SIMILAR PATTERNS OF AMINO ACIDS FOR 3EM4_V_DR7V100

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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ALA A  39
ASP A  38
PRO A 299
ILE A 328
 None
 0.92A 3em4U-1fobA:
undetectable		 3em4U-1fobA:
13.51
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.
1fxz GLYCININ G1

(Glycine max) 		PF00190
(Cupin_1) 		5 GLY A  47
ALA A  46
ILE A  14
VAL A 392
ILE A 394
 None
 0.92A 3em4U-1fxzA:
undetectable		 3em4U-1fxzA:
13.19
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
GLY A  48
PRO A  81
VAL A  82
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 (-4.5A)
A79  A 800 (-3.8A)
 0.95A 3em4U-1hvcA:
14.2		 3em4U-1hvcA:
47.29
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.62A 3em4U-1hvcA:
14.2		 3em4U-1hvcA:
47.29
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.37A 3em4U-1hvcA:
14.2		 3em4U-1hvcA:
47.29
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 251
ALA A 252
ASP A 253
LEU A 221
ILE A 235
 None
 0.90A 3em4U-1i41A:
undetectable		 3em4U-1i41A:
13.70
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 ASP A 535
GLY A 537
ASP A 542
GLY A 449
PRO A 504
 None
 0.90A 3em4U-1j2bA:
undetectable		 3em4U-1j2bA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.93A 3em4U-1lluA:
undetectable		 3em4U-1lluA:
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.
1q40 MRNA TRANSPORT
REGULATOR MTR2

(Candida
albicans) 		PF10429
(Mtr2) 		5 ILE A 163
GLY A  43
LEU A  42
VAL A  54
ILE A  52
 None
 0.88A 3em4U-1q40A:
undetectable		 3em4U-1q40A:
17.71
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  84
 None
 0.49A 3em4U-1q9pA:
10.5		 3em4U-1q9pA:
89.47
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 ASP A  25
GLY A  27
ALA A  28
PRO A  81
ILE A  84
 None
 0.83A 3em4U-1q9pA:
10.5		 3em4U-1q9pA:
89.47
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.
1rvv RIBOFLAVIN SYNTHASE

(Bacillus
subtilis) 		no annotation 6 GLY A  33
ALA A  34
ILE A 112
GLY A 114
VAL A  50
ILE A  17
 None
 1.45A 3em4U-1rvvA:
undetectable		 3em4U-1rvvA:
26.58
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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.61A 3em4U-1sivA:
18.8		 3em4U-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		6 GLY A 307
ALA A 308
ASP A 309
LEU A 276
VAL A 269
ILE A 303
 None
 1.25A 3em4U-1tjrA:
undetectable		 3em4U-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
 0.71A 3em4U-1to3A:
undetectable		 3em4U-1to3A:
12.09
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.
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
 1.07A 3em4U-1yr2A:
undetectable		 3em4U-1yr2A:
8.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ASP A 368
GLY A 322
LEU A 389
VAL A 380
ILE A 376
 ATP  A1001 (-3.3A)
ATP  A1001 ( 3.9A)
None
None
None
 0.84A 3em4U-1z7eA:
undetectable		 3em4U-1z7eA:
10.19
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.
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 3em4U-2bklA:
undetectable		 3em4U-2bklA:
10.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bll PROTEIN YFBG

(Escherichia
coli) 		PF01370
(Epimerase) 		5 ASP A 368
GLY A 322
LEU A 389
VAL A 380
ILE A 376
 None
 0.88A 3em4U-2bllA:
undetectable		 3em4U-2bllA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 221
GLY A 262
ALA A 261
ASP A 260
ILE A 215
 None
None
None
MN  A1442 (-2.0A)
None
 0.82A 3em4U-2bwsA:
undetectable		 3em4U-2bwsA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 318
ALA A 319
ILE A 532
GLY A 527
LEU A 528
 AMP  A1001 (-3.5A)
None
None
None
None
 0.92A 3em4U-2d1qA:
undetectable		 3em4U-2d1qA:
12.80
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.53A 3em4U-2fmbA:
15.2		 3em4U-2fmbA:
33.65
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.
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 3em4U-2h00A:
undetectable		 3em4U-2h00A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2id0 EXORIBONUCLEASE 2

