SIMILAR PATTERNS OF AMINO ACIDS FOR 5KR2_A_ROCA101

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.
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
 1.19A 5kr2A-1ck7A:
undetectable		 5kr2A-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
 1.26A 5kr2A-1ddkA:
undetectable		 5kr2A-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.
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
 1.28A 5kr2A-1e9yB:
undetectable		 5kr2A-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 5kr2A-1ethA:
undetectable		 5kr2A-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 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
 0.94A 5kr2A-1hvcA:
13.7		 5kr2A-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 5kr2A-1hvcA:
13.7		 5kr2A-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)
 0.51A 5kr2A-1hvcA:
13.7		 5kr2A-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)
 0.51A 5kr2A-1hvcA:
13.7		 5kr2A-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 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
None
A79  A 800 ( 3.9A)
 0.71A 5kr2A-1hvcA:
13.7		 5kr2A-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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 ALA A  88
ASP A  92
ILE A  94
GLY A   4
PRO A 186
 None
 1.20A 5kr2A-1i8dA:
undetectable		 5kr2A-1i8dA:
21.46
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ALA A  94
ASP A  95
ILE A  75
ILE A  61
THR A  78
 None
 1.03A 5kr2A-1p2fA:
undetectable		 5kr2A-1p2fA:
18.06
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
 0.57A 5kr2A-1q9pA:
10.0		 5kr2A-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 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 None
 0.41A 5kr2A-1sivA:
17.9		 5kr2A-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 ALA A  28
ASP A  29
ASP A  30
GLY A  49
THR A  80
PRO A  81
 None
 0.59A 5kr2A-1sivA:
17.9		 5kr2A-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
 0.82A 5kr2A-1sivA:
17.9		 5kr2A-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
 1.06A 5kr2A-1u1hA:
undetectable		 5kr2A-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.
1u5v CITE

(Mycobacterium
tuberculosis) 		PF03328
(HpcH_HpaI) 		5 ALA A  74
ASP A  72
ASP A  76
ILE A  65
GLY A  68
 None
 1.23A 5kr2A-1u5vA:
undetectable		 5kr2A-1u5vA:
15.36
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.
1uxz CELLULASE B

(Cellvibrio
mixtus) 		PF03422
(CBM_6) 		5 ALA A  36
ASP A  35
ASP A  38
GLY A  68
THR A  71
 None
 1.16A 5kr2A-1uxzA:
undetectable		 5kr2A-1uxzA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 5kr2A-1vmiA:
undetectable		 5kr2A-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
 1.25A 5kr2A-2bvmA:
undetectable		 5kr2A-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.
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
 1.19A 5kr2A-2dfjA:
undetectable		 5kr2A-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.
2jzn MANNOSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIA COMPONENT

(Escherichia
coli) 		PF03610
(EIIA-man) 		5 ALA A  14
ASP A  35
ILE A  34
GLY A  32
ILE A   5
 None
 1.29A 5kr2A-2jznA:
undetectable		 5kr2A-2jznA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 5kr2A-2mhkA:
undetectable		 5kr2A-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)
 0.93A 5kr2A-2rkfA:
19.7		 5kr2A-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
 0.55A 5kr2A-2rkfA:
19.7		 5kr2A-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
 1.20A 5kr2A-2vl8A:
undetectable		 5kr2A-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.
2wrz L-ARABINOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00532
(Peripla_BP_1) 		5 ASP A 206
ILE A 231
GLY A 203
ILE A 140
THR A 147
 None
 1.31A 5kr2A-2wrzA:
undetectable		 5kr2A-2wrzA:
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.
2wwx DRRA

