A 100
 None
 1.03A 5kr1A-3orsA:
undetectable		 5kr1A-3orsA:
20.73
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.
3puo DIHYDRODIPICOLINATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		5 ALA A  97
ASP A  98
ILE A  74
GLY A  76
ILE A 128
 None
 1.03A 5kr1A-3puoA:
undetectable		 5kr1A-3puoA:
15.60
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  52
ASP A  32
GLY A  63
ILE A  67
VAL A  36
 None
 0.96A 5kr1A-3r11A:
undetectable		 5kr1A-3r11A:
14.84
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 LEU A 308
ASP A 326
ILE A 327
GLY A 285
VAL A 372
 None
 0.92A 5kr1A-3rh9A:
undetectable		 5kr1A-3rh9A:
12.19
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 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.75A 5kr1A-3t3cA:
18.1		 5kr1A-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) 		5 LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.94A 5kr1A-3t3cA:
18.1		 5kr1A-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.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 LEU A  17
ASN A  48
ALA A  46
GLY A 213
VAL A  13
 None
 1.04A 5kr1A-3tfwA:
undetectable		 5kr1A-3tfwA:
16.60
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
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.54A 5kr1A-3ttpA:
19.1		 5kr1A-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) 		5 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
 None
None
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
 0.90A 5kr1A-3u7sA:
19.5		 5kr1A-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 ARG A   8
LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 None
None
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.97A 5kr1A-3u7sA:
19.5		 5kr1A-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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		5 ALA A 118
GLY A 200
ILE A 232
VAL A 195
ILE A 122
 None
 1.06A 5kr1A-3w0sA:
undetectable		 5kr1A-3w0sA:
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.
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
 0.80A 5kr1A-4a9aA:
undetectable		 5kr1A-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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 LEU A 343
ILE A 356
ILE A 310
VAL A 339
ILE A 340
 None
EDO  A 405 (-3.8A)
None
None
None
 0.95A 5kr1A-4fmzA:
undetectable		 5kr1A-4fmzA:
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		5 ARG A 159
ALA A 147
ASP A 149
GLY A  72
ILE A  71
 None
 0.92A 5kr1A-4if2A:
undetectable		 5kr1A-4if2A:
15.41
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.
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
 0.95A 5kr1A-4likA:
undetectable		 5kr1A-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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 LEU A  54
ALA A 160
ILE A 364
GLY A 173
ILE A 156
 LEU  A  54 ( 0.6A)
ALA  A 160 ( 0.0A)
ILE  A 364 ( 0.7A)
GLY  A 173 ( 0.0A)
ILE  A 156 ( 0.7A)
 1.06A 5kr1A-4mwtA:
undetectable		 5kr1A-4mwtA:
13.16
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		6 LEU A  82
ALA A 101
ILE A  62
GLY A   8
VAL A  81
ILE A  78
 None
 1.30A 5kr1A-4nesA:
undetectable		 5kr1A-4nesA:
15.23
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 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.71A 5kr1A-4njvA:
20.2		 5kr1A-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.45A 5kr1A-4njvA:
20.2		 5kr1A-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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 682
ALA A 743
ASP A 754
GLY A 784
VAL A 788
 None
 0.95A 5kr1A-4okdA:
undetectable		 5kr1A-4okdA:
8.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 1.01A 5kr1A-4tnbA:
undetectable		 5kr1A-4tnbA:
10.63
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.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ASP A 217
ILE A 245
GLY A 267
ILE A 279
ILE A 215
 None
 0.99A 5kr1A-4twbA:
undetectable		 5kr1A-4twbA:
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.
4w5j ADENYLATE KINASE