(Escherichia
coli) 		PF00575
(S1)
PF00773
(RNB)
PF08206
(OB_RNB) 		6 GLY A 584
ALA A 585
GLY A 546
LEU A 549
VAL A 631
ILE A 638
 None
 1.41A 3em4U-2id0A:
undetectable		 3em4U-2id0A:
10.89
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ARG A 868
ASP A 876
GLY A 881
ALA A 882
ILE A 917
 None
 0.88A 3em4U-2np0A:
undetectable		 3em4U-2np0A:
5.15
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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 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 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.28A 3em4U-2rkfA:
20.8		 3em4U-2rkfA:
83.84
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
GLY A  39
ALA A  40
ASP A  41
 None
 0.85A 3em4U-2rspA:
12.9		 3em4U-2rspA:
32.00
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 105
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 1.45A 3em4U-2rspA:
12.9		 3em4U-2rspA:
32.00
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.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 GLY A 118
ALA A 117
LEU A 111
PRO A  87
ILE A  92
 None
 0.90A 3em4U-2xuzA:
undetectable		 3em4U-2xuzA:
16.72
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		6 ARG A 129
GLY A 156
ALA A 155
GLY A 173
VAL A 136
ILE A 138
 None
 1.08A 3em4U-2z0jA:
undetectable		 3em4U-2z0jA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 GLY A 109
ALA A 110
ILE A 212
GLY A 115
ILE A 258
 None
 0.93A 3em4U-2zc0A:
undetectable		 3em4U-2zc0A:
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 ARG A 342
GLY A 117
ALA A 116
ASP A 115
GLY A  67
ILE A 306
 None
NAD  A1001 (-3.6A)
None
None
None
None
 1.35A 3em4U-3abiA:
undetectable		 3em4U-3abiA:
11.73
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.
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
 0.86A 3em4U-3dbgA:
undetectable		 3em4U-3dbgA:
10.92
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 GLY A 241
ALA A 240
ILE A 260
VAL A 228
ILE A 232
 None
 0.91A 3em4U-3egjA:
undetectable		 3em4U-3egjA:
14.05
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 ALA A 141
ASP A 143
ILE A 120
VAL A  33
ILE A  26
 None
 0.94A 3em4U-3f6rA:
undetectable		 3em4U-3f6rA:
19.35
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.80A 3em4U-3fbsA:
undetectable		 3em4U-3fbsA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		5 ASP D 114
ILE D 182
LEU D 178
VAL D 134
ILE D 131
 None
 0.76A 3em4U-3fo8D:
undetectable		 3em4U-3fo8D:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ASP A 114
ILE A 182
LEU A 178
VAL A 134
ILE A 131
 None
 0.92A 3em4U-3foaA:
undetectable		 3em4U-3foaA:
12.25
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.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 ASP A 237
ILE A 346
GLY A 334
LEU A 338
VAL A 327
 None
 0.87A 3em4U-3fqdA:
undetectable		 3em4U-3fqdA:
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.79A 3em4U-3fs2A:
undetectable		 3em4U-3fs2A:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  43
ILE A  66
GLY A  96
VAL A  37
ILE A  39
 None
 0.92A 3em4U-3gazA:
undetectable		 3em4U-3gazA:
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		6 ARG A 102
GLY A 107
ALA A 108
ASP A 109
ILE A  59
VAL A  63
 None
 1.11A 3em4U-3gt7A:
undetectable		 3em4U-3gt7A:
23.08
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		6 ARG A 237
GLY A 105
ALA A 106
ASP A 107
LEU A 234
ILE A 109
 None
5RP  A 501 (-3.5A)
None
5RP  A 501 (-2.6A)
None
None
 1.08A 3em4U-3hheA:
undetectable		 3em4U-3hheA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		6 GLY A 105
ALA A 106
ASP A 107
LEU A 234
PRO A 252
ILE A 109
 5RP  A 501 (-3.5A)
None
5RP  A 501 (-2.6A)
None
None
None
 1.48A 3em4U-3hheA:
undetectable		 3em4U-3hheA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hvm AGMATINE DEIMINASE

(Helicobacter
pylori) 		PF04371
(PAD_porph) 		5 GLY A 182
ALA A 183
GLY A 148
LEU A   5
ILE A 152
 None
 0.92A 3em4U-3hvmA:
undetectable		 3em4U-3hvmA:
14.59
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		6 ALA A  44
ASP A  43
ILE A   9
LEU A 173
VAL A 143
ILE A  48
 None
 1.40A 3em4U-3i44A:
undetectable		 3em4U-3i44A:
12.22
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 GLY A 252
ALA A 253
GLY A 258
LEU A 259
ILE A 276
 None
 0.88A 3em4U-3ij3A:
undetectable		 3em4U-3ij3A:
12.87
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ASP U 114
ILE U 182
LEU U 178
VAL U 134
ILE U 131
 None
 0.92A 3em4U-3j2nU:
undetectable		 3em4U-3j2nU:
10.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jtm FORMATE
DEHYDROGENASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 136
ALA A 135
LEU A 373
VAL A 103
ILE A 108
 None
GOL  A 382 ( 4.3A)
None
None
None
 0.89A 3em4U-3jtmA:
undetectable		 3em4U-3jtmA:
16.32
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 ASP A  25
ALA A  28
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 1.28A 3em4U-3mwsA:
20.0		 3em4U-3mwsA:
74.75
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.39A 3em4U-3mwsA:
20.0		 3em4U-3mwsA:
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ASP A 226
VAL A 207
ILE A 261
 PO4  A 767 ( 4.6A)
None
None
None
None
 0.78A 3em4U-3o8lA:
undetectable		 3em4U-3o8lA:
9.36
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.
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
 0.87A 3em4U-3o8oA:
undetectable		 3em4U-3o8oA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 GLY A 122
ALA A 121
ASP A 271
ILE A 269
ILE A 167
 None
 0.87A 3em4U-3ogzA:
undetectable		 3em4U-3ogzA:
10.07
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.
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
 0.75A 3em4U-3opyA:
undetectable		 3em4U-3opyA:
7.56
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.
3pet PUTATIVE ADHESIN

