SIMILAR PATTERNS OF AMINO ACIDS FOR 4J5J_B_478B401

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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 128
ILE A  75
VAL A 101
GLY A  96
VAL A 116
 None
 1.03A 4j5jB-1guzA:
undetectable		 4j5jB-1guzA:
16.50
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 128
ILE A  75
VAL A 101
GLY A  96
VAL A 116
 None
 0.99A 4j5jB-1gv0A:
undetectable		 4j5jB-1gv0A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 200
ASN A 245
GLY A 224
ILE A 223
VAL A 358
 None
 1.00A 4j5jB-1gytA:
undetectable		 4j5jB-1gytA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hh2 N UTILIZATION
SUBSTANCE PROTEIN A

(Thermotoga
maritima) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		5 ASP P 176
ILE P 152
VAL P 180
VAL P 145
VAL P 142
 None
 1.02A 4j5jB-1hh2P:
undetectable		 4j5jB-1hh2P:
16.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 1.05A 4j5jB-1hvcA:
13.0		 4j5jB-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.58A 4j5jB-1hvcA:
13.0		 4j5jB-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.47A 4j5jB-1hvcA:
13.0		 4j5jB-1hvcA:
38.92
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.
1ivm LYSOZYME M

(Mus musculus) 		PF00062
(Lys) 		5 ALA A  83
ASN A  80
ILE A  79
GLY A  55
ILE A  56
 None
 1.07A 4j5jB-1ivmA:
undetectable		 4j5jB-1ivmA:
19.08
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.
1jye LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		6 ALA A  87
ILE A  64
GLY A 297
ILE A  79
VAL A  96
VAL A  94
 None
 1.37A 4j5jB-1jyeA:
undetectable		 4j5jB-1jyeA:
14.94
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		5 ALA A 218
VAL A 274
GLY A 262
VAL A 236
VAL A 210
 None
 1.07A 4j5jB-1m22A:
undetectable		 4j5jB-1m22A:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzv ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
tarentolae) 		PF00156
(Pribosyltran) 		6 ILE A 136
VAL A  99
GLY A  78
ILE A 145
VAL A 169
VAL A 162
 None
 1.38A 4j5jB-1mzvA:
undetectable		 4j5jB-1mzvA:
19.30
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.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ALA A  95
VAL A  14
GLY A  16
ILE A  17
VAL A  87
 None
 0.74A 4j5jB-1p1vA:
undetectable		 4j5jB-1p1vA:
26.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qcd ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
donovani) 		PF00156
(Pribosyltran) 		6 ILE A 136
VAL A  99
GLY A  78
ILE A 145
VAL A 169
VAL A 162
 None
 1.46A 4j5jB-1qcdA:
undetectable		 4j5jB-1qcdA:
17.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.36A 4j5jB-1sivA:
18.9		 4j5jB-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		5 ASN A 383
GLY A 331
ILE A 332
VAL A 327
VAL A 187
 None
ADP  A 401 (-3.2A)
ADP  A 401 (-4.3A)
None
None
 1.03A 4j5jB-1tuuA:
undetectable		 4j5jB-1tuuA:
13.00
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		5 ALA A 130
VAL A 226
GLY A 121
ILE A  25
VAL A 140
 None
 1.07A 4j5jB-1vr0A:
undetectable		 4j5jB-1vr0A:
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 332
ILE A 295
VAL A 407
ILE A 403
VAL A 300
 None
 1.01A 4j5jB-1x0uA:
undetectable		 4j5jB-1x0uA:
16.29
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 ILE A  73
VAL A 213
GLY A 211
PRO A  71
VAL A 104
 None
 1.05A 4j5jB-1yxyA:
undetectable		 4j5jB-1yxyA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		5 ALA 2 187
VAL 2 230
GLY 2 123
ILE 2 197
VAL 2 192
 None
 1.06A 4j5jB-1z7s2:
undetectable		 4j5jB-1z7s2:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zly PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Homo sapiens) 		PF00551
(Formyl_trans_N) 		5 ALA A  28
ILE A  82
VAL A 184
VAL A   5
VAL A   3
 None
 1.02A 4j5jB-1zlyA:
undetectable		 4j5jB-1zlyA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 ALA A 168
ILE A  85
ILE A 224
VAL A  83
VAL A 139
 None
 0.94A 4j5jB-1zwxA:
undetectable		 4j5jB-1zwxA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ALA A 253
ILE A   2
VAL A 130
GLY A  39
ILE A  40
 None
 1.09A 4j5jB-2abqA:
undetectable		 4j5jB-2abqA:
15.88
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ALA A  43
ILE A  47
VAL A  33
GLY A  35
ILE A  40
 None
 1.07A 4j5jB-2ahwA:
undetectable		 4j5jB-2ahwA:
13.27
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ALA A  22
GLY A 127
ILE A 122
VAL A  65
VAL A   4
 None
 1.07A 4j5jB-2eb0A:
undetectable		 4j5jB-2eb0A:
16.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  55
PRO A  86
VAL A  87
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.47A 4j5jB-2fmbA:
15.4		 4j5jB-2fmbA:
32.69
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ALA A  24
ILE A 113
ILE A  13
VAL A 186
VAL A 166
 None
 1.04A 4j5jB-2g04A:
undetectable		 4j5jB-2g04A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ALA A 319
VAL A 308
ILE A 250
VAL A 231
VAL A 214
 None
 1.04A 4j5jB-2iceA:
undetectable		 4j5jB-2iceA:
10.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jb7 HYPOTHETICAL PROTEIN
PAE2307

