SIMILAR PATTERNS OF AMINO ACIDS FOR 2Z54_A_AB1A200

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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ALA A  40
ASP A  41
GLY A  89
VAL A   5
ILE A  31
 None
NAD  A 800 (-3.3A)
None
None
None
 1.08A 2z54A-1fk8A:
undetectable		 2z54A-1fk8A:
17.12
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
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.74A 2z54A-1hvcA:
14.1		 2z54A-1hvcA:
97.98
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
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.70A 2z54A-1hvcA:
14.1		 2z54A-1hvcA:
97.98
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.46A 2z54A-1hvcA:
14.1		 2z54A-1hvcA:
97.98
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.37A 2z54A-1hvcA:
14.1		 2z54A-1hvcA:
97.98
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.
1j9l STATIONARY PHASE
SURVIVAL PROTEIN

(Thermotoga
maritima) 		PF01975
(SurE) 		5 GLY A 138
ALA A 139
GLY A  15
VAL A  91
ILE A 126
 None
 1.02A 2z54A-1j9lA:
undetectable		 2z54A-1j9lA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.90A 2z54A-1kaeA:
undetectable		 2z54A-1kaeA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.84A 2z54A-1lk5A:
undetectable		 2z54A-1lk5A:
18.33
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
TAD  A 901 (-2.3A)
None
None
None
 0.89A 2z54A-1lrtA:
undetectable		 2z54A-1lrtA:
15.22
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
NAD  A 987 (-2.5A)
None
None
None
 0.81A 2z54A-1mewA:
undetectable		 2z54A-1mewA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 1.01A 2z54A-1naaA:
undetectable		 2z54A-1naaA:
11.31
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  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.72A 2z54A-1q9pA:
10.0		 2z54A-1q9pA:
92.63
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
 0.54A 2z54A-1q9pA:
10.0		 2z54A-1q9pA:
92.63
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.49A 2z54A-1sivA:
18.4		 2z54A-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 GLY A 307
ALA A 308
ASP A 309
VAL A 269
ILE A 303
 None
 0.83A 2z54A-1tjrA:
undetectable		 2z54A-1tjrA:
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.66A 2z54A-1to3A:
undetectable		 2z54A-1to3A:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.92A 2z54A-1uwwA:
undetectable		 2z54A-1uwwA:
21.65
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.88A 2z54A-1v5fA:
undetectable		 2z54A-1v5fA:
10.45
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.
1v5j KIAA1355 PROTEIN

(Homo sapiens) 		PF00041
(fn3) 		5 GLY A  85
ALA A  84
VAL A  33
GLY A  60
PRO A  11
 None
 0.97A 2z54A-1v5jA:
undetectable		 2z54A-1v5jA:
21.93
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.97A 2z54A-1w3fA:
undetectable		 2z54A-1w3fA:
16.34
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 123
ALA A 124
GLY A 235
ILE A 119
ILE A 207
 None
 0.87A 2z54A-1xtzA:
undetectable		 2z54A-1xtzA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yg0 COP ASSOCIATED
PROTEIN

(Helicobacter
pylori) 		PF00403
(HMA) 		5 GLY A  62
ALA A  61
ASP A  60
VAL A  23
ILE A  19
 None
 0.98A 2z54A-1yg0A:
undetectable		 2z54A-1yg0A:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 538
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.07A 2z54A-1yr2A:
undetectable		 2z54A-1yr2A:
8.20
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 539
ALA A 538
ASP A 537
GLY A 529
PRO A 475
 None
 1.07A 2z54A-1yr2A:
undetectable		 2z54A-1yr2A:
8.20
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.
