SIMILAR PATTERNS OF AMINO ACIDS FOR 5KR2_A_ROCA101_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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