(Bacteroides
fragilis) 		PF10988
(DUF2807) 		5 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.94A 3em4U-3petA:
undetectable		 3em4U-3petA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00171
(Aldedh) 		5 GLY A 285
ALA A 286
ILE A 389
VAL A 396
ILE A 394
 GLY  A 285 ( 0.0A)
ALA  A 286 ( 0.0A)
ILE  A 389 ( 0.7A)
VAL  A 396 ( 0.6A)
ILE  A 394 ( 0.7A)
 0.85A 3em4U-3r64A:
undetectable		 3em4U-3r64A:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		5 ASP A 230
ALA A 233
ASP A 234
ILE A 211
LEU A 218
 None
None
None
ADP  A 261 (-4.6A)
None
 0.94A 3em4U-3r9jA:
undetectable		 3em4U-3r9jA:
17.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
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)
None
017  A 201 (-4.0A)
None
 0.75A 3em4U-3t3cA:
18.5		 3em4U-3t3cA:
74.75
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  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.47A 3em4U-3ttpA:
19.6		 3em4U-3ttpA:
78.79
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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
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 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 3em4U-3ttpA:
19.6		 3em4U-3ttpA:
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.44A 3em4U-3u7sA:
19.9		 3em4U-3u7sA:
77.78
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
ILE A  47
GLY A  49
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 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.54A 3em4U-3u7sA:
19.9		 3em4U-3u7sA:
77.78
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  82
 None
 0.69A 3em4U-3uhlA:
16.2		 3em4U-3uhlA:
77.78
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
 0.51A 3em4U-3uhlA:
16.2		 3em4U-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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 165
ALA A 166
ASP A 118
GLY A 159
ILE A 168
 None
 0.91A 3em4U-4aipA:
undetectable		 3em4U-4aipA:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
LEU A  25
VAL A   9
 None
 0.85A 3em4U-4b2oA:
undetectable		 3em4U-4b2oA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
VAL A   9
ILE A  36
 None
 0.91A 3em4U-4b2oA:
undetectable		 3em4U-4b2oA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLY C 129
ALA C 130
ILE C 133
VAL C 177
ILE C 191
 None
 0.92A 3em4U-4f4oC:
undetectable		 3em4U-4f4oC:
18.40
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A  95
ALA A  96
ILE A  48
GLY A  75
ILE A 274
 FAD  A 601 (-3.9A)
FAD  A 601 (-3.4A)
None
None
None
 0.92A 3em4U-4iv9A:
undetectable		 3em4U-4iv9A:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 3em4U-4k5uB:
undetectable		 3em4U-4k5uB:
16.59
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.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		6 GLY A  38
ALA A  39
ILE A 122
GLY A 124
VAL A  55
ILE A  22
 None
 1.44A 3em4U-4kq6A:
undetectable		 3em4U-4kq6A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n06 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1 1

(Archaeoglobus
fulgidus) 		PF01867
(Cas_Cas1) 		6 GLY A  13
ALA A  51
ASP A  50
GLY A  17
LEU A  18
VAL A  60
 None
 1.41A 3em4U-4n06A:
undetectable		 3em4U-4n06A:
14.12
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.34A 3em4U-4njvA:
20.7		 3em4U-4njvA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A 170
GLY A 172
ALA A 173
PRO A 131
ILE A 165
 None
 0.84A 3em4U-4o1eA:
undetectable		 3em4U-4o1eA:
17.09
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 219
GLY A 260
ALA A 259
ASP A 258
ILE A 213
 None
None
None
MG  A 501 ( 2.0A)
None
 0.81A 3em4U-4pv4A:
undetectable		 3em4U-4pv4A:
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.
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 3em4U-4u1rA:
undetectable		 3em4U-4u1rA:
10.81
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY C 188
ALA C 189
ILE C 192
VAL C 236
ILE C 250
 None
 0.93A 3em4U-4x0lC:
undetectable		 3em4U-4x0lC:
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 0.89A 3em4U-4xvoA:
undetectable		 3em4U-4xvoA:
20.10
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
GLY A  58
ILE A 100
 None
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)
4B1  A 201 (-4.8A)
 0.57A 3em4U-4ydfA:
13.0		 3em4U-4ydfA:
33.33
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 GLY A 619
ALA A 618
ILE A 649
GLY A 652
LEU A 655
 None
 0.81A 3em4U-4yj1A:
undetectable		 3em4U-4yj1A:
10.76
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		5 GLY A 125
ALA A 126
ILE A 109
LEU A 121
ILE A 128
 None
 0.86A 3em4U-4z9nA:
undetectable		 3em4U-4z9nA:
15.79
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 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.10A 3em4U-5b18A:
18.2		 3em4U-5b18A:
75.76
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.
5elz TYPE II PANTOTHENATE
KINASE