(Streptococcus
pneumoniae) 		PF00406
(ADK) 		5 ARG A 124
LEU A 121
ILE A 179
ILE A   5
VAL A 116
 AP5  A 302 (-3.5A)
None
None
None
None
 0.99A 5kr1A-4w5jA:
undetectable		 5kr1A-4w5jA:
18.54
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 1.06A 5kr1A-4yhjA:
undetectable		 5kr1A-4yhjA:
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.
4ypo KETOL-ACID
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 LEU A 161
ALA A   7
ASP A   6
GLY A 171
ILE A 169
 None
 0.97A 5kr1A-4ypoA:
undetectable		 5kr1A-4ypoA:
14.84
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.
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
 0.88A 5kr1A-4ywlA:
undetectable		 5kr1A-4ywlA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ARG A 188
LEU A  71
ILE A 168
GLY A 133
ILE A 131
 None
 1.00A 5kr1A-5bn4A:
undetectable		 5kr1A-5bn4A:
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A 330
ASP A 444
ILE A 324
VAL A 364
ILE A 362
 None
 1.05A 5kr1A-5bwiA:
undetectable		 5kr1A-5bwiA:
13.26
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A  93
ILE A  79
GLY A   7
ILE A   6
ILE A 116
 None
 1.06A 5kr1A-5d01A:
undetectable		 5kr1A-5d01A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN

(Thermobifida
fusca) 		PF01497
(Peripla_BP_2) 		5 ASP A 177
ILE A 174
ILE A 160
VAL A 139
ILE A 151
 None
 0.92A 5kr1A-5dh2A:
undetectable		 5kr1A-5dh2A:
17.24
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 LEU A 637
ALA A 658
GLY A 631
ILE A 628
VAL A 477
 None
 1.03A 5kr1A-5hlbA:
undetectable		 5kr1A-5hlbA:
8.94
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.
5k97 FLAP ENDONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 ALA A 246
ASP A 248
GLY A 240
VAL A 260
ILE A 259
 None
 1.04A 5kr1A-5k97A:
undetectable		 5kr1A-5k97A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz9 -

(-) 		no annotation 5 ALA A 303
GLY A 387
ILE A 385
VAL A 547
ILE A 395
 None
 0.98A 5kr1A-5mz9A:
undetectable		 5kr1A-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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 LEU A1007
ASP A 896
ILE A 880
ILE A 906
ILE A 921
 None
CA  A9014 (-2.3A)
None
None
None
 1.07A 5kr1A-5n8pA:
undetectable		 5kr1A-5n8pA:
6.29
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 LEU A1007
ASP A 896
ILE A 880
ILE A 906
ILE A 921
 None
CA  A9014 (-2.3A)
None
None
None
 1.07A 5kr1A-5n97A:
undetectable		 5kr1A-5n97A:
7.53
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 ALA A 249
ASP A 120
ILE A 144
ILE A 258
ILE A 245
 None
 0.93A 5kr1A-5oynA:
undetectable		 5kr1A-5oynA:
20.21
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 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
 0.82A 5kr1A-5t2zA:
19.6		 5kr1A-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.46A 5kr1A-5t2zA:
19.6		 5kr1A-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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A 382
ALA A 244
ILE A 311
GLY A 237
VAL A 378
 None
 0.98A 5kr1A-5u4hA:
undetectable		 5kr1A-5u4hA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 LEU A  37
ALA A 586
ILE A 544
GLY A 659
ILE A 571
 None
 0.97A 5kr1A-5ubkA:
undetectable		 5kr1A-5ubkA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uze INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Clostridium
perfringens) 		PF00478
(IMPDH) 		5 LEU A 329
ALA A 290
ILE A 272
GLY A 274
ILE A 331
 None
 0.96A 5kr1A-5uzeA:
undetectable		 5kr1A-5uzeA:
15.57
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.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN

(Pyrococcus
horikoshii) 		no annotation 5 ARG A 199
LEU A  76
ILE A 174
GLY A 137
ILE A 135
 None
 1.03A 5kr1A-5x09A:
undetectable		 5kr1A-5x09A:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6acd -

