SIMILAR PATTERNS OF AMINO ACIDS FOR 4L1A_A_AB1A101_1

List of similar pattern of amino acids derived from ASSAM search

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

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