(Staphylococcus
aureus) 		PF03630
(Fumble) 		5 GLY A  51
ALA A   7
ILE A  14
GLY A   4
ILE A  57
 None
 0.89A 3em4U-5elzA:
undetectable		 3em4U-5elzA:
19.84
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.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		5 GLY A 277
ALA A 278
LEU A 129
PRO A 248
VAL A 249
 None
 0.88A 3em4U-5i20A:
undetectable		 3em4U-5i20A:
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1) 		6 ARG D 439
ILE D 430
GLY D 274
LEU D 273
VAL D 248
ILE D 256
 None
 1.49A 3em4U-5mg3D:
undetectable		 3em4U-5mg3D:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2p TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Sulfolobus
solfataricus) 		no annotation 5 GLY A 205
ALA A 206
ASP A 207
LEU A 181
VAL A 159
 None
None
None
None
CL  A 303 ( 4.4A)
 0.88A 3em4U-5n2pA:
undetectable		 3em4U-5n2pA:
23.47
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 6 ALA A 598
ILE A 655
GLY A 580
PRO A 640
VAL A 588
ILE A 587
 None
 1.36A 3em4U-5n4cA:
undetectable		 3em4U-5n4cA:
7.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 1.42A 3em4U-5t2zA:
20.1		 3em4U-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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.41A 3em4U-5t2zA:
20.1		 3em4U-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.
5tic ACYL-COA
THIOESTERASE I

(Escherichia
coli) 		PF13472
(Lipase_GDSL_2) 		6 ASP A  74
GLY A  71
ASP A   9
ILE A  42
GLY A  50
LEU A  51
 None
 1.23A 3em4U-5ticA:
undetectable		 3em4U-5ticA:
18.93
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.78A 3em4U-5ve3B:
undetectable		 3em4U-5ve3B:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 238
ASP A 239
VAL A 199
ILE A 173
 None
 0.80A 3em4U-5vm2A:
undetectable		 3em4U-5vm2A:
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 121
ALA A 122
GLY A 106
VAL A 157
ILE A 155
 None
 0.91A 3em4U-6b92A:
undetectable		 3em4U-6b92A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bma INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Campylobacter
jejuni) 		no annotation 5 ALA A 237
ASP A 236
ILE A 184
GLY A 186
ILE A  54
 None
 0.81A 3em4U-6bmaA:
undetectable		 3em4U-6bmaA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dkh L-IDONATE
5-DEHYDROGENASE
(NAD(P)(+))

(Escherichia
coli) 		no annotation 5 GLY A 177
ILE A 197
GLY A 210
LEU A 209
ILE A 185
 None
 0.89A 3em4U-6dkhA:
undetectable		 3em4U-6dkhA:
18.10
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 6 ALA C 199
ASP C  80
GLY C 155
LEU C 154
VAL C 192
ILE C 196
 None
 1.42A 3em4U-6eicC:
undetectable		 3em4U-6eicC:
19.79
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
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)
None
 0.60A 3em4U-6fivA:
15.5		 3em4U-6fivA:
29.57
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.
6grw -

(-) 		no annotation 5 ASP A 414
ILE A 287
GLY A 265
LEU A 269
VAL A 196
 None
 0.91A 3em4U-6grwA:
undetectable		 3em4U-6grwA:
undetectable
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.83A 3em4U-6upjA:
18.3		 3em4U-6upjA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ARG A  52
GLY A  11
GLY A  14
LEU A  17
VAL A  47
 None
NAD  A 380 (-3.3A)
None
None
None
 0.95A 3em4V-1bxkA:
undetectable		 3em4V-1bxkA:
12.81
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ASP C  80
ILE C  63
GLY C  62
LEU C  60
ILE C 112
 None
 0.75A 3em4V-1ffvC:
undetectable		 3em4V-1ffvC:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.54A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.50A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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 ASP A  25
ASP A  29
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.95A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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 ASP A  25
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.72A 3em4V-1hvcA:
14.2		 3em4V-1hvcA:
47.29
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.
1id0 PHOQ HISTIDINE
KINASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ILE A 420
GLY A 419
GLY A 469
LEU A 467
VAL A 412
 ANP  A 487 (-4.7A)
ANP  A 487 (-4.3A)
None
None
None
 1.02A 3em4V-1id0A:
undetectable		 3em4V-1id0A:
23.53
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.
1m9u EARTHWORM
FIBRINOLYTIC ENZYME

(Eisenia fetida) 		PF00089
(Trypsin) 		5 ASP A 185
ILE A  17
GLY A  18
GLY A  19
ILE A 138
 None
 0.99A 3em4V-1m9uA:
undetectable		 3em4V-1m9uA:
16.46
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.
1nrz PTS SYSTEM,
SORBOSE-SPECIFIC IIB
COMPONENT

