SIMILAR PATTERNS OF AMINO ACIDS FOR 4L1A_A_AB1A101

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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 GLY A 158
ALA A 159
ASP A 160
ILE A  35
THR A 119
 None
 0.75A 4l1aA-1b4eA:
undetectable		 4l1aA-1b4eA:
16.40
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A  47
GLY A  66
ALA A  65
ILE A  23
VAL A  52
 NAD  A1100 (-3.7A)
None
None
None
None
 0.87A 4l1aA-1ee2A:
undetectable		 4l1aA-1ee2A:
15.78
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		5 GLY A 165
ALA A 166
ILE A 306
THR A  91
PRO A  90
 None
 1.09A 4l1aA-1fbwA:
undetectable		 4l1aA-1fbwA:
9.78
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.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 138
ALA A 139
ASP A 140
ILE A 148
VAL A 385
 None
None
ZN  A 501 ( 2.5A)
None
None
 0.93A 4l1aA-1fnoA:
undetectable		 4l1aA-1fnoA:
14.29
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ARG A 548
GLY A 166
ALA A 165
ASP A 539
ILE A 138
 None
 1.01A 4l1aA-1fuiA:
undetectable		 4l1aA-1fuiA:
11.90
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 ARG A   8
GLY A  27
ALA A  28
ASP A  30
THR A  80
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
None
A79  A 800 ( 3.9A)
 0.95A 4l1aA-1hvcA:
12.0		 4l1aA-1hvcA:
43.35
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 ARG A   8
GLY A  27
ALA A  28
ASP A  30
THR A  80
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
None
A79  A 800 ( 3.4A)
 0.66A 4l1aA-1hvcA:
12.0		 4l1aA-1hvcA:
43.35
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 ARG A  87
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
 1.06A 4l1aA-1hvcA:
12.0		 4l1aA-1hvcA:
43.35
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 ARG A  87
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
 1.07A 4l1aA-1hvcA:
12.0		 4l1aA-1hvcA:
43.35
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
None
 0.60A 4l1aA-1hvcA:
12.0		 4l1aA-1hvcA:
43.35
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
None
A79  A 800 ( 3.4A)
 0.59A 4l1aA-1hvcA:
12.0		 4l1aA-1hvcA:
43.35
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		5 ALA A 320
ASP A 334
ILE A 294
THR A 330
VAL A 323
 None
 0.93A 4l1aA-1iokA:
undetectable		 4l1aA-1iokA:
13.90
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.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		5 GLY A 358
ILE A 336
THR A 304
PRO A 305
THR A 306
 None
 0.87A 4l1aA-1jofA:
undetectable		 4l1aA-1jofA:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLY A 364
ALA A 365
ASP A 360
ILE A 299
THR A 387
 None
 1.09A 4l1aA-1nj1A:
undetectable		 4l1aA-1nj1A:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 ASN A  96
GLY A  70
ALA A  69
ILE A 276
VAL A  65
 BGC  A1400 (-2.8A)
None
None
None
None
 1.00A 4l1aA-1nsvA:
undetectable		 4l1aA-1nsvA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 ASN A  96
GLY A  70
ALA A  69
ILE A 278
VAL A  65
 BGC  A1400 (-2.8A)
None
None
None
None
 0.93A 4l1aA-1nsvA:
undetectable		 4l1aA-1nsvA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 229
ALA A 228
ASP A 265
ILE A 243
VAL A 268
 None
 1.02A 4l1aA-1nvmA:
undetectable		 4l1aA-1nvmA:
14.37
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 ARG A 474
GLY A 482
ALA A 484
ASP A 485
VAL A 490
 None
 1.04A 4l1aA-1nylA:
undetectable		 4l1aA-1nylA:
10.37
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.
1nyt SHIKIMATE
5-DEHYDROGENASE

(Escherichia
coli) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ARG A 154
GLY A  83
ALA A  84
ILE A  44
PRO A  63
 NAP  A1401 (-4.0A)
None
None
None
NAP  A1401 ( 4.7A)
 1.04A 4l1aA-1nytA:
undetectable		 4l1aA-1nytA:
16.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
 None
 0.71A 4l1aA-1q9pA:
8.9		 4l1aA-1q9pA:
83.16
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF12573
(OxoDH_E1alpha_N) 		5 GLY B  30
ALA B  58
ASP B  57
THR A 226
THR A 223
 None
 1.11A 4l1aA-1qs0B:
undetectable		 4l1aA-1qs0B:
14.37
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 GLY A  20
ALA A  19
ILE A  31
THR A  81
VAL A 355
 None
 0.98A 4l1aA-1rqgA:
undetectable		 4l1aA-1rqgA:
9.13
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.64A 4l1aA-1sivA:
17.6		 4l1aA-1sivA:
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.
1ueq MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  33
ALA A  57
ASP A  60
ILE A  72
THR A  65
 None
 1.03A 4l1aA-1ueqA:
undetectable		 4l1aA-1ueqA:
26.61
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 ARG A  40
GLY A 254
ALA A 126
ASP A 125
ILE A 219
 None
 1.10A 4l1aA-1woqA:
undetectable		 4l1aA-1woqA:
18.43
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.
1x44 MYOSIN-BINDING
PROTEIN C, SLOW-TYPE