(Legionella
pneumophila) 		no annotation 5 ASN B 437
ALA B 413
ILE B 475
GLY B 470
ILE B 365
 None
 1.27A 5kr2A-2wwxB:
undetectable		 5kr2A-2wwxB:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 ASN B 178
GLY B 226
ILE B 169
THR B 245
PRO B 246
 None
 1.21A 5kr2A-2xdqB:
undetectable		 5kr2A-2xdqB:
13.61
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.
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
 1.23A 5kr2A-3akfA:
undetectable		 5kr2A-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
 0.91A 5kr2A-3aqcB:
undetectable		 5kr2A-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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ALA A 549
ASP A 511
ILE A 500
GLY A 544
PRO A 553
 None
 1.21A 5kr2A-3auoA:
undetectable		 5kr2A-3auoA:
10.05
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		5 ASN A  -1
ALA A   2
ASP A   5
ILE A  47
PRO A  57
 None
 1.24A 5kr2A-3b8bA:
undetectable		 5kr2A-3b8bA:
16.10
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.
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
 1.21A 5kr2A-3hstB:
undetectable		 5kr2A-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.
3i2d E3 SUMO-PROTEIN
LIGASE SIZ1

(Saccharomyces
cerevisiae) 		PF02891
(zf-MIZ)
PF14324
(PINIT) 		5 ASN A 291
ASP A 215
ILE A 310
GLY A 308
PRO A 282
 None
 1.11A 5kr2A-3i2dA:
undetectable		 5kr2A-3i2dA:
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.
3i2d E3 SUMO-PROTEIN
LIGASE SIZ1

(Saccharomyces
cerevisiae) 		PF02891
(zf-MIZ)
PF14324
(PINIT) 		5 ASP A 215
ILE A 310
GLY A 308
THR A 281
PRO A 282
 None
 1.26A 5kr2A-3i2dA:
undetectable		 5kr2A-3i2dA:
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.
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
 1.05A 5kr2A-3il3A:
undetectable		 5kr2A-3il3A:
16.78
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 5kr2A-3mwsA:
19.0		 5kr2A-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
ASP A  30
ILE A  47
THR A  80
PRO A  81
 None
 0.81A 5kr2A-3mwsA:
19.0		 5kr2A-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
 0.59A 5kr2A-3mwsA:
19.0		 5kr2A-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.
3n6o GUANINE NUCLEOTIDE
EXCHANGE FACTOR

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ASN A 437
ALA A 413
ILE A 475
GLY A 470
ILE A 365
 None
 1.28A 5kr2A-3n6oA:
undetectable		 5kr2A-3n6oA:
14.88
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A 359
ASP A 358
ASP A 381
ILE A 380
GLY A  58
 None
 1.06A 5kr2A-3ooqA:
undetectable		 5kr2A-3ooqA:
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.
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
 1.18A 5kr2A-3rfqA:
undetectable		 5kr2A-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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		5 ASP A 212
ASP A 213
GLY A 205
ILE A 204
THR A 288
 None
 1.25A 5kr2A-3rmgA:
undetectable		 5kr2A-3rmgA:
14.07
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.
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
 1.27A 5kr2A-3rrcA:
undetectable		 5kr2A-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)
 0.63A 5kr2A-3t3cA:
18.1		 5kr2A-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
 0.65A 5kr2A-3t3cA:
18.1		 5kr2A-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.
3tcr MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN

(Mycobacteroides
abscessus) 		PF00994
(MoCF_biosynth) 		5 ALA A 154
ASP A 157
ILE A 118
GLY A 131
PRO A 100
 None
 1.19A 5kr2A-3tcrA:
undetectable		 5kr2A-3tcrA:
20.92
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ALA A 290
ILE A 231
GLY A 246
ILE A 247
PRO A 295
 None
None
None
None
SFG  A 401 ( 4.4A)
 1.04A 5kr2A-3tm5A:
undetectable		 5kr2A-3tm5A:
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.
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
 1.13A 5kr2A-3triA:
undetectable		 5kr2A-3triA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A 245
ASP A 246
ASP A 243
THR A 205
PRO A 206
 None
None
None
NAD  A 274 (-2.8A)
NAD  A 274 (-3.9A)
 1.27A 5kr2A-3tscA:
undetectable		 5kr2A-3tscA:
18.12
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)
 0.93A 5kr2A-3ttpA:
18.7		 5kr2A-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
 0.80A 5kr2A-3ttpA:
18.7		 5kr2A-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) 		7 ALA A  28
ASP A  29
ASP A  30
ILE A  47
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 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.79A 5kr2A-3u7sA:
19.0		 5kr2A-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)
 0.48A 5kr2A-3u7sA:
19.0		 5kr2A-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)
 0.92A 5kr2A-3u7sA:
19.0		 5kr2A-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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 ASN A 633
ILE A 417
GLY A 623
ILE A 622
PRO A 553
 None
 1.18A 5kr2A-3vsvA:
undetectable		 5kr2A-3vsvA:
11.40
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.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 ASN A  82
ALA A  85
ASP A  86
ILE A  92
GLY A 152
 None
 1.28A 5kr2A-4g1uA:
undetectable		 5kr2A-4g1uA:
14.33
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.
4i4k UNCHARACTERIZED
PROTEIN SGCJ

(Streptomyces
globisporus) 		PF14534
(DUF4440) 		5 ASN A 134
ALA A 116
ILE A  82
GLY A  79
ILE A  78
 PG4  A 202 (-3.4A)
PG4  A 202 ( 3.8A)
None
PG4  A 202 ( 3.9A)
None
 1.24A 5kr2A-4i4kA:
undetectable		 5kr2A-4i4kA:
22.76
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ASN A 311
ALA A 303
ILE A 133
GLY A 244
PRO A 350
 None
 1.13A 5kr2A-4j9vA:
undetectable		 5kr2A-4j9vA:
13.57
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.
4jci PROLINE RACEMASE

(Chromohalobacter
salexigens) 		PF05544
(Pro_racemase) 		5 ALA A 294
ASP A 293
ILE A   7
ILE A  49
PRO A  15
 None
 1.21A 5kr2A-4jciA:
undetectable		 5kr2A-4jciA:
15.24
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.
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
 1.29A 5kr2A-4k3cA:
undetectable		 5kr2A-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
 1.00A 5kr2A-4kkmA:
undetectable		 5kr2A-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.
4lim DNA PRIMASE SMALL
SUBUNIT