(Klebsiella
pneumoniae) 		PF03830
(PTSIIB_sorb) 		5 ASP A 127
ILE A   9
GLY A 107
VAL A 152
ILE A 154
 None
 1.05A 3em4V-1nrzA:
undetectable		 3em4V-1nrzA:
21.21
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.
1q40 MRNA TRANSPORT
REGULATOR MTR2

(Candida
albicans) 		PF10429
(Mtr2) 		5 ILE A 163
GLY A  43
LEU A  42
VAL A  54
ILE A  52
 None
 0.83A 3em4V-1q40A:
undetectable		 3em4V-1q40A:
17.71
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.
1qag UTROPHIN ACTIN
BINDING REGION

(Homo sapiens) 		PF00307
(CH) 		5 ARG A  64
ILE A 110
GLY A 111
GLY A 112
LEU A  90
 None
 1.02A 3em4V-1qagA:
undetectable		 3em4V-1qagA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s58 B19 PARVOVIRUS
CAPSID

(Primate
erythroparvovirus
1) 		PF00740
(Parvo_coat) 		5 ARG A 148
ASP A  49
LEU A 478
VAL A 128
ILE A 460
 None
 1.04A 3em4V-1s58A:
undetectable		 3em4V-1s58A:
11.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.64A 3em4V-1sivA:
18.8		 3em4V-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		5 ASP A  19
ILE A  17
GLY A  14
GLY A 262
ILE A 248
 None
 1.03A 3em4V-1t5jA:
undetectable		 3em4V-1t5jA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ASP A 537
GLY A 532
GLY A 529
PRO A 475
VAL A 474
 None
 1.07A 3em4V-1yr2A:
undetectable		 3em4V-1yr2A:
8.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ASP A 368
GLY A 322
LEU A 389
VAL A 380
ILE A 376
 ATP  A1001 (-3.3A)
ATP  A1001 ( 3.9A)
None
None
None
 1.06A 3em4V-1z7eA:
undetectable		 3em4V-1z7eA:
10.19
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 113
GLY A 134
LEU A 138
VAL A 198
ILE A 105
 None
FAD  A 600 (-3.7A)
FAD  A 600 (-3.9A)
None
None
 1.09A 3em4V-2bvgA:
undetectable		 3em4V-2bvgA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 ILE A 243
GLY A 244
GLY A 245
LEU A 246
VAL A 238
 None
 0.97A 3em4V-2cevA:
undetectable		 3em4V-2cevA:
18.08
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.
2dh8 DAZ-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ASP A  18
ILE A  80
GLY A  16
VAL A  40
ILE A  41
 None
 1.04A 3em4V-2dh8A:
undetectable		 3em4V-2dh8A:
20.91
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 ASP A 197
GLY A 233
GLY A 234
LEU A 235
VAL A 101
 PLP  A 510 (-2.8A)
None
None
None
None
 1.08A 3em4V-2dkjA:
undetectable		 3em4V-2dkjA:
14.00
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 ARG A   8
ASP A  25
ASP A  29
ILE A  53
GLY A  54
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.65A 3em4V-2fmbA:
15.2		 3em4V-2fmbA:
33.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
GLY A  55
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.02A 3em4V-2fmbA:
15.2		 3em4V-2fmbA:
33.65
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.
2gdq YITF

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 142
ASP A 190
ILE A 162
GLY A 163
GLY A 164
 None
 1.04A 3em4V-2gdqA:
undetectable		 3em4V-2gdqA:
12.20
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.
2gml RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ASP A  42
GLY A  47
LEU A  48
VAL A  29
ILE A  25
 None
 1.04A 3em4V-2gmlA:
undetectable		 3em4V-2gmlA:
18.49
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.
2j1u FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		5 ASP A  71
GLY A  74
LEU A  75
VAL A  94
ILE A 129
 None
 0.97A 3em4V-2j1uA:
undetectable		 3em4V-2j1uA:
20.69
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 ASP A  48
ILE A  82
GLY A  83
GLY A  84
ILE A  97
 None
 1.07A 3em4V-2p4zA:
undetectable		 3em4V-2p4zA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhk METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Vibrio
parahaemolyticus) 		PF17200
(sCache_2) 		5 ILE A 149
GLY A 148
GLY A 133
LEU A 116
ILE A  18
 None
 1.04A 3em4V-2qhkA:
undetectable		 3em4V-2qhkA:
20.11
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.
2qxt LIPASE

(Bacillus
subtilis) 		PF01674
(Lipase_2) 		5 GLY A 176
GLY A 172
LEU A 173
VAL A 165
ILE A 128
 None
 1.07A 3em4V-2qxtA:
undetectable		 3em4V-2qxtA:
22.22
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.
2rb9 HYPE PROTEIN

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ARG A 334
ASP A 199
GLY A  69
GLY A  70
ILE A 183
 None
 0.99A 3em4V-2rb9A:
undetectable		 3em4V-2rb9A:
16.16
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) 		7 ARG A   8
ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.43A 3em4V-2rkfA:
20.5		 3em4V-2rkfA:
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.
2vsg VARIANT SURFACE
GLYCOPROTEIN ILTAT
1.24