(Homo sapiens) 		PF07679
(I-set) 		5 ALA A  36
ASP A  35
ASP A  34
ILE A  65
THR A  11
 None
 0.96A 4l1aA-1x44A:
undetectable		 4l1aA-1x44A:
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO) 		5 ARG B  84
GLY B  88
ALA B  89
ILE B 227
THR B 144
 None
 1.02A 4l1aA-1yewB:
undetectable		 4l1aA-1yewB:
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		5 GLY A 103
ALA A 155
ASP A 156
ASP A 159
VAL A 100
 None
 0.93A 4l1aA-1zxqA:
undetectable		 4l1aA-1zxqA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
ALA A  28
ASP A  29
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
 0.66A 4l1aA-2fmbA:
13.5		 4l1aA-2fmbA:
30.48
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 ASP A 194
ILE A 161
PRO A 140
THR A 139
VAL A 137
 None
 1.15A 4l1aA-2i5bA:
undetectable		 4l1aA-2i5bA:
16.30
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.
2lli PROTEIN AIR2

(Saccharomyces
cerevisiae) 		PF00098
(zf-CCHC) 		6 ARG A  13
GLY A  29
ALA A  30
ASP A  33
ASP A  32
PRO A  21
 None
 1.49A 4l1aA-2lliA:
undetectable		 4l1aA-2lliA:
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 288
ALA A 289
ILE A 253
THR A 277
VAL A 299
 None
None
None
GOL  A 587 ( 4.9A)
None
 0.97A 4l1aA-2okkA:
undetectable		 4l1aA-2okkA:
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 GLY A  49
ALA A  47
ASP A  46
ILE A  37
VAL A 369
 None
 1.00A 4l1aA-2qt3A:
undetectable		 4l1aA-2qt3A:
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ALA B 156
ILE B 246
PRO B 144
THR B 145
VAL B 147
 None
 1.06A 4l1aA-2rhqB:
undetectable		 4l1aA-2rhqB:
8.47
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.53A 4l1aA-2rkfA:
18.2		 4l1aA-2rkfA:
81.82
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.
2vea PHYTOCHROME-LIKE
PROTEIN CPH1

(Synechocystis
sp. PCC 6803) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ARG A 165
GLY A 270
ALA A 271
ASP A 226
THR A 168
 None
 1.11A 4l1aA-2veaA:
undetectable		 4l1aA-2veaA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		5 GLY A 273
ILE A 268
THR A 288
PRO A 289
THR A 290
 None
 1.06A 4l1aA-2yu1A:
undetectable		 4l1aA-2yu1A:
13.14
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASN A 271
GLY A  12
ASP A 227
ILE A 235
THR A 359
 None
None
ZN  A1001 ( 2.0A)
None
None
 1.16A 4l1aA-3a52A:
undetectable		 4l1aA-3a52A:
12.73
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ARG A 552
GLY A 171
ALA A 170
ASP A 543
ILE A 143
 None
 0.99A 4l1aA-3a9sA:
undetectable		 4l1aA-3a9sA:
10.27
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 GLY A 411
ALA A 412
ASP A 373
PRO A 425
VAL A 414
 None
 1.10A 4l1aA-3auoA:
undetectable		 4l1aA-3auoA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cyg UNCHARACTERIZED
PROTEIN

(Fervidobacterium
nodosum) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		5 GLY A  91
ALA A  93
ASP A  96
ILE A 138
VAL A  53
 None
 0.97A 4l1aA-3cygA:
undetectable		 4l1aA-3cygA:
16.74
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.
3e9d ZGC:56074

(Danio rerio) 		PF00300
(His_Phos_1) 		5 ARG A 238
GLY A 170
ALA A 171
ASP A 168
THR A   3
 None
 1.10A 4l1aA-3e9dA:
undetectable		 4l1aA-3e9dA:
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 ALA A 302
ASP A 298
ILE A 361
THR A 291
THR A 290
 None
 1.13A 4l1aA-3ik2A:
undetectable		 4l1aA-3ik2A:
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.
3irz URO-ADHERENCE FACTOR
A

(Staphylococcus
saprophyticus) 		PF17210
(SdrD_B) 		5 GLY A 532
ALA A 531
ILE A 430
THR A 435
VAL A 402
 None
 1.08A 4l1aA-3irzA:
undetectable		 4l1aA-3irzA:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		5 ASN A 119
GLY A 118
ASP A 174
ILE A 178
THR A 113
 None
 1.15A 4l1aA-3javA:
undetectable		 4l1aA-3javA:
3.23
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 208
GLY A 216
ALA A 217
ASP A 218
ILE A 162
 NAD  A 503 (-4.0A)
None
None
None
None
 1.12A 4l1aA-3jv7A:
undetectable		 4l1aA-3jv7A:
16.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.52A 4l1aA-3mwsA:
18.3		 4l1aA-3mwsA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.52A 4l1aA-3mwsA:
18.3		 4l1aA-3mwsA:
72.73
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 ARG A  74
ALA A 161
ASP A 160
PRO A 176
VAL A 172
 None
 1.04A 4l1aA-3oc6A:
undetectable		 4l1aA-3oc6A:
16.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
VAL A  84
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.47A 4l1aA-3t3cA:
17.3		 4l1aA-3t3cA:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 ARG A  50
GLY A  38
ALA A  79
ASP A  78
VAL A  84
 None
 1.14A 4l1aA-3t8lA:
undetectable		 4l1aA-3t8lA:
9.63
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
 0.63A 4l1aA-3ttpA:
18.0		 4l1aA-3ttpA:
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.
3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacteroides
abscessus) 		PF01182
(Glucosamine_iso) 		5 ARG A  74
ALA A 163
ASP A 162
PRO A 178
VAL A 174
 None
 1.05A 4l1aA-3tx2A:
undetectable		 4l1aA-3tx2A:
17.60
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A 293
ALA A 292
ASP A 240
ILE A 424
VAL A 264
 None
 1.10A 4l1aA-3u0bA:
undetectable		 4l1aA-3u0bA:
14.43
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
VAL A  84
 None
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
None
017  A 202 (-4.0A)
None
 0.62A 4l1aA-3u7sA:
17.9		 4l1aA-3u7sA:
81.82
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.
3u9l 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 ARG A 262
ALA A 247
ASP A 246
ILE A   8
VAL A 265
 None
 1.12A 4l1aA-3u9lA:
undetectable		 4l1aA-3u9lA:
12.90
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
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  84
 None
 0.70A 4l1aA-3uhlA:
16.4		 4l1aA-3uhlA:
80.81
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 GLY A  27
ALA A  28
ASP A  29
THR A  80
PRO A  81
VAL A  84
 None
 0.39A 4l1aA-3uhlA:
16.4		 4l1aA-3uhlA:
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		5 ARG A  55
ALA A 339
ASP A  12
ILE A 332
THR A 264
 TRS  A1391 ( 4.9A)
None
None
None
None
 0.94A 4l1aA-4aweA:
undetectable		 4l1aA-4aweA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		5 GLY A 185
ALA A 186
ASP A 362
ILE A   7
THR A 145
 None
 1.16A 4l1aA-4b0sA:
undetectable		 4l1aA-4b0sA:
12.50
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.
4b97 CELLULOSE BINDING
DOMAIN-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 GLY A  80
ALA A  81
ASP A  82
ILE A  20
THR A 138
 None
 1.07A 4l1aA-4b97A:
undetectable		 4l1aA-4b97A:
17.69
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 GLY A 283
ALA A 284
ASP A 285
ASP A 290
ILE A 253
 None
None
ZN  A 500 ( 2.5A)
None
None
 1.16A 4l1aA-4bz7A:
undetectable		 4l1aA-4bz7A:
11.43
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.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		5 GLY A 146
ALA A 147
ILE A 126
PRO A 184
VAL A 181
 None
 1.08A 4l1aA-4infA:
undetectable		 4l1aA-4infA:
17.06
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.
4iqe CARBOXYVINYL-CARBOXY
PHOSPHONATE
PHOSPHORYLMUTASE