(-) 		no annotation 5 ALA A 676
ILE A 674
GLY A 638
ILE A 637
ILE A 652
 None
 1.03A 5kr1A-6acdA:
undetectable		 5kr1A-6acdA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 LEU F 133
ALA F  48
GLY F  24
ILE F  27
VAL F 129
 None
 1.02A 5kr1A-6cfwF:
undetectable		 5kr1A-6cfwF:
20.56
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ARG A 247
ILE A 152
GLY A 150
VAL A  63
ILE A  65
 None
 0.99A 5kr1A-6ekiA:
undetectable		 5kr1A-6ekiA:
23.00
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 ARG A   8
LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.91A 5kr1A-6upjA:
17.6		 5kr1A-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) 		5 ARG A   8
LEU A  23
GLY A  49
ILE A  50
ILE A  84
 None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.97A 5kr1A-6upjA:
17.6		 5kr1A-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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 106
ALA A 107
ASP A 108
ASP A 138
 None
 0.46A 5kr1B-1e43A:
undetectable		 5kr1B-1e43A:
12.34
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) 		4 ALA A  28
ASP A  29
VAL A  32
GLY A  48
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
 0.64A 5kr1B-1hvcA:
13.7		 5kr1B-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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.55A 5kr1B-1hvcA:
13.7		 5kr1B-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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.54A 5kr1B-1hvcA:
13.7		 5kr1B-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.
1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY B  90
ALA B  91
VAL B  42
GLY B  83
ILE B  84
 None
 1.38A 5kr1B-1olxB:
undetectable		 5kr1B-1olxB:
17.03
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.47A 5kr1B-1q9pA:
10.0		 5kr1B-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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.60A 5kr1B-1sivA:
18.0		 5kr1B-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.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		4 GLY A  56
ALA A  57
ASP A  58
GLY A  72
 None
 0.61A 5kr1B-1tlgA:
undetectable		 5kr1B-1tlgA:
17.99
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		5 ALA A 173
ASP A 437
VAL A 161
GLY A 434
ILE A 433
 None
 1.50A 5kr1B-1w8jA:
undetectable		 5kr1B-1w8jA:
9.33
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		4 GLY A 424
ALA A 425
ASP A 426
ILE A 354
 None
 0.52A 5kr1B-1x0uA:
undetectable		 5kr1B-1x0uA:
17.42
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 GLY A  92
ALA A  93
ASP A  94
ILE A  55
 None
 0.60A 5kr1B-1x7fA:
undetectable		 5kr1B-1x7fA:
12.60
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 0.66A 5kr1B-1yw6A:
undetectable		 5kr1B-1yw6A:
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.
2di4 CELL DIVISION
PROTEIN FTSH HOMOLOG

(Aquifex
aeolicus) 		PF01434
(Peptidase_M41) 		4 GLY A 492
ALA A 493
ASP A 496
ILE A 417
 None
None
HG  A1001 (-2.3A)
None
 0.67A 5kr1B-2di4A:
undetectable		 5kr1B-2di4A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 GLY A 186
ALA A 185
VAL A 169
GLY A 154
ILE A 153
 BTX  A 501 (-3.3A)
None
None
None
None
 1.46A 5kr1B-2ewnA:
undetectable		 5kr1B-2ewnA:
17.95
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 GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  54
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.6A)
 0.72A 5kr1B-2fmbA:
15.2		 5kr1B-2fmbA:
33.02
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 GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
 0.46A 5kr1B-2fmbA:
15.2		 5kr1B-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.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		4 ASN A 108
GLY A 109
VAL A 105
GLY A 115
 None
 0.57A 5kr1B-2fw2A:
undetectable		 5kr1B-2fw2A:
17.24
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.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		4 GLY A 388
ALA A 389
ASP A 390
ILE A 270
 None
 0.53A 5kr1B-2gwcA:
undetectable		 5kr1B-2gwcA:
11.83
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 (-3.9A)
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)
 0.40A 5kr1B-2rkfA:
20.4		 5kr1B-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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.61A 5kr1B-2vn8A:
undetectable		 5kr1B-2vn8A:
15.64
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 280
ALA A 281
ASP A 255
GLY A 247
 None
 0.62A 5kr1B-2wd9A:
undetectable		 5kr1B-2wd9A:
11.23
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ALA A 497
VAL A 488
GLY A 658
ILE A 671
 None
 0.64A 5kr1B-2wtbA:
undetectable		 5kr1B-2wtbA:
7.31
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLY X 255
ALA X 256
GLY X 451
ILE X 450
 None
 0.63A 5kr1B-2y9eX:
undetectable		 5kr1B-2y9eX:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjt ATP-DEPENDENT RNA
HELICASE SRMB