1zno HYPOTHETICAL UPF0244
PROTEIN VC0702

(Vibrio cholerae) 		PF01931
(NTPase_I-T) 		5 ARG A  74
GLY A  77
ALA A  78
VAL A  44
ILE A  14
 None
 0.82A 2z54A-1znoA:
undetectable		 2z54A-1znoA:
19.54
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.68A 2z54A-2bc0A:
undetectable		 2z54A-2bc0A:
12.66
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.49A 2z54A-2fmbA:
15.1		 2z54A-2fmbA:
30.77
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.82A 2z54A-2isqA:
undetectable		 2z54A-2isqA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 234
ALA A 233
GLY A  48
ILE A  49
VAL A 302
 None
 0.90A 2z54A-2iwzA:
undetectable		 2z54A-2iwzA:
14.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.57A 2z54A-2rkfA:
21.1		 2z54A-2rkfA:
87.88
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.30A 2z54A-2rkfA:
21.1		 2z54A-2rkfA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 0.93A 2z54A-2rspA:
12.9		 2z54A-2rspA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.39A 2z54A-2rspA:
12.9		 2z54A-2rspA:
30.65
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		5 GLY A 442
ALA A 441
GLY A 461
PRO A  42
ILE A 197
 None
 1.03A 2z54A-2w45A:
undetectable		 2z54A-2w45A:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2i PEPTIDYL-TRNA
HYDROLASE

(Mycobacterium
tuberculosis) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A  47
ALA A  48
VAL A   8
GLY A  77
VAL A  61
 None
 0.94A 2z54A-2z2iA:
undetectable		 2z54A-2z2iA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 GLY A 243
ALA A 242
ASP A 214
ILE A 105
VAL A 268
 None
None
PMP  A 409 (-2.7A)
None
None
 1.00A 2z54A-2zc0A:
undetectable		 2z54A-2zc0A:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A 117
ALA A 116
ASP A 115
GLY A  67
ILE A 306
 NAD  A1001 (-3.6A)
None
None
None
None
 0.97A 2z54A-3abiA:
undetectable		 2z54A-3abiA:
14.57
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.
3b1s FLAGELLAR
BIOSYNTHETIC PROTEIN
FLHB

(Aquifex
aeolicus) 		PF01312
(Bac_export_2) 		5 ALA B 270
VAL B 322
GLY B 287
ILE B 267
VAL B 320
 None
 0.99A 2z54A-3b1sB:
undetectable		 2z54A-3b1sB:
21.05
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 ASP A  51
GLY A  53
GLY A 145
ILE A 144
ILE A  59
 None
NHE  A 195 (-3.2A)
None
NHE  A 195 ( 4.5A)
None
 1.05A 2z54A-3cggA:
undetectable		 2z54A-3cggA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.94A 2z54A-3dbgA:
undetectable		 2z54A-3dbgA:
11.56
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 GLY A  39
ASP A   8
GLY A 147
PRO A 105
ILE A  22
 None
 1.07A 2z54A-3f6mA:
undetectable		 2z54A-3f6mA:
21.89
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.76A 2z54A-3gveA:
undetectable		 2z54A-3gveA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.99A 2z54A-3hdfA:
undetectable		 2z54A-3hdfA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.85A 2z54A-3hdyA:
undetectable		 2z54A-3hdyA:
11.84
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.93A 2z54A-3i5gA:
undetectable		 2z54A-3i5gA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.81A 2z54A-3i5gA:
undetectable		 2z54A-3i5gA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 GLY A  50
ALA A  51
VAL A  56
VAL A 152
ILE A  53
 None
 1.06A 2z54A-3l2zA:
undetectable		 2z54A-3l2zA:
18.29
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
ASP A 207
VAL A 175
ILE A  93
ILE A 205
 None
 0.96A 2z54A-3lunA:
undetectable		 2z54A-3lunA:
20.40
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
VAL A  32
GLY A  48
PRO A  81
 None
 0.81A 2z54A-3mwsA:
20.0		 2z54A-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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
VAL A  82
ILE A  84
 None
 0.53A 2z54A-3mwsA:
20.0		 2z54A-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) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.49A 2z54A-3mwsA:
20.0		 2z54A-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ASP A 226
ILE A 192
VAL A 207
 PO4  A 767 ( 4.6A)
None
None
None
None
 1.04A 2z54A-3o8lA:
undetectable		 2z54A-3o8lA:
9.39
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLY A 414