(Bacillus
anthracis) 		PF13714
(PEP_mutase) 		5 GLY A 185
ALA A 186
ASP A 187
ILE A  93
THR A 163
 None
 0.86A 4l1aA-4iqeA:
undetectable		 4l1aA-4iqeA:
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 GLY D 341
ALA D 340
ILE D 324
THR D 266
THR D 445
 None
 1.08A 4l1aA-4j5xD:
undetectable		 4l1aA-4j5xD:
16.28
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
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 (-3.5A)
 0.78A 4l1aA-4njvA:
17.8		 4l1aA-4njvA:
88.89
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 ARG A 349
GLY A 357
ILE A 574
PRO A 537
THR A 536
 None
 1.04A 4l1aA-4qlbA:
undetectable		 4l1aA-4qlbA:
11.27
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.
4qnn PHOSPHOLIPASE A 1
FROM HORNET(VESPA
BASALIS) VENOM

(Vespa basalis) 		PF00151
(Lipase) 		5 GLY A 168
ALA A 167
ASP A 165
THR A 142
THR A 106
 None
 1.15A 4l1aA-4qnnA:
undetectable		 4l1aA-4qnnA:
17.86
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.
4qx8 LYSINE-SPECIFIC
DEMETHYLASE 2A

(Mus musculus) 		PF02373
(JmjC) 		5 GLY A 273
ILE A 268
THR A 288
PRO A 289
THR A 290
 None
 0.78A 4l1aA-4qx8A:
undetectable		 4l1aA-4qx8A:
14.73
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.
4rw3 PHOSPHOLIPASE D
LISICTOX-ALPHAIA1BII

(Loxosceles
intermedia) 		no annotation 5 GLY A 240
ALA A 239
ASP A 238
ILE A 252
VAL A 205
 None
 1.03A 4l1aA-4rw3A:
undetectable		 4l1aA-4rw3A:
16.54
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLY A 388
ALA A 387
THR A 321
PRO A 371
VAL A 317
 None
 1.14A 4l1aA-4s17A:
undetectable		 4l1aA-4s17A:
11.27
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 GLY A 389
ALA A 390
ASP A 391
ASP A 393
THR A  17
 None
 1.04A 4l1aA-4tqtA:
undetectable		 4l1aA-4tqtA:
12.56
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 GLY A 389
ALA A 390
ASP A 391
ASP A 393
THR A 371
 None
 0.98A 4l1aA-4tqtA:
undetectable		 4l1aA-4tqtA:
12.56
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.
4xq2 CALE6

(Micromonospora
echinospora) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 187
ALA A 188
ASP A 189
THR A 144
VAL A 171
 None
None
CL  A 405 ( 4.4A)
None
None
 0.91A 4l1aA-4xq2A:
undetectable		 4l1aA-4xq2A:
12.64
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.
5ams RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 364
ASP A 361
ILE A 335
THR A 417
VAL A 415
 None
 1.13A 4l1aA-5amsA:
undetectable		 4l1aA-5amsA:
12.44
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) 		8 ARG A   8
ASN A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.49A 4l1aA-5b18A:
16.9		 4l1aA-5b18A:
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.
5c5y DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Colwellia
psychrerythraea) 		PF01791
(DeoC) 		5 GLY A  97
ALA A  98
ASP A  99
ILE A  29
THR A  74
 None
None
GOL  A 302 ( 4.8A)
None
None
 1.13A 4l1aA-5c5yA:
undetectable		 4l1aA-5c5yA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5y DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Colwellia
psychrerythraea) 		PF01791
(DeoC) 		5 GLY A  97
ALA A  98
ILE A  29
THR A  74
VAL A 101
 None
 1.10A 4l1aA-5c5yA:
undetectable		 4l1aA-5c5yA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 GLY A 108
ALA A 105
ASP A 247
ILE A 101
THR A 303
 None
 1.12A 4l1aA-5czcA:
undetectable		 4l1aA-5czcA:
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.
5e3j RESPONSE REGULATOR
RSTA