(Saccharomyces
cerevisiae) 		PF01896
(DNA_primase_S) 		5 ASP A 314
ASP A 111
ILE A 112
ILE A 194
THR A 144
 None
 1.06A 5kr2A-4limA:
undetectable		 5kr2A-4limA:
13.65
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)
 0.78A 5kr2A-4njvA:
19.6		 5kr2A-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
ASP A  30
ILE A  50
THR A  80
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
None
 0.74A 5kr2A-4njvA:
19.6		 5kr2A-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
 0.59A 5kr2A-4njvA:
19.6		 5kr2A-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
ILE A  47
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
None
RIT  A 500 (-3.9A)
 0.58A 5kr2A-4njvA:
19.6		 5kr2A-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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 ALA A 287
ASP A 288
ILE A 312
GLY A 292
ILE A 316
 None
MLY  A 336 ( 4.8A)
MLY  A 336 ( 4.9A)
None
None
 1.29A 5kr2A-4nk6A:
undetectable		 5kr2A-4nk6A:
11.41
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 ALA A 287
ASP A 288
ILE A 312
GLY A 292
ILE A 316
 None
 1.31A 5kr2A-4ozyA:
undetectable		 5kr2A-4ozyA:
14.14
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ASN A 296
ALA A 299
ILE A 117
GLY A 194
ILE A 195
 ATP  A 501 (-3.1A)
None
None
None
None
 1.15A 5kr2A-4qdiA:
undetectable		 5kr2A-4qdiA:
13.07
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.
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
 1.19A 5kr2A-4tr6A:
undetectable		 5kr2A-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
 0.78A 5kr2A-4ttpA:
undetectable		 5kr2A-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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A  13
ILE A 231
GLY A 100
ILE A  99
THR A 203
 ZN  A1576 (-2.1A)
None
None
None
None
 0.86A 5kr2A-4upiA:
undetectable		 5kr2A-4upiA:
10.88
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.
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
 1.29A 5kr2A-4uttA:
undetectable		 5kr2A-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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ASN A  70
ALA A  67
ASP A  61
ILE A  41
GLY A  39
 None
None
NAD  A 301 (-3.9A)
NAD  A 301 (-3.8A)
None
 1.20A 5kr2A-4wecA:
undetectable		 5kr2A-4wecA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 ALA A 107
ASP A 120
ILE A 151
GLY A 163
PRO A 145
 None
 1.23A 5kr2A-4xukA:
undetectable		 5kr2A-4xukA:
15.46
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.
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
 1.18A 5kr2A-4ydqA:
undetectable		 5kr2A-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
 1.11A 5kr2A-4yryB:
undetectable		 5kr2A-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.
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
 1.31A 5kr2A-4z37A:
undetectable		 5kr2A-4z37A:
11.48
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
 0.94A 5kr2A-5b18A:
17.9		 5kr2A-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
 0.71A 5kr2A-5b18A:
17.9		 5kr2A-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
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.87A 5kr2A-5b18A:
17.9		 5kr2A-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.
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
 1.27A 5kr2A-5ce0A:
undetectable		 5kr2A-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
 1.15A 5kr2A-5dmhA:
undetectable		 5kr2A-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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		5 ASN A 197
ALA A 200
ILE A 112
GLY A 154
THR A  48
 None
 1.26A 5kr2A-5gkxA:
undetectable		 5kr2A-5gkxA:
18.97
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.
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
 1.26A 5kr2A-5gv1A:
undetectable		 5kr2A-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
 1.22A 5kr2A-5gygA:
undetectable		 5kr2A-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.
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
 1.19A 5kr2A-5jfcL:
undetectable		 5kr2A-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
 1.20A 5kr2A-5k9xA:
undetectable		 5kr2A-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
 1.21A 5kr2A-5loaA:
undetectable		 5kr2A-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 5kr2A-5t2zA:
19.1		 5kr2A-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
 0.53A 5kr2A-5t2zA:
19.1		 5kr2A-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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA A 308
ASP A 307
GLY A 300
ILE A 299
PRO A 252
 None
FAD  A 503 ( 3.6A)
None
None
None
 1.28A 5kr2A-5vj7A:
undetectable		 5kr2A-5vj7A:
15.26
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 ALA A  43
ILE A 235
GLY A 232
ILE A 588
THR A 584
 None
 0.90A 5kr2A-5wugA:
undetectable		 5kr2A-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
 1.21A 5kr2A-5x03A:
undetectable		 5kr2A-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 5kr2A-6aonA:
undetectable		 5kr2A-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.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 5 ASN A  78
ALA A 102
ASP A  76
GLY A  72
ILE A  71
 None
 1.09A 5kr2A-6gwwA:
undetectable		 5kr2A-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
 0.98A 5kr2A-6upjA:
17.4		 5kr2A-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
 1.09A 5kr2A-6upjA:
17.4		 5kr2A-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.
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 5kr2B-1d0bA:
undetectable		 5kr2B-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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 229
ILE A 240
ILE A  90
VAL A  81
ILE A 232
 None
 1.24A 5kr2B-1e5fA:
undetectable		 5kr2B-1e5fA:
12.90
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 135
ALA A 468
ILE A 437
GLY A 439
ILE A 409
 None
 1.28A 5kr2B-1fepA:
undetectable		 5kr2B-1fepA:
9.14
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.
1g29 MALTOSE TRANSPORT
PROTEIN MALK