(Escherichia
coli) 		PF00271
(Helicase_C) 		4 ALA D 229
ASP D 230
ASP D 231
ILE D 376
 None
 0.66A 5kr1B-2yjtD:
undetectable		 5kr1B-2yjtD:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjv REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Escherichia
coli) 		PF03737
(RraA-like) 		4 GLY A  67
ASP A  64
VAL A  91
GLY A 134
 None
 0.57A 5kr1B-2yjvA:
undetectable		 5kr1B-2yjvA:
20.62
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.
2zki 199AA LONG
HYPOTHETICAL TRP
REPRESSOR BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF03358
(FMN_red) 		4 GLY A 162
ALA A 163
GLY A 184
ILE A 187
 None
 0.59A 5kr1B-2zkiA:
undetectable		 5kr1B-2zkiA:
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 317
ASP A 320
ASP A 323
ILE A 272
 GOL  A 502 (-3.6A)
None
None
None
 0.56A 5kr1B-3be7A:
undetectable		 5kr1B-3be7A:
14.32
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.
3c8o REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Pseudomonas
aeruginosa) 		PF03737
(RraA-like) 		4 GLY A  67
ASP A  64
VAL A  91
GLY A 134
 EDO  A 177 (-4.3A)
None
None
None
 0.66A 5kr1B-3c8oA:
undetectable		 5kr1B-3c8oA:
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.
3etl DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
maripaludis) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 GLY A 165
ALA A 166
GLY A  83
ILE A 320
 None
 0.60A 5kr1B-3etlA:
undetectable		 5kr1B-3etlA:
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 GLY A 166
ALA A 167
VAL A  99
GLY A 186
 None
 0.67A 5kr1B-3g7rA:
undetectable		 5kr1B-3g7rA:
17.76
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.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		4 GLY A 111
ALA A 112
ASP A 113
GLY A  73
 None
 0.61A 5kr1B-3gmiA:
undetectable		 5kr1B-3gmiA:
15.03
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 GLY A 121
ALA A 122
ASP A 123
ILE A  89
 None
 0.64A 5kr1B-3gveA:
undetectable		 5kr1B-3gveA:
16.92
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.
3hrx PROBABLE ENOYL-COA
HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		4 ASN A  99
GLY A 100
VAL A  96
GLY A 106
 None
 0.54A 5kr1B-3hrxA:
undetectable		 5kr1B-3hrxA:
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.
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
 1.24A 5kr1B-3hstB:
undetectable		 5kr1B-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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.68A 5kr1B-3i5gA:
undetectable		 5kr1B-3i5gA:
8.48
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.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		4 GLY A 175
ALA A 176
ASP A 177
GLY A 320
 None
 0.58A 5kr1B-3ke6A:
undetectable		 5kr1B-3ke6A:
12.79
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 ASP A 286
ASP A  13
VAL A  11
GLY A  16
ILE A  34
 MN  A 395 (-2.2A)
MN  A 396 (-2.0A)
None
None
None
 1.36A 5kr1B-3m8yA:
undetectable		 5kr1B-3m8yA:
14.39
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A1316
ASP A1314
GLY A1353
ILE A1310
 None
 0.65A 5kr1B-3mmpA:
undetectable		 5kr1B-3mmpA:
10.02
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
VAL A  32
GLY A  48
 None
 0.62A 5kr1B-3mwsA:
19.7		 5kr1B-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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.47A 5kr1B-3mwsA:
19.7		 5kr1B-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 GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
 0.46A 5kr1B-3mwsA:
19.7		 5kr1B-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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 GLY A  88
ALA A  89
ASP A  90
GLY A 188
 None
 0.57A 5kr1B-3ooxA:
undetectable		 5kr1B-3ooxA:
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 512
ALA A 231
VAL A 268
GLY A 236
ILE A 213
 None
 1.21A 5kr1B-3opyA:
undetectable		 5kr1B-3opyA:
8.24
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 ASN A  27
GLY A  29
ALA A  30
GLY A  36
 None
 0.53A 5kr1B-3r0zA:
undetectable		 5kr1B-3r0zA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 GLY A 242
VAL A 124
GLY A 266
ILE A 267
 SO4  A   1 (-3.3A)
None
None
None
 0.67A 5kr1B-3rm5A:
undetectable		 5kr1B-3rm5A:
12.62
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.
3s99 BASIC MEMBRANE
LIPOPROTEIN