(Acinetobacter
baumannii) 		PF00072
(Response_reg) 		5 GLY A 100
ALA A 101
ASP A 102
ILE A  47
THR A  85
 None
 1.10A 4l1aA-5e3jA:
undetectable		 4l1aA-5e3jA:
22.48
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 192
ALA A  69
ILE A 145
THR A 318
VAL A 316
 None
 1.03A 4l1aA-5eb5A:
undetectable		 4l1aA-5eb5A:
12.06
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		5 GLY A 146
ALA A 145
ILE A 229
THR A  38
THR A  33
 None
None
None
None
G5A  A 300 (-3.9A)
 1.04A 4l1aA-5f5wA:
undetectable		 4l1aA-5f5wA:
15.72
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.
5fie CELL SURFACE PROTEIN
SPAA

(Lactobacillus
rhamnosus) 		no annotation 5 GLY A  69
ALA A  70
ASP A  51
ILE A  57
THR A  46
 None
 0.96A 4l1aA-5fieA:
undetectable		 4l1aA-5fieA:
19.01
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 GLY A 105
ALA A 104
ASP A  50
ILE A 238
VAL A  77
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.6A)
NAI  A 301 (-2.9A)
None
NAI  A 301 (-3.7A)
 1.13A 4l1aA-5h5xA:
undetectable		 4l1aA-5h5xA:
19.92
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.
5hu4 CYSTEINE PROTEASE

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 GLY A  49
ALA A 110
ASP A 109
ILE A  77
THR A 136
 None
 1.15A 4l1aA-5hu4A:
undetectable		 4l1aA-5hu4A:
22.31
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASN A 460
ASP A 451
PRO A 438
THR A 437
VAL A 435
 None
 1.14A 4l1aA-5i1wA:
undetectable		 4l1aA-5i1wA:
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.
5jqn ALIPHATIC AMIDASE

(Nesterenkonia
sp. AN1) 		PF00795
(CN_hydrolase) 		5 ARG A 138
GLY A 161
ALA A 158
PRO A 217
THR A 193
 None
 1.14A 4l1aA-5jqnA:
undetectable		 4l1aA-5jqnA:
20.85
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.
5jvo ARGININE REPRESSOR

(Corynebacterium
pseudotuberculosis) 		PF02863
(Arg_repressor_C) 		5 GLY A 113
ALA A 114
ASP A 136
THR A 132
VAL A 139
 None
None
None
TYR  A 201 (-4.3A)
None
 1.10A 4l1aA-5jvoA:
undetectable		 4l1aA-5jvoA:
23.01
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.60A 4l1aA-5t2zA:
18.5		 4l1aA-5t2zA:
85.86
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 GLY A 271
ALA A 272
ASP A 284
ILE A 245
VAL A 274
 None
 1.00A 4l1aA-5u4hA:
undetectable		 4l1aA-5u4hA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 184
ALA A 185
ASP A 186
THR A  73
VAL A 113
 None
 1.12A 4l1aA-5v4pA:
undetectable		 4l1aA-5v4pA:
22.64
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 265
ALA A 266
ASP A 267
ASP A 272
ILE A 231
 None
None
ZN  A 401 (-2.4A)
None
None
 1.12A 4l1aA-5vi6A:
undetectable		 4l1aA-5vi6A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 265
ALA A 266
ASP A 267
ASP A 272
ILE A 235
 None
None
ZN  A 401 (-2.4A)
None
None
 1.06A 4l1aA-5vi6A:
undetectable		 4l1aA-5vi6A:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 152
ALA A 155
ILE A 104
THR A 188
VAL A 186
 None
 1.13A 4l1aA-5vncA:
undetectable		 4l1aA-5vncA:
19.00
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.
5zhz PROBABLE
ENDONUCLEASE 4

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 227
ALA A 228
ASP A 188
THR A 163
VAL A 190
 None
 1.00A 4l1aA-5zhzA:
undetectable		 4l1aA-5zhzA:
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.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA

(Escherichia
coli) 		no annotation 5 ARG A 270
ALA A 175
ILE A 133
THR A  38
VAL A  28
 None
 1.08A 4l1aA-6cc4A:
undetectable		 4l1aA-6cc4A:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
ASP A  29
ASP A  30
THR A  80
 None
NIU  A 100 (-3.6A)
None
None
None
 0.92A 4l1aA-6upjA:
15.9		 4l1aA-6upjA:
46.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
ASP A  30
THR A  80
PRO A  81
 None
NIU  A 100 (-3.6A)
None
None
None
 0.95A 4l1aA-6upjA:
15.9		 4l1aA-6upjA:
46.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
 0.71A 4l1aA-6upjA:
15.9		 4l1aA-6upjA:
46.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
ALA A  28
ASP A  30
PRO A  81
 None
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
 0.94A 4l1aA-6upjA:
15.9		 4l1aA-6upjA:
46.46
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.
1c9l CLATHRIN

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link) 		4 ARG A 297
ASP A 249
GLY A 222
THR A 277
 None
 1.01A 4l1aB-1c9lA:
undetectable		 4l1aB-1c9lA:
14.85
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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ASN A 489
ASP A 523
GLY A 394
THR A 388
 None
 1.04A 4l1aB-1cb8A:
0.0		 4l1aB-1cb8A:
8.54
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.
1dbn PROTEIN
(LEUKOAGGLUTININ)