(Thermococcus
litoralis) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 ARG 1 327
ASP 1 249
ILE 1 286
GLY 1 288
ILE 1 289
 None
 1.20A 5kr2B-1g291:
undetectable		 5kr2B-1g291:
14.79
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.
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
 1.10A 5kr2B-1h0bA:
undetectable		 5kr2B-1h0bA:
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.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		5 ARG A  98
ALA A  77
ILE A  59
PRO A 107
ILE A  79
 None
 1.07A 5kr2B-1hsjA:
undetectable		 5kr2B-1hsjA:
13.10
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 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
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)
 1.14A 5kr2B-1hvcA:
13.8		 5kr2B-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 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
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)
 1.11A 5kr2B-1hvcA:
13.8		 5kr2B-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 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.4A)
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 ( 3.9A)
 1.27A 5kr2B-1hvcA:
13.8		 5kr2B-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) 		9 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 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 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.75A 5kr2B-1hvcA:
13.8		 5kr2B-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 LEU A  23
ASP A  30
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 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.58A 5kr2B-1hvcA:
13.8		 5kr2B-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 LEU A  23
ASP A  30
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 5kr2B-1hvcA:
13.8		 5kr2B-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
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 (-3.6A)
 0.67A 5kr2B-1hvcA:
13.8		 5kr2B-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
PRO A  81
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 ( 3.9A)
A79  A 800 (-3.6A)
 0.67A 5kr2B-1hvcA:
13.8		 5kr2B-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
 0.99A 5kr2B-1hylA:
undetectable		 5kr2B-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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 ILE A 219
GLY A 386
PRO A 200
VAL A 201
ILE A 382
 None
 1.21A 5kr2B-1iirA:
undetectable		 5kr2B-1iirA:
11.65
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.
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
 0.93A 5kr2B-1lk5A:
undetectable		 5kr2B-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.
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
 1.06A 5kr2B-1lk5A:
undetectable		 5kr2B-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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ARG B 111
ALA B 178
ASP B 176
GLY B 150
ILE B  74
 BOG  B 450 (-3.6A)
MUP  B 901 (-3.3A)
None
None
None
 1.21A 5kr2B-1lpbB:
undetectable		 5kr2B-1lpbB:
11.22
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.
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
 1.09A 5kr2B-1m9sA:
undetectable		 5kr2B-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.
1nvp TRANSCRIPTION
INITIATION FACTOR
IIA BETA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA GAMMA CHAIN

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ALA D  97
GLY C 356
ILE C 357
VAL D  93
ILE D  95
 None
 1.26A 5kr2B-1nvpD:
undetectable		 5kr2B-1nvpD:
14.78
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 ARG A   8
LEU A  23
ASP A  30
PRO A  81
ILE A  84
 None
 1.04A 5kr2B-1sivA:
17.9		 5kr2B-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 LEU A  23
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.59A 5kr2B-1sivA:
17.9		 5kr2B-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 5kr2B-1tf1A:
undetectable		 5kr2B-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.
1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME

(Campylobacter
jejuni) 		PF01128
(IspD)
PF02542
(YgbB) 		5 ARG A 109
ALA A 117
ASP A 118
ILE A 173
ILE A 120
 None
 1.22A 5kr2B-1w55A:
undetectable		 5kr2B-1w55A:
16.38
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.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 LEU A 309
ALA A 367
GLY A 373
VAL A 304
ILE A 306
 None
None
TRS  A1001 (-3.3A)
None
None
 1.18A 5kr2B-1ysrA:
undetectable		 5kr2B-1ysrA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 5kr2B-2bwaA:
undetectable		 5kr2B-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
 0.91A 5kr2B-2bwsA:
undetectable		 5kr2B-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.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 LEU A 152
ASP A 108
GLY A 127
ILE A 125
ILE A 156
 None
 0.98A 5kr2B-2cjaA:
undetectable		 5kr2B-2cjaA:
12.57
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 ARG A   8
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 1.15A 5kr2B-2fmbA:
14.7		 5kr2B-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 ARG A   8
LEU A  23
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 1.10A 5kr2B-2fmbA:
14.7		 5kr2B-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 LEU A  23
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.49A 5kr2B-2fmbA:
14.7		 5kr2B-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
 1.26A 5kr2B-2izoA:
undetectable		 5kr2B-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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 LEU A 160
ALA A 136
GLY A 172
ILE A 171
PRO A 208
 None
None
SPD  A 304 ( 4.2A)
None
None
 1.21A 5kr2B-2p18A:
undetectable		 5kr2B-2p18A:
14.14
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.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		5 ALA A 151
ASP A  11
GLY A  24
ILE A 115
ILE A 149
 None
ZN  A 500 (-2.3A)
None
None
None
 1.03A 5kr2B-2pmpA:
undetectable		 5kr2B-2pmpA:
23.18
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.
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
 0.99A 5kr2B-2qlpA:
undetectable		 5kr2B-2qlpA:
22.30
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 LEU A  23
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.57A 5kr2B-2rkfA:
20.3		 5kr2B-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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A  21
LEU A  99
ALA A 135
GLY A 402
ILE A  96
 None
None
None
FAD  A 601 ( 3.2A)
None
 1.28A 5kr2B-2wu5A:
undetectable		 5kr2B-2wu5A:
10.34
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 LEU A 140
ALA A 158
ASP A 136
GLY A 128
ILE A 138
 None
 1.04A 5kr2B-2x5fA:
undetectable		 5kr2B-2x5fA:
16.82
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 ASN A   3
ALA A  32
ILE A 280
PRO A 271
ILE A   4
 None
 1.04A 5kr2B-2yb4A:
undetectable		 5kr2B-2yb4A:
16.84
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.
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
 0.93A 5kr2B-2zj8A:
undetectable		 5kr2B-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.
2zl3 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Helicobacter
pylori) 		PF00574
(CLP_protease) 		5 ARG A 113
ALA A  99
ILE A  72
GLY A  75
ILE A  78
 None
 1.16A 5kr2B-2zl3A:
undetectable		 5kr2B-2zl3A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 5kr2B-3b7mA:
undetectable		 5kr2B-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.
3cwx PROTEIN CAGD

(Helicobacter
pylori) 		PF16567
(CagD) 		5 LEU A 142
ASP A  72
ILE A  99
VAL A  66
ILE A  70
 None
 1.24A 5kr2B-3cwxA:
undetectable		 5kr2B-3cwxA:
20.93
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.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 LEU C  47
ILE C  87
GLY C  85
ILE C  84
ILE C  48
 None
 1.29A 5kr2B-3dhwC:
undetectable		 5kr2B-3dhwC:
16.45
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 LEU A  46
ALA A  11
ILE A  32
ILE A  54
ILE A   8
 None
 1.24A 5kr2B-3g77A:
undetectable		 5kr2B-3g77A:
15.28
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.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A 123
 None
 1.15A 5kr2B-3hdfA:
undetectable		 5kr2B-3hdfA:
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.
3hja GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A 313
ALA A 310
ILE A 171
GLY A 174
ILE A 312
 None
 1.02A 5kr2B-3hjaA:
undetectable		 5kr2B-3hjaA:
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.
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
 0.89A 5kr2B-3i0mA:
undetectable		 5kr2B-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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LEU A 156
ALA A 132
ASP A 120
ILE A  77
ILE A 130
 None
 0.84A 5kr2B-3kl7A:
undetectable		 5kr2B-3kl7A:
16.52
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.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ARG A  22
GLY A 226
ILE A 224
PRO A 300
ILE A 302
 None
 0.88A 5kr2B-3l5aA:
undetectable		 5kr2B-3l5aA:
13.94
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
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.70A 5kr2B-3mwsA:
19.2		 5kr2B-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 ARG A   8
LEU A  23
ASP A  30
PRO A  81
VAL A  82
 None
 1.10A 5kr2B-3mwsA:
19.2		 5kr2B-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 LEU A  23
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 0.55A 5kr2B-3mwsA:
19.2		 5kr2B-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 LEU A  23
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.57A 5kr2B-3mwsA:
19.2		 5kr2B-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 LEU A  23
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.51A 5kr2B-3mwsA:
19.2		 5kr2B-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.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 LEU A 911
ILE A1053
GLY A 971
ILE A 970
ILE A1050
 None
 1.21A 5kr2B-3n7kA:
undetectable		 5kr2B-3n7kA:
11.76
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.
3ohg UNCHARACTERIZED
PROTEIN FROM DUF2233
FAMILY