ALA A 415
ASP A 416
VAL A 397
ILE A 452
 None
 0.93A 2z54A-3o8oA:
undetectable		 2z54A-3o8oA:
8.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.79A 2z54A-3opyA:
undetectable		 2z54A-3opyA:
8.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 ASP A 103
GLY A  99
ALA A  98
VAL A 124
GLY A 137
 CA  A 403 ( 2.4A)
CA  A 403 (-4.1A)
CA  A 404 (-4.5A)
None
CA  A 405 (-4.1A)
 1.01A 2z54A-3p4gA:
undetectable		 2z54A-3p4gA:
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		5 GLY A 208
ALA A 207
ILE A 201
PRO A 362
VAL A 285
 None
 1.05A 2z54A-3pgyA:
undetectable		 2z54A-3pgyA:
12.53
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.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.07A 2z54A-3rcmA:
undetectable		 2z54A-3rcmA:
19.19
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.58A 2z54A-3slzA:
11.1		 2z54A-3slzA:
28.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.58A 2z54A-3slzA:
11.1		 2z54A-3slzA:
28.99
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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.56A 2z54A-3t3cA:
18.7		 2z54A-3t3cA:
77.78
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.40A 2z54A-3t3cA:
18.7		 2z54A-3t3cA:
77.78
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.55A 2z54A-3t3cA:
18.7		 2z54A-3t3cA:
77.78
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
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)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.44A 2z54A-3ttpA:
19.8		 2z54A-3ttpA:
79.80
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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.50A 2z54A-3u7sA:
19.9		 2z54A-3u7sA:
78.79
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.40A 2z54A-3u7sA:
19.9		 2z54A-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.54A 2z54A-3uhlA:
16.2		 2z54A-3uhlA:
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 GLY A  58
ASP A  52
VAL A  51
GLY A 106
ILE A  54
 None
 1.04A 2z54A-3wn6A:
undetectable		 2z54A-3wn6A:
13.88
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.81A 2z54A-4ao7A:
undetectable		 2z54A-4ao7A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
VAL A   9
ILE A  36
 None
 0.87A 2z54A-4b2oA:
undetectable		 2z54A-4b2oA:
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.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		5 ASP A  83
ALA A  86
ASP A  89
GLY A 312
VAL A 317
 None
 1.06A 2z54A-4dppA:
undetectable		 2z54A-4dppA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY H 667
ALA H 619
GLY H 651
VAL H 588
ILE H 590
 None
 1.05A 2z54A-4fxgH:
undetectable		 2z54A-4fxgH:
17.72
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.94A 2z54A-4k5uB:
undetectable		 2z54A-4k5uB:
17.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.64A 2z54A-4njvA:
20.5		 2z54A-4njvA:
87.88
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 2z54A-4njvA:
20.5		 2z54A-4njvA:
87.88
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 2z54A-4njvA:
20.5		 2z54A-4njvA:
87.88
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.
4r1u CINNAMOYL COA
REDUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 GLY A  97
ASP A  59
GLY A   8
VAL A  70
ILE A  66
 None
 0.87A 2z54A-4r1uA:
undetectable		 2z54A-4r1uA:
13.79
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 GLY A 196
ALA A 190
ILE A 223
VAL A 214
ILE A 156
 None
None
GOL  A 401 ( 4.2A)
None
None
 0.99A 2z54A-4rweA:
undetectable		 2z54A-4rweA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 233
ALA A 234
ASP A 235
VAL A 216
ILE A 270
 PO4  A 802 (-4.0A)
None
PO4  A 802 ( 4.6A)
None
None
 0.90A 2z54A-4u1rA:
undetectable		 2z54A-4u1rA:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 GLY A 396
ALA A  93
VAL A  78
PRO A 332
VAL A 331
 None
 0.93A 2z54A-4us4A:
undetectable		 2z54A-4us4A:
12.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.38A 2z54A-4ydfA:
12.9		 2z54A-4ydfA:
31.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-4.8A)
 0.35A 2z54A-4ydfA:
12.9		 2z54A-4ydfA:
31.30
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.