(Maackia
amurensis) 		PF00139
(Lectin_legB) 		4 ASN A 165
ASP A  83
PRO A  42
THR A 227
 None
 1.11A 4l1aB-1dbnA:
0.0		 4l1aB-1dbnA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		4 ASN A 251
ASP A 304
GLY A 331
THR A 319
 None
IHP  A 550 (-3.2A)
None
None
 1.04A 4l1aB-1dkpA:
undetectable		 4l1aB-1dkpA:
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		4 ARG A  68
ASN A  97
PRO A  72
THR A  73
 None
 1.00A 4l1aB-1efpA:
undetectable		 4l1aB-1efpA:
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 ARG A  39
GLY A  89
PRO A 234
THR A 233
 None
None
None
NAD  A5500 (-4.5A)
 1.09A 4l1aB-1m2wA:
0.0		 4l1aB-1m2wA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mk2 MADH-INTERACTING
PROTEIN
SMAD 3

(Homo sapiens) 		PF03166
(MH2)
PF11409
(SARA) 		4 ASP A 407
GLY A 401
PRO B 701
THR B 702
 None
 1.08A 4l1aB-1mk2A:
0.0		 4l1aB-1mk2A:
16.99
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.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 ASP A 402
GLY B 363
PRO B 391
THR B 418
 None
 0.98A 4l1aB-1mu2A:
0.0		 4l1aB-1mu2A:
11.74
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII)
no annotation 		4 ARG B 104
ASN A 124
GLY A 146
PRO B 114
 None
 1.04A 4l1aB-1pbyB:
undetectable		 4l1aB-1pbyB:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 ARG A 452
ASP A 329
PRO A 710
THR A 479
 None
 1.07A 4l1aB-1qafA:
undetectable		 4l1aB-1qafA:
9.79
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.
1qd6 PROTEIN (OUTER
MEMBRANE
PHOSPHOLIPASE
(OMPLA))

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASN C 156
ASP C 184
GLY C 146
PRO C 116
 None
None
HDS  C 270 (-3.1A)
HDS  C 270 ( 4.6A)
 0.81A 4l1aB-1qd6C:
undetectable		 4l1aB-1qd6C:
19.33
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		PF00561
(Abhydrolase_1)
no annotation 		4 ASP E 287
GLY E 264
PRO D 113
THR D 112
 CA  E 320 (-3.4A)
None
None
None
 1.10A 4l1aB-1qgeE:
undetectable		 4l1aB-1qgeE:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 ARG A  70
ASN A  88
GLY A  61
THR A  65
 None
None
BMA  A 996 (-2.6A)
None
 1.09A 4l1aB-1qonA:
undetectable		 4l1aB-1qonA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ton TONIN

(Rattus rattus) 		PF00089
(Trypsin) 		4 ASN A 145
GLY A 186
PRO A 219
THR A 218
 None
 1.02A 4l1aB-1tonA:
1.2		 4l1aB-1tonA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ASN A 346
ASP A 342
GLY A 317
THR A 368
 None
 1.09A 4l1aB-1ulqA:
undetectable		 4l1aB-1ulqA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqs HEAT SHOCK 70 KDA
PROTEIN 1
HSPBP1 PROTEIN

(Homo sapiens) 		PF00012
(HSP70)
PF08609
(Fes1) 		4 ARG C 264
ASN A 133
ASP A 139
GLY A  88
 None
 1.07A 4l1aB-1xqsC:
undetectable		 4l1aB-1xqsC:
18.65
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO)
PF04744
(Monooxygenase_B) 		4 ASN A 143
GLY A  34
PRO B 194
THR B 193
 None
 0.86A 4l1aB-1yewA:
undetectable		 4l1aB-1yewA:
13.89
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.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 ASP X 288
GLY X 265
PRO X 113
THR X 112
 CA  X 400 (-3.2A)
None
None
None
 1.10A 4l1aB-1ys2X:
undetectable		 4l1aB-1ys2X:
17.52
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		4 ASP C 229
GLY C  18
PRO C 157
THR C 158
 None
 0.97A 4l1aB-1zq1C:
undetectable		 4l1aB-1zq1C:
9.21
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.
2bud MALES-ABSENT ON THE
FIRST PROTEIN

(Drosophila
melanogaster) 		PF11717
(Tudor-knot) 		4 ASP A 367
GLY A 363
PRO A 409
THR A 402
 None
 1.06A 4l1aB-2budA:
undetectable		 4l1aB-2budA:
18.45
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		4 ARG A 273
GLY A 381
PRO A 278
THR A 277
 None
 0.83A 4l1aB-2bxyA:
undetectable		 4l1aB-2bxyA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0z NOVW

(Streptomyces
niveus) 		PF00908
(dTDP_sugar_isom) 		4 ASP A 168
GLY A 120
PRO A 158
THR A 159
 SO4  A1191 ( 4.3A)
None
None
None
 0.88A 4l1aB-2c0zA:
undetectable		 4l1aB-2c0zA:
20.40
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.
2fex CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF01965
(DJ-1_PfpI) 		4 ASP A  14
GLY A  72
PRO A  37
THR A  36
 None
 1.08A 4l1aB-2fexA:
undetectable		 4l1aB-2fexA:
19.17
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		4 ARG X 119
ASP X 202
GLY X 234
THR X 238
 None
 1.10A 4l1aB-2fgqX:
undetectable		 4l1aB-2fgqX:
14.46
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 4 ASP A 357
GLY A 315
PRO A 176
THR A 175
 CA  A 603 (-2.3A)
None
None
None
 1.10A 4l1aB-2hihA:
undetectable		 4l1aB-2hihA:
11.83
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.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 ASN A 196
ASP A 177
PRO A 122
THR A 121
 None
 1.02A 4l1aB-2im5A:
undetectable		 4l1aB-2im5A:
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 ASP A 178
GLY A 167
PRO A 215
THR A 216
 None
 1.02A 4l1aB-2inrA:
undetectable		 4l1aB-2inrA:
12.01
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.
2n5z RESUSCITATION-PROMOT
ING FACTOR RPFC