(Bacteroides
ovatus) 		PF09992
(NAGPA) 		5 LEU A  85
ALA A  81
ILE A 279
GLY A 128
ILE A  83
 None
 1.12A 5kr2B-3ohgA:
undetectable		 5kr2B-3ohgA:
18.56
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 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.66A 5kr2B-3t3cA:
18.5		 5kr2B-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
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.53A 5kr2B-3t3cA:
18.5		 5kr2B-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
 0.91A 5kr2B-3tfwA:
undetectable		 5kr2B-3tfwA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqv NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Francisella
tularensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 138
ALA A 260
ILE A 232
VAL A 269
ILE A 267
 None
 1.26A 5kr2B-3tqvA:
undetectable		 5kr2B-3tqvA:
17.67
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 ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.80A 5kr2B-3ttpA:
19.2		 5kr2B-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 ARG A   8
LEU A  23
ASP A  30
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-4.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.01A 5kr2B-3ttpA:
19.2		 5kr2B-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 LEU A  23
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.60A 5kr2B-3ttpA:
19.2		 5kr2B-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
ASP A  30
ILE A  47
PRO A  81
 None
None
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
 1.04A 5kr2B-3u7sA:
19.9		 5kr2B-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 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.75A 5kr2B-3u7sA:
19.9		 5kr2B-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 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.53A 5kr2B-3u7sA:
19.9		 5kr2B-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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Rattus
norvegicus) 		PF05028
(PARG_cat) 		5 LEU A 714
ALA A 860
GLY A 726
ILE A 722
VAL A 716
 None
None
None
A1R  A1001 (-4.2A)
None
 1.15A 5kr2B-3uelA:
undetectable		 5kr2B-3uelA:
9.69
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 GLY A 116
ILE A 164
PRO A 123
VAL A 124
ILE A 121
 None
 1.27A 5kr2B-3wajA:
undetectable		 5kr2B-3wajA:
8.00
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A  28
GLY A 100
ILE A 101
VAL A 248
ILE A 258
 None
 1.23A 5kr2B-4e1jA:
undetectable		 5kr2B-4e1jA:
11.18
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.
4fc2 POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Mus musculus) 		PF05028
(PARG_cat) 		5 LEU A 711
ALA A 857
GLY A 723
ILE A 719
VAL A 713
 None
 1.12A 5kr2B-4fc2A:
undetectable		 5kr2B-4fc2A:
11.05
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 LEU A 222
ALA A 271
ILE A 289
PRO A 261
ILE A 244
 None
 1.20A 5kr2B-4fdwA:
undetectable		 5kr2B-4fdwA:
14.54
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.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 ARG A 100
ALA A  79
ILE A  61
PRO A 109
ILE A  81
 None
 1.05A 5kr2B-4logA:
undetectable		 5kr2B-4logA:
14.14
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.
4mgx FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A 656
ILE A 608
GLY A 610
VAL A 586
ILE A 658
 None
 1.17A 5kr2B-4mgxA:
undetectable		 5kr2B-4mgxA:
19.46
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 ALA A  13
GLY A 129
ILE A 217
PRO A 113
VAL A 108
 None
 1.12A 5kr2B-4n81A:
undetectable		 5kr2B-4n81A:
16.88
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
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.06A 5kr2B-4njvA:
20.3		 5kr2B-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) 		7 LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-3.6A)
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)
 0.85A 5kr2B-4njvA:
20.3		 5kr2B-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.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 ARG A  99
ALA A  78
ILE A  60
PRO A 108
ILE A  80
 None
 1.24A 5kr2B-4pqkA:
undetectable		 5kr2B-4pqkA:
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.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		5 LEU A 105
ASP A  86
GLY A  39
ILE A  96
VAL A 109
 None
 1.04A 5kr2B-4ry9A:
undetectable		 5kr2B-4ry9A:
15.90
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.
4u65 TWO COMPONENT
HISTIDINE KINASE,
GGDEF DOMAIN
PROTEIN/EAL DOMAIN
PROTEIN