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 ILE A 107
GLY A 106
GLY A 208
LEU A 209
PRO A 223
 None
 1.01A 3em4V-2vsgA:
undetectable		 3em4V-2vsgA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 851
ASP A 779
ILE A 777
GLY A 774
GLY A 377
 None
 1.00A 3em4V-2yn9A:
undetectable		 3em4V-2yn9A:
6.76
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.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 ASP A  82
ILE A  47
GLY A  46
LEU A 235
ILE A  71
 AKG  A 276 (-2.9A)
None
None
None
None
 1.03A 3em4V-2ze3A:
undetectable		 3em4V-2ze3A:
14.98
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		5 ARG A 361
GLY A 356
LEU A 358
VAL A 379
ILE A 442
 None
 1.08A 3em4V-2zyiA:
undetectable		 3em4V-2zyiA:
13.39
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.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		5 ASP D 114
ILE D 182
LEU D 178
VAL D 134
ILE D 131
 None
 0.93A 3em4V-3fo8D:
undetectable		 3em4V-3fo8D:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ASP A 114
ILE A 182
LEU A 178
VAL A 134
ILE A 131
 None
 1.06A 3em4V-3foaA:
undetectable		 3em4V-3foaA:
12.25
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		5 ASP A 200
GLY A 236
GLY A 237
LEU A 238
VAL A 105
 None
 1.04A 3em4V-3g8mA:
undetectable		 3em4V-3g8mA:
15.29
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.
3gge PDZ
DOMAIN-CONTAINING
PROTEIN GIPC2

(Homo sapiens) 		PF00595
(PDZ) 		5 ASP A 177
ILE A 170
GLY A 172
GLY A 137
ILE A 131
 None
 0.91A 3em4V-3ggeA:
undetectable		 3em4V-3ggeA:
21.36
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 307
GLY A 384
LEU A 387
PRO A 355
VAL A 356
 None
 1.01A 3em4V-3hz6A:
undetectable		 3em4V-3hz6A:
10.82
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		6 ILE A1963
GLY A1935
GLY A1934
LEU A1933
VAL A2107
ILE A2104
 None
 1.12A 3em4V-3ilsA:
undetectable		 3em4V-3ilsA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ASP U 114
ILE U 182
LEU U 178
VAL U 134
ILE U 131
 None
 1.06A 3em4V-3j2nU:
undetectable		 3em4V-3j2nU:
10.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		5 GLY A  92
LEU A 165
PRO A  13
VAL A  12
ILE A  16
 None
 1.01A 3em4V-3lo0A:
undetectable		 3em4V-3lo0A:
17.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
GLY A  49
VAL A  82
ILE A  84
 None
 1.00A 3em4V-3mwsA:
19.7		 3em4V-3mwsA:
74.75
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
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.50A 3em4V-3mwsA:
19.7		 3em4V-3mwsA:
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.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ILE A 227
GLY A 226
GLY A 225
VAL A 254
ILE A 255
 None
 1.05A 3em4V-3n5mA:
undetectable		 3em4V-3n5mA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 GLY A  38
GLY A  39
LEU A  40
VAL A  77
ILE A  71
 None
AUC  A 624 ( 4.2A)
AUC  A 624 (-4.2A)
None
None
 1.05A 3em4V-3odmA:
undetectable		 3em4V-3odmA:
10.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.71A 3em4V-3t3cA:
18.5		 3em4V-3t3cA:
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.
3te6 REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 816
GLY A 821
GLY A 822
LEU A 828
ILE A 776
 None
 0.97A 3em4V-3te6A:
undetectable		 3em4V-3te6A:
16.40
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
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.59A 3em4V-3ttpA:
19.6		 3em4V-3ttpA:
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) 		7 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.52A 3em4V-3u7sA:
20.0		 3em4V-3u7sA:
77.78
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) 		5 ARG A   8
ASP A  25
ASP A  29
PRO A  81
VAL A  82
 None
 0.89A 3em4V-3uhlA:
16.1		 3em4V-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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 ARG A  54
ILE A  18
GLY A  17
GLY A  16
VAL A  82
 None
 0.99A 3em4V-3uxyA:
undetectable		 3em4V-3uxyA:
15.93
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.
3vtz GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF13561
(adh_short_C2) 		5 ASP A  39
GLY A  14
GLY A  13
VAL A  60
ILE A  52
 None
 1.04A 3em4V-3vtzA:
undetectable		 3em4V-3vtzA:
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  78
GLY A  16
GLY A  15
LEU A  14
VAL A 440
 ZN  A1556 (-2.5A)
None
None
None
None
 0.95A 3em4V-3zq4A:
undetectable		 3em4V-3zq4A:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 GLY A  81
GLY A  82
LEU A  86
VAL A 440
ILE A 442
 None
 0.88A 3em4V-3zq4A:
undetectable		 3em4V-3zq4A:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 ILE A 171
GLY A 170
LEU A  42
VAL A 136
ILE A 122
 None
 1.04A 3em4V-4a9aA:
undetectable		 3em4V-4a9aA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4acq ALPHA-2-MACROGLOBULI
N