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		4 ASP A  10
GLY A  32
PRO A  74
THR A  75
 None
 0.89A 4l1aB-2n5zA:
undetectable		 4l1aB-2n5zA:
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		4 ASP A 111
GLY A 368
PRO A 351
THR A 355
 None
 0.95A 4l1aB-2nmpA:
undetectable		 4l1aB-2nmpA:
16.25
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.
2otb GFP-LIKE FLUORESCENT
CHROMOPROTEIN CFP484

(Clavularia sp.) 		PF01353
(GFP) 		4 ARG A  70
ASN A  81
GLY A   6
PRO A  37
 PIA  A  66 ( 4.1A)
None
None
None
 1.10A 4l1aB-2otbA:
undetectable		 4l1aB-2otbA:
17.94
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		4 ASN A  11
GLY A  33
PRO A  14
THR A  13
 None
 0.99A 4l1aB-2q09A:
undetectable		 4l1aB-2q09A:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 ARG B 181
ASP B 212
GLY B 187
PRO B  35
 None
 1.05A 4l1aB-2q2eB:
undetectable		 4l1aB-2q2eB:
10.58
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) 		4 ARG A   8
ASP A  29
GLY A  48
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
 0.69A 4l1aB-2rkfA:
18.1		 4l1aB-2rkfA:
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.
2vo8 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF12135
(Sialidase_penC) 		4 ASN A 943
ASP A1025
GLY A 969
THR A 940
 None
 1.01A 4l1aB-2vo8A:
undetectable		 4l1aB-2vo8A:
24.31
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ASN A 317
GLY A 243
PRO A 265
THR A 266
 None
 0.67A 4l1aB-2wc7A:
undetectable		 4l1aB-2wc7A:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 343
ASN A 307
ASP A 283
GLY A  83
THR A 305
 None
 1.40A 4l1aB-2wskA:
undetectable		 4l1aB-2wskA:
9.31
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.
2y38 LAMININ SUBUNIT
ALPHA-5

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 ARG A 265
ASP A 199
GLY A 205
PRO A 189
 NAG  A2001 (-3.8A)
None
None
None
 1.10A 4l1aB-2y38A:
undetectable		 4l1aB-2y38A:
13.53
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.
2ych COMPETENCE PROTEIN
PILM

(Thermus
thermophilus) 		PF11104
(PilM_2) 		4 ASN A 333
ASP A 328
GLY A 321
PRO A 336
 None
 0.95A 4l1aB-2ychA:
undetectable		 4l1aB-2ychA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3acz METHIONINE
GAMMA-LYASE

(Entamoeba
histolytica) 		PF01053
(Cys_Met_Meta_PP) 		4 ASP A 105
GLY A 360
PRO A 343
THR A 347
 None
None
None
SO4  A2001 (-4.0A)
 1.05A 4l1aB-3aczA:
undetectable		 4l1aB-3aczA:
14.93
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		4 ASN A 150
ASP A 178
GLY A 191
PRO A 156
 None
 1.11A 4l1aB-3bleA:
undetectable		 4l1aB-3bleA:
15.27
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.
3dzv 4-METHYL-5-(BETA-HYD
ROXYETHYL)THIAZOLE
KINASE

(Enterococcus
faecalis) 		PF02110
(HK) 		4 ASP A 202
GLY A 120
PRO A 115
THR A  90
 None
 1.10A 4l1aB-3dzvA:
undetectable		 4l1aB-3dzvA:
19.25
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.
3f7o SERINE PROTEASE

(Purpureocillium
lilacinum) 		PF00082
(Peptidase_S8) 		4 ASN A 200
ASP A 203
GLY A 184
PRO A 269
 None
CA  A 286 (-3.1A)
None
None
 1.07A 4l1aB-3f7oA:
undetectable		 4l1aB-3f7oA:
17.27
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.
3g8q PREDICTED
RNA-BINDING PROTEIN,
CONTAINS THUMP
DOMAIN

(Methanopyrus
kandleri) 		PF00383
(dCMP_cyt_deam_1)
PF02926
(THUMP) 		4 ARG A  22
ASP A 109
GLY A  88
THR A  25
 None
 0.95A 4l1aB-3g8qA:
undetectable		 4l1aB-3g8qA:
16.54
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		4 ASP A 360
GLY A 356
PRO A 345
THR A 339
 None
 1.10A 4l1aB-3gcwA:
undetectable		 4l1aB-3gcwA:
11.47
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		4 ASP A  52
GLY A  14
PRO A 433
THR A 435
 None
 1.02A 4l1aB-3gipA:
undetectable		 4l1aB-3gipA:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnu CYANOVIRIN-N-LIKE
PROTEIN

(Neurospora
crassa;
Tuber borchii) 		PF08881
(CVNH) 		4 ASN X  54
ASP X  36
GLY X  15
THR X  58
 None
 1.06A 4l1aB-3hnuX:
undetectable		 4l1aB-3hnuX:
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 336
ASP A 360
GLY A 331
THR A 339
 None
 1.07A 4l1aB-3hpfA:
undetectable		 4l1aB-3hpfA:
15.77
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ARG A  47
GLY A 180
PRO A  77
THR A  78
 None
 1.00A 4l1aB-3k8zA:
undetectable		 4l1aB-3k8zA:
12.65
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ASN A 230
ASP A 260
GLY A 249
THR A 563
 None
 1.00A 4l1aB-3mi6A:
undetectable		 4l1aB-3mi6A:
9.40
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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1