(Legionella
pneumophila) 		PF16448
(LapD_MoxY_N) 		5 LEU A  53
ASN A  59
GLY A  88
VAL A 132
ILE A 122
 None
 1.27A 5kr2B-4u65A:
undetectable		 5kr2B-4u65A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ARG A 246
LEU A 241
ILE A 264
GLY A 267
VAL A 249
 None
 1.29A 5kr2B-4yv7A:
undetectable		 5kr2B-4yv7A:
16.28
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 LEU A 263
ALA A  93
ILE A 308
ILE A 378
ILE A 315
 None
 1.26A 5kr2B-4zh7A:
undetectable		 5kr2B-4zh7A:
11.29
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.
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
 1.12A 5kr2B-5d01A:
undetectable		 5kr2B-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.
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
 0.96A 5kr2B-5dtbA:
undetectable		 5kr2B-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.
5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ALA D  97
GLY C 356
ILE C 357
VAL D  93
ILE D  95
 None
 1.25A 5kr2B-5furD:
undetectable		 5kr2B-5furD:
16.82
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ASP A1507
GLY A1541
ILE A1556
VAL A1428
ILE A1430
 None
 1.20A 5kr2B-5m59A:
undetectable		 5kr2B-5m59A:
4.67
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 ARG A 526
ALA A 403
GLY A 397
ILE A 301
VAL A 365
 None
 0.95A 5kr2B-5mu5A:
undetectable		 5kr2B-5mu5A:
9.91
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 LEU A  32
ALA A 272
ASP A 535
ILE A 533
VAL A   6
 None
FAD  A 602 (-3.4A)
FAD  A 602 (-4.7A)
None
None
 1.28A 5kr2B-5oc1A:
undetectable		 5kr2B-5oc1A:
12.33
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.
5ore OCTOPINE-BINDING
PERIPLASMIC PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 LEU A  45
ALA A  53
ILE A  25
ILE A  86
ILE A  66
 None
 1.08A 5kr2B-5oreA:
undetectable		 5kr2B-5oreA:
25.00
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) 		6 ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.76A 5kr2B-5t2zA:
19.7		 5kr2B-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 ARG A   8
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  84
 None
 1.06A 5kr2B-5t2zA:
19.7		 5kr2B-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 ARG A   8
LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  84
 None
 0.94A 5kr2B-5t2zA:
19.7		 5kr2B-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) 		7 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.63A 5kr2B-5t2zA:
19.7		 5kr2B-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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 LEU A 290
ALA A 322
ILE A 283
ILE A 273
ILE A 320
 None
 1.30A 5kr2B-5yt0A:
undetectable		 5kr2B-5yt0A:
19.63
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 5 ARG A 318
LEU A 305
ASN A 302
ALA A 300
ILE A  53
 None
 1.10A 5kr2B-6b0kA:
undetectable		 5kr2B-6b0kA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 5 LEU A 331
ALA A 170
GLY A 166
ILE A 190
VAL A 416
 None
 1.13A 5kr2B-6bogA:
undetectable		 5kr2B-6bogA:
19.44
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.
6c5w CALCIUM UNIPORTER

(Metarhizium
acridum) 		no annotation 5 LEU A 104
ALA A 243
ASP A 242
GLY A 214
ILE A 240
 None
 1.28A 5kr2B-6c5wA:
undetectable		 5kr2B-6c5wA:
19.57
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  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.81A 5kr2B-6upjA:
18.0		 5kr2B-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 LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.72A 5kr2B-6upjA:
18.0		 5kr2B-6upjA:
47.47