(Homo sapiens) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ILE A 379
GLY A 403
LEU A 404
VAL A 421
ILE A 384
 None
 0.97A 3em4V-4acqA:
undetectable		 3em4V-4acqA:
5.39
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 ASP A 541
ILE A 545
GLY A 547
GLY A 636
LEU A 638
 None
 0.95A 3em4V-4av6A:
undetectable		 3em4V-4av6A:
8.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 537
ILE A 611
GLY A 610
PRO A 445
ILE A 468
 THG  A1652 (-3.4A)
THG  A1652 (-4.2A)
None
None
None
 1.09A 3em4V-4cczA:
undetectable		 3em4V-4cczA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 ILE A 293
GLY A 290
GLY A 323
LEU A 322
ILE A 305
 None
 1.07A 3em4V-4f7aA:
undetectable		 3em4V-4f7aA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl8 OLIGOPEPTIDE ABC
TRANSPORTER OPPAIV

(Borreliella
burgdorferi) 		PF00496
(SBP_bac_5) 		5 ILE A  49
GLY A  54
GLY A  56
VAL A 179
ILE A 184
 None
 1.08A 3em4V-4gl8A:
undetectable		 3em4V-4gl8A:
9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5y CORTICOTROPIN-RELEAS
ING FACTOR RECEPTOR
1, T4-LYSOZYME
CHIMERIC CONSTRUCT

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 ASP A 269
ILE A 271
GLY A 249
LEU A 251
ILE A 243
 None
 1.06A 3em4V-4k5yA:
undetectable		 3em4V-4k5yA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 ASP A 304
GLY A  81
GLY A  82
VAL A 146
ILE A 161
 None
 1.02A 3em4V-4kvfA:
undetectable		 3em4V-4kvfA:
13.54
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 ASP A  97
GLY A 138
LEU A 171
VAL A 160
ILE A 141
 None
 1.02A 3em4V-4lx4A:
undetectable		 3em4V-4lx4A:
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.
4mt0 MTRE PROTEIN

(Neisseria
gonorrhoeae) 		PF02321
(OEP) 		5 ASP A 283
ASP A 159
GLY A 458
GLY A 457
LEU A 455
 None
 1.00A 3em4V-4mt0A:
undetectable		 3em4V-4mt0A:
11.16
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.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 ASP B 151
ASP B 250
ILE B 256
GLY B 254
LEU B 155
 CA  B 705 (-3.4A)
None
None
None
None
 1.09A 3em4V-4nenB:
undetectable		 3em4V-4nenB:
10.14
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3em4V-4njvA:
20.5		 3em4V-4njvA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 ASP A 201
GLY A 237
GLY A 238
LEU A 239
VAL A 105
 None
 1.04A 3em4V-4p3mA:
undetectable		 3em4V-4p3mA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4py9 PUTATIVE
EXOPOLYPHOSPHATASE-R
ELATED PROTEIN

(Bacteroides
fragilis) 		PF01368
(DHH) 		5 ASP A  99
ILE A  37
GLY A  38
VAL A  54
ILE A  26
 None
 0.95A 3em4V-4py9A:
undetectable		 3em4V-4py9A:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 ASP A  99
ILE A  65
LEU A  90
VAL A  81
ILE A 104
 None
 1.08A 3em4V-4qgsA:
undetectable		 3em4V-4qgsA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ASP A 548
GLY A 413
GLY A 422
PRO A 494
VAL A 556
 None
None
ACT  A 802 (-4.0A)
None
None
 0.95A 3em4V-4rf7A:
undetectable		 3em4V-4rf7A:
9.65
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		5 GLY A 242
GLY A 243
LEU A 228
VAL A 176
ILE A 202
 None
 1.05A 3em4V-4rhmA:
undetectable		 3em4V-4rhmA:
14.99
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.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		5 ASP A 195
GLY A 231
GLY A 232
LEU A 233
VAL A  99
 None
 1.02A 3em4V-4wxbA:
undetectable		 3em4V-4wxbA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdy KETOL-ACID
REDUCTOISOMERASE