(Brucella
abortus) 		PF02608
(Bmp) 		4 GLY A 134
VAL A 245
GLY A 160
ILE A 161
 None
 0.65A 5kr1B-3s99A:
undetectable		 5kr1B-3s99A:
17.68
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.66A 5kr1B-3slzA:
11.1		 5kr1B-3slzA:
27.41
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) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 017  A 201 (-3.4A)
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)
 0.22A 5kr1B-3t3cA:
18.8		 5kr1B-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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		4 GLY A 235
ALA A 236
ASP A 237
ILE A 206
 None
 0.67A 5kr1B-3t44A:
undetectable		 5kr1B-3t44A:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 ASN A 224
GLY A 226
ALA A 227
GLY A 104
 None
 0.52A 5kr1B-3tnxA:
undetectable		 5kr1B-3tnxA:
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.
3to4 NKT VBETA2 (MOUSE
VARIABLE DOMAIN,
HUMAN CONSTANT
DOMAIN)

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY D  63
ALA D  64
ASP D  65
GLY D  16
 None
 0.64A 5kr1B-3to4D:
undetectable		 5kr1B-3to4D:
16.18
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) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.3A)
 0.47A 5kr1B-3ttpA:
19.3		 5kr1B-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) 		5 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.37A 5kr1B-3ttpA:
19.3		 5kr1B-3ttpA:
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.
3u07 UNCHARACTERIZED
PROTEIN VPA0106

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 ASN A 160
GLY A 226
ASP A 158
ASP A 115
VAL A 162
 None
 1.27A 5kr1B-3u07A:
undetectable		 5kr1B-3u07A:
11.88
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLY A  91
ALA A  90
GLY A  17
ILE A  16
 None
 0.67A 5kr1B-3u5tA:
undetectable		 5kr1B-3u5tA:
17.20
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 ( 3.5A)
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)
 0.33A 5kr1B-3u7sA:
19.9		 5kr1B-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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		4 GLY A 504
ALA A 505
GLY A 447
ILE A 446
 ANP  A2001 ( 3.9A)
None
None
None
 0.58A 5kr1B-3ummA:
undetectable		 5kr1B-3ummA:
5.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		4 GLY A  27
ALA A  28
ASP A  29
GLY A 398
 None
 0.66A 5kr1B-3wfzA:
undetectable		 5kr1B-3wfzA:
8.66
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 GLY A 282
ASP A 251
VAL A   7
GLY A 276
ILE A 296
 None
 1.27A 5kr1B-3wj2A:
undetectable		 5kr1B-3wj2A:
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 GLY X 577
ALA X 578
GLY X 355
ILE X 357
 None
 0.62A 5kr1B-3zyyX:
undetectable		 5kr1B-3zyyX:
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.
4bj4 AMPDH2

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF01510
(Amidase_2) 		4 GLY A 230
ALA A 231
ASP A 155
GLY A 165
 None
 0.59A 5kr1B-4bj4A:
undetectable		 5kr1B-4bj4A:
16.94
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		4 GLY I 577
ALA I 578
GLY I 355
ILE I 357
 None
 0.67A 5kr1B-4c1nI:
undetectable		 5kr1B-4c1nI:
13.13
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		5 GLY A  51
ALA A  98
ASP A  99
GLY A 283
ILE A 285
 None
None
None
CL  A1331 ( 4.7A)
CO3  A1336 ( 4.9A)
 1.32A 5kr1B-4cuoA:
undetectable		 5kr1B-4cuoA:
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.
4dy5 GIFSY-1 PROPHAGE
PROTEIN