4zox RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 419
ALA A 418
GLY A  84
VAL A  80
ILE A  71
 None
 1.10A 2z54A-4zoxA:
undetectable		 2z54A-4zoxA:
13.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
 0.13A 2z54A-5b18A:
18.0		 2z54A-5b18A:
77.78
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 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.63A 2z54A-5b18A:
18.0		 2z54A-5b18A:
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.
5fmg PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ASP H 157
VAL H  12
ILE H  37
VAL H 231
ILE H 233
 None
 0.86A 2z54A-5fmgH:
undetectable		 2z54A-5fmgH:
14.00
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.88A 2z54A-5g5gA:
undetectable		 2z54A-5g5gA:
23.78
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 ASP A 232
ASP A  85
GLY A 174
VAL A 178
ILE A 131
 None
 1.01A 2z54A-5ilgA:
undetectable		 2z54A-5ilgA:
17.65
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.
5j1k TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 230
ALA A 180
VAL A 186
GLY A 234
ILE A 227
 None
 1.00A 2z54A-5j1kA:
undetectable		 2z54A-5j1kA:
21.62
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.41A 2z54A-5t2zA:
20.2		 2z54A-5t2zA:
80.81
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		5 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.02A 2z54A-5u1wA:
undetectable		 2z54A-5u1wA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 250
VAL A 265
GLY A 143
VAL A 136
ILE A 255
 None
 1.02A 2z54A-5uibA:
undetectable		 2z54A-5uibA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.76A 2z54A-5ve3B:
undetectable		 2z54A-5ve3B:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 5 GLY A 399
ALA A 400
ASP A 401
ILE A 373
ILE A 378
 None
 0.98A 2z54A-5xj1A:
undetectable		 2z54A-5xj1A:
13.72
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ASP A 183
GLY A 193
VAL A 181
PRO A 128
VAL A 126
 None
 1.05A 2z54A-5z73A:
undetectable		 2z54A-5z73A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cy1 SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 306
VAL A 266
GLY A 276
VAL A 294
ILE A 292
 None
 0.92A 2z54A-6cy1A:
undetectable		 2z54A-6cy1A:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.21A 2z54A-6fivA:
15.4		 2z54A-6fivA:
27.43
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) 		7 ARG A   8
ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
None
 0.63A 2z54A-6upjA:
17.9		 2z54A-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) 		7 ARG A   8
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.73A 2z54A-6upjA:
17.9		 2z54A-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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
None
 0.61A 2z54A-6upjA:
17.9		 2z54A-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) 		7 GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.76A 2z54A-6upjA:
17.9		 2z54A-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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		6 ASP A 215
GLY A 217
ASP A 303
VAL A 222
VAL A 291
ILE A 300
 None
 1.21A 2z54B-1am5A:
7.8		 2z54B-1am5A:
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.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		5 GLY A 248
ALA A 247
ASP A 246
ILE A 127
ILE A 186
 None
 0.93A 2z54B-1bsgA:
undetectable		 2z54B-1bsgA:
18.92
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.85A 2z54B-1cziE:
6.8		 2z54B-1cziE:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		6 GLY A  40
ALA A  39
ASP A  38
VAL A 324
ILE A  44
ILE A 328
 None
 1.02A 2z54B-1fobA:
undetectable		 2z54B-1fobA:
14.20
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 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 1.36A 2z54B-1hvcA:
14.1		 2z54B-1hvcA:
97.98
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 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.79A 2z54B-1hvcA:
14.1		 2z54B-1hvcA:
97.98
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 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.88A 2z54B-1hvcA:
14.1		 2z54B-1hvcA:
97.98
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.53A 2z54B-1hvcA:
14.1		 2z54B-1hvcA:
97.98
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.43A 2z54B-1hvcA:
14.1		 2z54B-1hvcA:
97.98
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.88A 2z54B-1kaeA:
undetectable		 2z54B-1kaeA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 GLY A 221
ALA A 222
ASP A 277
GLY A 197
ILE A 284
 None
 0.89A 2z54B-1l8wA:
undetectable		 2z54B-1l8wA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.94A 2z54B-1lk5A:
undetectable		 2z54B-1lk5A:
18.33
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
NAD  A 987 (-2.5A)
None
None
None
 0.86A 2z54B-1mewA:
undetectable		 2z54B-1mewA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 ARG Q 338
ALA Q 356
GLY Q 109
ILE Q 108
ILE Q 195
 None
 0.78A 2z54B-1oh2Q:
undetectable		 2z54B-1oh2Q:
13.32
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.81A 2z54B-1q9pA:
10.0		 2z54B-1q9pA:
92.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.35A 2z54B-1sivA:
18.4		 2z54B-1sivA:
49.49
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.56A 2z54B-1sivA:
18.4		 2z54B-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.83A 2z54B-1sivA:
18.4		 2z54B-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		6 GLY A 780
ALA A 779
VAL A 805
GLY A 722
ILE A 792
ILE A 765
 None
 1.33A 2z54B-1suuA:
undetectable		 2z54B-1suuA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.68A 2z54B-1to3A:
undetectable		 2z54B-1to3A:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.52A 2z54B-1usyC:
undetectable		 2z54B-1usyC:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.90A 2z54B-1uwwA:
undetectable		 2z54B-1uwwA:
21.65
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.92A 2z54B-1v5fA:
undetectable		 2z54B-1v5fA:
10.45
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 GLY A 416
ALA A 417
ASP A 418
ILE A 346
VAL A 360
 None
 0.82A 2z54B-1vrgA:
undetectable		 2z54B-1vrgA:
13.47
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 539
ALA A 538
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.08A 2z54B-1yr2A:
undetectable		 2z54B-1yr2A:
8.20
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.
1zno HYPOTHETICAL UPF0244
PROTEIN VC0702

(Vibrio cholerae) 		PF01931
(NTPase_I-T) 		5 ARG A  74
GLY A  77
ALA A  78
VAL A  44
ILE A  14
 None
 0.83A 2z54B-1znoA:
undetectable		 2z54B-1znoA:
19.54
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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		5 ARG B 286
ASP B 320
VAL B 323
GLY B 282
ILE B 276
 None
 0.90A 2z54B-1zunB:
undetectable		 2z54B-1zunB:
13.22
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.65A 2z54B-2bc0A:
undetectable		 2z54B-2bc0A:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 497
ALA A 496
ASP A 495
GLY A 487
PRO A 431
VAL A 430
 None
 1.09A 2z54B-2bklA:
undetectable		 2z54B-2bklA:
9.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.78A 2z54B-2fmbA:
15.1		 2z54B-2fmbA:
30.77
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.47A 2z54B-2fmbA:
15.1		 2z54B-2fmbA:
30.77
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.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		5 GLY A 115
ASP A  97
GLY A 118
ILE A 125
ILE A  99
 None
TRS  A 301 (-2.8A)
None
None
None
 0.93A 2z54B-2g4rA:
undetectable		 2z54B-2g4rA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		6 GLY A 285
ALA A 284
ASP A 236
GLY A 184
ILE A 183
VAL A 261
 LLP  A  58 ( 4.8A)
LLP  A  58 ( 3.4A)
None
LLP  A  58 ( 3.5A)
None
None
 1.46A 2z54B-2gn1A:
undetectable		 2z54B-2gn1A:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.91A 2z54B-2h00A:
undetectable		 2z54B-2h00A:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.77A 2z54B-2isqA:
undetectable		 2z54B-2isqA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 234
ALA A 233
GLY A  48
ILE A  49
VAL A 302
 None
 0.93A 2z54B-2iwzA:
undetectable		 2z54B-2iwzA:
14.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.82A 2z54B-2rkfA:
21.1		 2z54B-2rkfA:
87.88
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.54A 2z54B-2rkfA:
21.1		 2z54B-2rkfA:
87.88
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.35A 2z54B-2rkfA:
21.1		 2z54B-2rkfA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.87A 2z54B-2rspA:
12.9		 2z54B-2rspA:
30.65
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.87A 2z54B-2y23A:
undetectable		 2z54B-2y23A:
16.73
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.79A 2z54B-3aqpA:
undetectable		 2z54B-3aqpA:
10.09
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.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		6 ASP A  45