(uncultured
archaeon
GZfos26G2) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ASP A  72
GLY A  45
PRO A  86
VAL A  89
ILE A  93
 None
None
NAI  A 403 (-3.6A)
NAI  A 403 (-4.8A)
None
 0.79A 3em4V-4xdyA:
undetectable		 3em4V-4xdyA:
14.20
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ASP A 382
ILE A 403
GLY A 442
LEU A 461
PRO A 126
 None
 1.02A 3em4V-4xwhA:
undetectable		 3em4V-4xwhA:
8.70
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		6 ARG A  99
ASP A  88
GLY A  26
GLY A  25
LEU A  24
VAL A 453
 None
ZN  A 602 (-2.7A)
None
None
None
None
 1.12A 3em4V-4xwtA:
undetectable		 3em4V-4xwtA:
11.74
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 ARG A  10
ASP A  32
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.71A 3em4V-4ydfA:
13.1		 3em4V-4ydfA:
33.33
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 365
ILE C 140
GLY C 161
GLY C 162
ILE C 143
 NI  C 602 ( 1.9A)
None
None
None
None
 1.01A 3em4V-4z42C:
undetectable		 3em4V-4z42C:
10.83
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A1161
GLY A1133
GLY A1132
LEU A1131
ILE A1311
 None
 0.88A 3em4V-4zxiA:
undetectable		 3em4V-4zxiA:
5.63
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 ASP A  88
GLY A  26
GLY A  25
LEU A  24
VAL A 449
 ZN  A1457 (-2.7A)
None
None
None
None
 1.01A 3em4V-5a0tA:
undetectable		 3em4V-5a0tA:
9.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 485
GLY A 484
GLY A 483
LEU A 482
PRO A 549
 None
 1.00A 3em4V-5a7mA:
undetectable		 3em4V-5a7mA:
8.39
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
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 1.20A 3em4V-5b18A:
18.3		 3em4V-5b18A:
75.76
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.
5ee2 HEMOGLOBIN-HAPTOGLOB
IN-UTILIZATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF16960
(HpuA) 		5 ILE A 305
GLY A 306
GLY A 307
VAL A 262
ILE A 264
 None
 0.84A 3em4V-5ee2A:
undetectable		 3em4V-5ee2A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 ARG A  98
ASP A 307
GLY A 301
PRO A  81
ILE A 119
 None
 0.98A 3em4V-5gz1A:
undetectable		 3em4V-5gz1A:
16.44
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.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB

(Escherichia
coli) 		no annotation 5 GLY A 287
GLY A 267
LEU A 268
VAL A 256
ILE A 254
 None
 1.06A 3em4V-5h5yA:
undetectable		 3em4V-5h5yA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 ASP A 195
ILE A 188
GLY A 189
LEU A 153
ILE A 199
 None
 1.05A 3em4V-5hj5A:
undetectable		 3em4V-5hj5A:
18.05
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 ASP A 130
GLY A  67
GLY A  27
LEU A  30
ILE A  24
 MG  A 302 ( 2.7A)
None
None
None
None
 1.03A 3em4V-5hmmA:
undetectable		 3em4V-5hmmA:
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB6
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Homo sapiens) 		PF00575
(S1)
PF00623
(RNA_pol_Rpb1_2)
PF01192
(RNA_pol_Rpb6)
PF03876
(SHS2_Rpb7-N)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP F 117
ASP A1472
ILE G  59
GLY G  57
ILE F 105
 None
 1.06A 3em4V-5iy9F:
undetectable		 3em4V-5iy9F:
21.37
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		6 ILE L 122
GLY L 123
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.09A 3em4V-5jfcL:
undetectable		 3em4V-5jfcL:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		5 ILE A 138
GLY A  96
LEU A  40
VAL A  56
ILE A  54
 None
 0.85A 3em4V-5k8cA:
undetectable		 3em4V-5k8cA:
13.76
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 ARG C 365
ASP C 352
GLY C 114
GLY C 216
ILE C 357
 None
 1.00A 3em4V-5mg5C:
undetectable		 3em4V-5mg5C:
20.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.51A 3em4V-5t2zA:
19.8		 3em4V-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) 		6 ILE A 122
GLY A 123
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.3A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.13A 3em4V-5vj7A:
undetectable		 3em4V-5vj7A:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5s AMYLASE

(uncultured
bacterium) 		no annotation 5 ASP A 117
ASP A  97
GLY A 112
GLY A 113
VAL A  46
 None
 0.90A 3em4V-5x5sA:
undetectable		 3em4V-5x5sA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xhu FERREDOXIN--NADP
REDUCTASE

(Bacillus
subtilis) 		no annotation 6 ARG A 206
ASP A 169
GLY A 164
GLY A 163
VAL A 159
ILE A 160
 None
 1.36A 3em4V-5xhuA:
undetectable		 3em4V-5xhuA:
21.00
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.
5yjp HUMAN CHYMASE

(Homo sapiens) 		no annotation 5 GLY A  43
GLY A  44
LEU A  53
VAL A  85
ILE A  64
 None
 1.08A 3em4V-5yjpA:
undetectable		 3em4V-5yjpA:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 ILE A 366
GLY A 365
PRO A 361
VAL A 351
ILE A 350
 None
 1.08A 3em4V-6axeA:
undetectable		 3em4V-6axeA:
9.32
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 534
ILE A 523
GLY A 524
GLY A 525
VAL A 479
 None
 1.00A 3em4V-6c26A:
undetectable		 3em4V-6c26A:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
None
 0.89A 3em4V-6upjA:
18.1		 3em4V-6upjA:
48.48
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 ASP A  25
ASP A  29
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
None
None
 0.67A 3em4V-6upjA:
18.1		 3em4V-6upjA:
48.48