(Salmonella
enterica) 		PF04151
(PPC) 		4 ASN A  68
GLY A  70
ALA A  71
ASP A  72
 None
None
None
GOL  A 202 (-3.1A)
 0.60A 5kr1B-4dy5A:
undetectable		 5kr1B-4dy5A:
19.69
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 GLY A  76
ALA A  75
GLY A  14
ILE A  13
 None
 0.62A 5kr1B-4e4yA:
undetectable		 5kr1B-4e4yA:
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLY A 199
ALA A 200
ASP A 203
GLY A 130
 None
 0.57A 5kr1B-4eutA:
undetectable		 5kr1B-4eutA:
14.25
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.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 GLY A 571
ALA A 570
VAL A 698
GLY A 613
 None
 0.64A 5kr1B-4fn5A:
undetectable		 5kr1B-4fn5A:
9.83
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.
4g9s INHIBITOR OF G-TYPE
LYSOZYME

(Escherichia
coli) 		PF04151
(PPC) 		4 ASN B  68
GLY B  70
ALA B  71
ASP B  72
 None
 0.56A 5kr1B-4g9sB:
undetectable		 5kr1B-4g9sB:
19.66
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 4 GLY A 296
ASP A 293
GLY A 307
ILE A 308
 None
 0.66A 5kr1B-4hcyA:
undetectable		 5kr1B-4hcyA:
15.05
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.63A 5kr1B-4jyjA:
undetectable		 5kr1B-4jyjA:
17.81
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
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.63A 5kr1B-4njvA:
20.2		 5kr1B-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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.46A 5kr1B-4njvA:
20.2		 5kr1B-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 GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.54A 5kr1B-4njvA:
20.2		 5kr1B-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.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ASP A 291
ASP A 289
VAL A 288
GLY A 324
ILE A 326
 None
 1.16A 5kr1B-4o5hA:
undetectable		 5kr1B-4o5hA:
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.
4ofq PUTATIVE CELL
SURFACE PROTEIN

(Streptococcus
pyogenes) 		PF16364
(Antigen_C) 		4 GLY A1269
ALA A1270
ASP A1271
GLY A1232
 None
 0.64A 5kr1B-4ofqA:
undetectable		 5kr1B-4ofqA:
15.81
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.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		4 GLY A 381
ALA A 382
VAL A 524
GLY A 554
 None
 0.67A 5kr1B-4onyA:
undetectable		 5kr1B-4onyA:
11.35
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		4 GLY A 933
ALA A 934
GLY A 907
ILE A 906
 None
 0.55A 5kr1B-4ra7A:
undetectable		 5kr1B-4ra7A:
12.05
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.
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
 0.86A 5kr1B-4ttpA:
undetectable		 5kr1B-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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 326
ALA A  45
VAL A  82
GLY A  50
ILE A  27
 None
 1.31A 5kr1B-4u1rA:
undetectable		 5kr1B-4u1rA:
9.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uqz HSIB1
HSIE1

(Pseudomonas
aeruginosa) 		PF05591
(T6SS_VipA)
PF07024
(ImpE) 		4 ASN A  57
ASP A  88
VAL A  84
GLY B  29
 None
 0.65A 5kr1B-4uqzA:
undetectable		 5kr1B-4uqzA:
15.62
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.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		4 GLY X  40
ALA X  41
GLY X 210
ILE X 209
 None
 0.60A 5kr1B-4yahX:
undetectable		 5kr1B-4yahX:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		4 GLY A  34
ALA A  35
ASP A  36
GLY A  58
 4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.53A 5kr1B-4ydfA:
12.5		 5kr1B-4ydfA:
32.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		4 GLY A  34
ALA A  35
ASP A  36
VAL A  39
 4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
 0.39A 5kr1B-4ydfA:
12.5		 5kr1B-4ydfA:
32.48
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.
4z0t OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella ovis) 		PF00106
(adh_short) 		4 GLY A  93
ALA A  92
GLY A  20
ILE A  19
 None
BR  A 305 (-3.6A)
None
BR  A 304 (-4.5A)
 0.64A 5kr1B-4z0tA:
undetectable		 5kr1B-4z0tA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z1p CELL WALL SURFACE
ANCHOR PROTEIN