(Homo sapiens) 		PF03493
(BK_channel_a) 		4 ASN A 380
ASP A 410
GLY A 333
PRO A 383
 None
 1.09A 4l1aB-3nafA:
undetectable		 4l1aB-3nafA:
9.02
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.
3q9n COA BINDING PROTEIN
CONSENSUS ANKYRIN
REPEAT

(Escherichia
coli) 		PF12796
(Ank_2)
PF13380
(CoA_binding_2)
PF13637
(Ank_4) 		4 ASN A 127
GLY C  79
PRO A  84
THR A 108
 None
 1.00A 4l1aB-3q9nA:
undetectable		 4l1aB-3q9nA:
23.45
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		4 ASN A 225
ASP A 120
GLY A 294
THR A 215
 None
 0.95A 4l1aB-3s6jA:
undetectable		 4l1aB-3s6jA:
19.72
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.
3shw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		4 ASP A 655
GLY A 651
PRO A 710
THR A 709
 None
 1.08A 4l1aB-3shwA:
undetectable		 4l1aB-3shwA:
12.93
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) 		4 ARG A   8
ASP A  29
GLY A  48
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.81A 4l1aB-3ttpA:
17.9		 4l1aB-3ttpA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ARG A 146
ASN A 214
GLY A 220
THR A 151
 None
 1.06A 4l1aB-3w15A:
undetectable		 4l1aB-3w15A:
13.90
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		4 ARG A 171
ASP A 134
GLY A 285
THR A 125
 None
 0.90A 4l1aB-4a3sA:
undetectable		 4l1aB-4a3sA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		4 ASN A 254
ASP A 307
GLY A 334
THR A 322
 None
None
None
GOL  A1419 (-4.4A)
 0.92A 4l1aB-4arsA:
undetectable		 4l1aB-4arsA:
13.45
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.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASN A 315
ASP A 471
PRO A 216
THR A 212
 None
 0.97A 4l1aB-4eqvA:
undetectable		 4l1aB-4eqvA:
14.02
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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		4 ASN A 368
ASP A 375
PRO A 271
THR A 270
 None
 0.97A 4l1aB-4ha4A:
undetectable		 4l1aB-4ha4A:
12.47
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 221
ASN A 248
GLY A 352
PRO A  30
 None
GOL  A 501 ( 3.8A)
None
GOL  A 501 ( 4.8A)
 0.96A 4l1aB-4ip4A:
undetectable		 4l1aB-4ip4A:
14.29
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.
4is4 GLUTAMINE SYNTHETASE

(Medicago
truncatula) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASN A  61
GLY A  65
PRO A 103
THR A 104
 None
 1.07A 4l1aB-4is4A:
undetectable		 4l1aB-4is4A:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		4 ASP B 109
GLY B 367
PRO B 350
THR B 354
 None
None
None
NAK  B 402 (-3.6A)
 1.04A 4l1aB-4iyoB:
undetectable		 4l1aB-4iyoB:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6f PUTATIVE ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A 310
ASP A  90
GLY A 137
PRO A 146
 GOL  A 500 (-4.6A)
None
None
None
 0.85A 4l1aB-4j6fA:
undetectable		 4l1aB-4j6fA:
11.80
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 ASP A  76
GLY A  48
PRO A 126
THR A 125
 None
 1.04A 4l1aB-4maaA:
undetectable		 4l1aB-4maaA:
15.14
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) 		5 ARG A   8
ASP A  29
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.88A 4l1aB-4njvA:
17.7		 4l1aB-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) 		4 ARG A   8
GLY A  52
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.91A 4l1aB-4njvA:
17.7		 4l1aB-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.
4nwv CAPSID PROTEIN

(Orsay virus) 		PF11729
(Capsid-VNN) 		4 ASP A 312
GLY A 243
PRO A 330
THR A 331
 None
 0.94A 4l1aB-4nwvA:
undetectable		 4l1aB-4nwvA:
15.45
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.
4nww CAPSID PROTEIN

(Orsay virus) 		PF11729
(Capsid-VNN) 		4 ASP A 312
GLY A 243
PRO A 330
THR A 331
 None
 0.94A 4l1aB-4nwwA:
undetectable		 4l1aB-4nwwA:
15.91
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		4 ARG A 165
ASP A 212
GLY A 230
THR A 235
 None
 1.08A 4l1aB-4p8bA:
undetectable		 4l1aB-4p8bA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		4 ARG A 136
ASN A 142
ASP A 182
GLY A 175
 None
 0.99A 4l1aB-4q16A:
undetectable		 4l1aB-4q16A:
15.47
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.
4qn0 ENDONUCLEASE G,
MITOCHONDRIAL

(Caenorhabditis
elegans) 		PF01223
(Endonuclease_NS) 		4 ARG A 117
ASN A 154
GLY A 206
THR A 165
 None
 1.09A 4l1aB-4qn0A:
undetectable		 4l1aB-4qn0A:
17.70
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.
4s3l MAJOR PILIN PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 ASP A 120
GLY A 321
PRO A 277
THR A 276
 None
 0.99A 4l1aB-4s3lA:
undetectable		 4l1aB-4s3lA:
13.78
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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 ASN A 158
ASP A 204
GLY A 293
THR A 131
 None
 1.08A 4l1aB-4tz5A:
undetectable		 4l1aB-4tz5A:
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.
4xfj ARGININOSUCCINATE
SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00764
(Arginosuc_synth) 		4 ASP A 207
GLY A 346
PRO A 215
THR A 214
 None
 1.03A 4l1aB-4xfjA:
undetectable		 4l1aB-4xfjA:
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.
4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Streptobacillus
moniliformis) 		PF13407
(Peripla_BP_4) 		4 ASN A  68
ASP A 209
GLY A 173
PRO A  95
 None
 1.02A 4l1aB-4z0nA:
undetectable		 4l1aB-4z0nA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ASP A1177
GLY A1166
PRO A1214
THR A1215
 None
 1.03A 4l1aB-4z3oA:
undetectable		 4l1aB-4z3oA:
8.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 ASN A 135
ASP A 131
GLY A 315
THR A 365
 None
None
LDA  A 901 (-3.9A)
None
 0.99A 4l1aB-4zgvA:
undetectable		 4l1aB-4zgvA:
8.75
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ASN A1078
GLY A 889
PRO A 882
THR A 883
 None
 1.11A 4l1aB-4zktA:
undetectable		 4l1aB-4zktA:
5.37
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.
4zys EXOTOXIN 6