VAL A  51
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
None
 1.07A 2z54B-3c26A:
undetectable		 2z54B-3c26A:
18.42
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.93A 2z54B-3dbgA:
undetectable		 2z54B-3dbgA:
11.56
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ALA A 167
VAL A  99
GLY A 186
VAL A  94
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.90A 2z54B-3g7rA:
undetectable		 2z54B-3g7rA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.88A 2z54B-3g7rA:
undetectable		 2z54B-3g7rA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.75A 2z54B-3gveA:
undetectable		 2z54B-3gveA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.93A 2z54B-3hdyA:
undetectable		 2z54B-3hdyA:
11.84
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.79A 2z54B-3i5gA:
undetectable		 2z54B-3i5gA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		6 ALA A 209
ASP A 207
VAL A 175
ILE A  93
VAL A 203
ILE A 205
 None
 1.10A 2z54B-3lunA:
undetectable		 2z54B-3lunA:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.36A 2z54B-3mwsA:
20.0		 2z54B-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) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.55A 2z54B-3mwsA:
20.0		 2z54B-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) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.53A 2z54B-3mwsA:
20.0		 2z54B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 0.80A 2z54B-3mwsA:
20.0		 2z54B-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		6 GLY A 224
ALA A 225
ASP A 226
ILE A 192
VAL A 207
ILE A 261
 PO4  A 767 ( 4.6A)
None
None
None
None
None
 1.09A 2z54B-3o8lA:
undetectable		 2z54B-3o8lA:
9.39
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		6 GLY A 414
ALA A 415
ASP A 416
ILE A 382
VAL A 397
ILE A 452
 None
 1.18A 2z54B-3o8oA:
undetectable		 2z54B-3o8oA:
8.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		6 GLY A 419
ALA A 420
ASP A 421
ILE A 387
VAL A 402
ILE A 457
 None
 1.07A 2z54B-3opyA:
undetectable		 2z54B-3opyA:
8.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  48
ALA A 104
GLY A 275
ILE A 276
ILE A 105
 None
 0.92A 2z54B-3r11A:
undetectable		 2z54B-3r11A:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s8m ENOYL-ACP REDUCTASE

(Xanthomonas
oryzae) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A 213
ALA A 212
ILE A 206
VAL A 121
ILE A 122
 None
 0.89A 2z54B-3s8mA:
undetectable		 2z54B-3s8mA:
12.84
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.61A 2z54B-3slzA:
11.1		 2z54B-3slzA:
28.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.54A 2z54B-3slzA:
11.1		 2z54B-3slzA:
28.99
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.57A 2z54B-3t3cA:
18.8		 2z54B-3t3cA:
77.78
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.73A 2z54B-3t3cA:
18.8		 2z54B-3t3cA:
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.
3tsv TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A 440
VAL A 511
ILE A 467
VAL A 506
ILE A 510
 None
 0.92A 2z54B-3tsvA:
undetectable		 2z54B-3tsvA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 1.42A 2z54B-3ttpA:
19.8		 2z54B-3ttpA:
79.80
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
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)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.53A 2z54B-3ttpA:
19.8		 2z54B-3ttpA:
79.80
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.51A 2z54B-3u7sA:
19.9		 2z54B-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.54A 2z54B-3uhlA:
16.2		 2z54B-3uhlA:
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.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		6 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.23A 2z54B-3up8A:
undetectable		 2z54B-3up8A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLY A  50
ALA A  51
ILE A  14
VAL A  60
ILE A   5
 None
 0.86A 2z54B-3vglA:
undetectable		 2z54B-3vglA:
17.53
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.84A 2z54B-4ao7A:
undetectable		 2z54B-4ao7A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.82A 2z54B-4c3yA:
undetectable		 2z54B-4c3yA:
13.02
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		6 ARG A 317
ALA B 225
ASP B 224
GLY B 271
VAL A 325
ILE B 226
 None
 1.18A 2z54B-4cakA:
undetectable		 2z54B-4cakA:
7.40
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.