(Streptococcus
agalactiae) 		PF16364
(Antigen_C) 		4 GLY A 291
ALA A 292
ASP A 293
GLY A 254
 None
 0.67A 5kr1B-4z1pA:
undetectable		 5kr1B-4z1pA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z23 CELL WALL SURFACE
ANCHOR PROTEIN

(Streptococcus
agalactiae) 		PF16364
(Antigen_C) 		4 GLY A 291
ALA A 292
ASP A 293
GLY A 254
 None
 0.66A 5kr1B-4z23A:
undetectable		 5kr1B-4z23A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH

(Aquifex
aeolicus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		4 GLY A 492
ALA A 493
ASP A 496
ILE A 417
 None
None
ZN  A 701 (-2.2A)
None
 0.63A 5kr1B-4z8xA:
undetectable		 5kr1B-4z8xA:
12.53
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) 		6 ASN A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.56A 5kr1B-5b18A:
18.5		 5kr1B-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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		4 ASN A 125
GLY A 127
ALA A 128
VAL A 150
 None
 0.42A 5kr1B-5b7nA:
undetectable		 5kr1B-5b7nA:
17.48
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 GLY A 668
ASP A 548
VAL A 547
GLY A 645
ILE A 644
 None
 1.49A 5kr1B-5bqnA:
undetectable		 5kr1B-5bqnA:
8.88
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		4 GLY A  88
ALA A  87
GLY A  18
ILE A  17
 None
 0.65A 5kr1B-5cejA:
undetectable		 5kr1B-5cejA:
19.09
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.
5esc HUPZ

(Streptococcus
sp. 'group A') 		PF01243
(Putative_PNPOx) 		4 GLY A  60
VAL A  17
GLY A 108
ILE A 109
 None
 0.56A 5kr1B-5escA:
undetectable		 5kr1B-5escA:
25.55
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.
5ez7 FLAVOENZYME PA4991

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		4 ASN A 209
GLY A 206
ALA A 205
GLY A  18
 None
FAD  A 401 (-3.8A)
FAD  A 401 (-3.7A)
None
 0.65A 5kr1B-5ez7A:
undetectable		 5kr1B-5ez7A:
16.57
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		4 GLY A 232
ASP A 234
ASP A 236
GLY A 205
 None
 0.63A 5kr1B-5firA:
undetectable		 5kr1B-5firA:
10.21
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 217
ASP A 219
GLY A 181
ILE A 180
 None
 0.66A 5kr1B-5fokA:
undetectable		 5kr1B-5fokA:
8.50
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.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 GLY A 372
ALA A 363
VAL A 437
GLY A 566
ILE A 516
 None
 1.12A 5kr1B-5g56A:
undetectable		 5kr1B-5g56A:
8.96
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 GLY A 626
ASP A 605
GLY A 507
ILE A 509
 None
 0.66A 5kr1B-5gw7A:
undetectable		 5kr1B-5gw7A:
9.47
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 GLY A 357
ALA A 358
ASP A 359
GLY A 418
 None
 0.58A 5kr1B-5i5lA:
undetectable		 5kr1B-5i5lA:
12.15
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 GLY A 315
ALA A 316
ASP A 317
ILE A 281
 None
 0.61A 5kr1B-5j6fA:
undetectable		 5kr1B-5j6fA:
15.61
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		4 GLY A 679
ASP A 624
GLY A 596
ILE A 595
 None
 0.64A 5kr1B-5j8jA:
undetectable		 5kr1B-5j8jA:
18.33