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		4 ASN A  97
ASP A 156
GLY A 118
THR A  57
 None
 1.06A 4l1aB-4zysA:
undetectable		 4l1aB-4zysA:
18.37
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) 		4 ARG A   8
ASN A  25
ASP A  29
GLY A  48
 None
 0.57A 4l1aB-5b18A:
16.8		 4l1aB-5b18A:
79.80
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) 		4 ARG A   8
ASN A  25
ASP A  29
PRO A  81
 None
 0.58A 4l1aB-5b18A:
16.8		 4l1aB-5b18A:
79.80
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 ASP A 456
GLY A  50
PRO A  30
THR A  29
 None
 0.95A 4l1aB-5b4wA:
undetectable		 4l1aB-5b4wA:
11.87
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.
5d1r RV1816
TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		4 ARG A 100
ASP A 144
GLY A 149
THR A 224
 None
 1.06A 4l1aB-5d1rA:
undetectable		 4l1aB-5d1rA:
16.09
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.
5gve DNA TOPOISOMERASE
3-BETA-1

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ASN A 520
GLY A 189
PRO A 220
THR A 221
 None
 1.07A 4l1aB-5gveA:
undetectable		 4l1aB-5gveA:
10.77
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.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		4 ASP A  60
GLY A 110
PRO A 153
THR A  28
 None
 1.10A 4l1aB-5h5jA:
undetectable		 4l1aB-5h5jA:
16.08
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.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 124
ASP A 141
GLY A 430
THR A 155
 CL  A 704 (-3.6A)
None
None
SRM  A 702 (-3.2A)
 0.93A 4l1aB-5h8yA:
undetectable		 4l1aB-5h8yA:
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ASP A 263
GLY A  90
PRO A 468
THR A 466
 None
 1.05A 4l1aB-5hqbA:
undetectable		 4l1aB-5hqbA:
9.80
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.
5kg9 ANTIBODY RE505-22
FAB LIGHT CHAIN

(Homo sapiens;
Mus musculus) 		no annotation 4 ASN L 171
ASP L  82
GLY L  15
PRO L 110
 None
 0.92A 4l1aB-5kg9L:
undetectable		 4l1aB-5kg9L:
19.72
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		4 ASN A 128
GLY A 185
PRO A 148
THR A 147
 None
 1.10A 4l1aB-5lgxA:
undetectable		 4l1aB-5lgxA:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ARG A1781
ASP A1793
GLY A1310
PRO A1210
 None
 1.07A 4l1aB-5m5pA:
undetectable		 4l1aB-5m5pA:
4.34
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.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ARG A 510
ASN A 513
GLY A 312
PRO A 258
 None
None
THR  A 601 ( 3.5A)
None
 1.06A 4l1aB-5n9xA:
undetectable		 4l1aB-5n9xA:
10.70
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.
5o8f NANOBODY NB25

(Lama glama) 		no annotation 4 ASN L  77
ASP L  73
GLY L  55
PRO L  32
 None
 1.06A 4l1aB-5o8fL:
undetectable		 4l1aB-5o8fL:
23.02
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.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		4 ASP A 440
GLY A 433
PRO A 224
THR A 225
 None
 1.10A 4l1aB-5u6sA:
undetectable		 4l1aB-5u6sA:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ujz HEMAGGLUTININ HA1
HEMAGGLUTININ HA2

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASN A  15
ASP A  18
GLY A 320
THR B 515
 NAG  A 408 (-1.8A)
None
None
None
 0.98A 4l1aB-5ujzA:
undetectable		 4l1aB-5ujzA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		4 ASP A 360
GLY A 356
PRO A 345
THR A 339
 CA  A 501 (-2.5A)
None
None
None
 1.11A 4l1aB-5vlhA:
undetectable		 4l1aB-5vlhA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 ARG A 648
ASN A 602
GLY A 490
THR A 654
 None
 0.97A 4l1aB-5vsjA:
undetectable		 4l1aB-5vsjA:
9.34
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 ARG B 178
ASN A 162
GLY A  13
THR A 166
 None
None
FAD  A 701 (-3.5A)
None
 0.97A 4l1aB-5xmjB:
undetectable		 4l1aB-5xmjB:
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 4 ASP A  98
GLY A 356
PRO A 339
THR A 343
 None
None
None
FMT  A 401 (-3.6A)
 1.05A 4l1aB-6cjbA:
undetectable		 4l1aB-6cjbA:
19.23
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.
6d8w HEMAGGLUTININ

(Influenza A
virus) 		no annotation 4 ASN A  13
ASP A  16
GLY A 319
THR A 344
 None
 0.95A 4l1aB-6d8wA:
undetectable		 4l1aB-6d8wA:
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 4 ARG B 938
GLY B1024
PRO B1045
THR B1046
 None
 0.95A 4l1aB-6exvB:
undetectable		 4l1aB-6exvB:
20.56