4g6c BETA-HEXOSAMINIDASE
1

(Burkholderia
cenocepacia) 		PF00933
(Glyco_hydro_3) 		5 ASP A 128
GLY A 174
VAL A 136
ILE A 215
ILE A 137
 None
 0.92A 2z54B-4g6cA:
undetectable		 2z54B-4g6cA:
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		6 GLY A  11
ALA A  50
ASP A  49
VAL A 435
VAL A 399
ILE A 401
 None
 1.29A 2z54B-4gz7A:
undetectable		 2z54B-4gz7A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		6 GLY A  12
ALA A  50
ASP A  49
VAL A 435
VAL A 399
ILE A 401
 None
 1.42A 2z54B-4gz7A:
undetectable		 2z54B-4gz7A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.85A 2z54B-4jyjA:
undetectable		 2z54B-4jyjA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.84A 2z54B-4k5uB:
undetectable		 2z54B-4k5uB:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.91A 2z54B-4kt1A:
undetectable		 2z54B-4kt1A:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 ALA A  74
ASP A  94
VAL A 120
ILE A  33
ILE A  92
 None
SAH  A 301 (-2.9A)
None
None
None
 0.93A 2z54B-4lecA:
undetectable		 2z54B-4lecA:
19.77
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.75A 2z54B-4njvA:
20.6		 2z54B-4njvA:
87.88
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2z54B-4njvA:
20.6		 2z54B-4njvA:
87.88
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2z54B-4njvA:
20.6		 2z54B-4njvA:
87.88
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.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		6 ALA A 194
ASP A 144
VAL A 182
GLY A 147
ILE A 148
PRO A 188
 None
 1.41A 2z54B-4pcgA:
undetectable		 2z54B-4pcgA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		6 ALA A 194
ASP A 195
ASP A 144
VAL A 182
GLY A 147
PRO A 188
 None
 1.47A 2z54B-4pcgA:
undetectable		 2z54B-4pcgA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		6 ALA A 191
ASP A 144
VAL A 179
GLY A 147
ILE A 148
PRO A 185
 None
 1.39A 2z54B-4pchA:
undetectable		 2z54B-4pchA:
17.56
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.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		6 ALA A 191
ASP A 192
ASP A 144
VAL A 179
GLY A 147
PRO A 185
 None
 1.46A 2z54B-4pchA:
undetectable		 2z54B-4pchA:
17.56
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.
4r1u CINNAMOYL COA
REDUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 GLY A  97
ASP A  59
GLY A   8
VAL A  70
ILE A  66
 None
 0.90A 2z54B-4r1uA:
undetectable		 2z54B-4r1uA:
13.79
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 GLY A 196
ALA A 190
ILE A 223
VAL A 214
ILE A 156
 None
None
GOL  A 401 ( 4.2A)
None
None
 0.93A 2z54B-4rweA:
undetectable		 2z54B-4rweA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.84A 2z54B-4tqkA:
undetectable		 2z54B-4tqkA:
15.59
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.
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
 0.93A 2z54B-4ttpA:
undetectable		 2z54B-4ttpA:
15.74
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.82A 2z54B-4xr9A:
undetectable		 2z54B-4xr9A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  76
ILE A 116
 None
 0.75A 2z54B-4y9wA:
7.5		 2z54B-4y9wA:
16.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.79A 2z54B-4ydfA:
12.9		 2z54B-4ydfA:
31.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.66A 2z54B-4ydfA:
12.9		 2z54B-4ydfA:
31.30
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.
4yzg PROTEIN PHOSPHATASE
2C 57

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A 238
GLY A 160
GLY A 179
ILE A 178
ILE A 230
 None
 0.90A 2z54B-4yzgA:
undetectable		 2z54B-4yzgA:
17.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
 0.81A 2z54B-5b18A:
18.0		 2z54B-5b18A:
77.78
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) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 1.06A 2z54B-5b18A:
18.0		 2z54B-5b18A:
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.
5fmg PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ASP H 157
VAL H  12
ILE H  37
VAL H 231
ILE H 233
 None
 0.87A 2z54B-5fmgH:
undetectable		 2z54B-5fmgH:
14.00
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 2z54B-5g5gA:
undetectable		 2z54B-5g5gA:
23.78