(Pyrobaculum
aerophilum) 		PF04008
(Adenosine_kin) 		5 ILE A  81
VAL A  86
ILE A  22
VAL A  13
VAL A 122
 None
 1.08A 4j5jB-2jb7A:
undetectable		 4j5jB-2jb7A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lbw H/ACA
RIBONUCLEOPROTEIN
COMPLEX SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF01248
(Ribosomal_L7Ae) 		5 ASN A  40
ILE A 102
VAL A  43
PRO A 100
VAL A 153
 None
 1.06A 4j5jB-2lbwA:
undetectable		 4j5jB-2lbwA:
24.59
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A  13
ASN A  29
GLY A 119
PRO A  17
VAL A  16
 None
 1.03A 4j5jB-2qt6A:
undetectable		 4j5jB-2qt6A:
10.10
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 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.60A 4j5jB-2rkfA:
19.8		 4j5jB-2rkfA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v0j BIFUNCTIONAL PROTEIN
GLMU

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ALA A 419
VAL A 403
GLY A 422
ILE A 438
VAL A 431
 None
None
PG4  A1456 ( 3.7A)
PG4  A1456 ( 4.4A)
None
 1.03A 4j5jB-2v0jA:
undetectable		 4j5jB-2v0jA:
13.38
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.
2vfv XYLITOL OXIDASE

(Streptomyces
coelicolor) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 ALA A  52
ASN A  49
ILE A  13
GLY A  55
VAL A   6
 SFD  A1418 ( 4.3A)
None
None
None
None
 1.08A 4j5jB-2vfvA:
undetectable		 4j5jB-2vfvA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzg GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 ALA A 289
ILE A 276
GLY A 273
ILE A 500
VAL A 507
 None
 1.08A 4j5jB-2wzgA:
undetectable		 4j5jB-2wzgA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		5 ALA A 265
GLY A 306
ILE A 310
VAL A 274
VAL A 268
 None
 1.06A 4j5jB-2x24A:
undetectable		 4j5jB-2x24A:
8.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		5 ALA A 204
ILE A 185
GLY A 162
ILE A 196
VAL A 211
 None
 0.94A 4j5jB-2zsiA:
undetectable		 4j5jB-2zsiA:
15.60
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ALA A 202
ILE A 268
GLY A 142
ILE A 143
VAL A 230
 None
 0.94A 4j5jB-3bolA:
undetectable		 4j5jB-3bolA:
10.90
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.
3bw2 2-NITROPROPANE
DIOXYGENASE

(Streptomyces
ansochromogenes) 		PF03060
(NMO) 		5 ALA A 152
ILE A 170
GLY A 173
VAL A 211
VAL A 169
 None
 1.04A 4j5jB-3bw2A:
undetectable		 4j5jB-3bw2A:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dho STREPTOGRAMIN A
ACETYLTRANSFERASE

(Enterococcus
faecium) 		PF00132
(Hexapep) 		5 ILE A 134
VAL A 146
GLY A 157
ILE A 164
VAL A 120
 None
None
B2M  A 302 (-3.5A)
B2M  A 302 ( 4.0A)
None
 1.08A 4j5jB-3dhoA:
undetectable		 4j5jB-3dhoA:
21.72
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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ALA A 319
ILE A 298
GLY A 305
VAL A 313
VAL A 315
 None
 0.91A 4j5jB-3dj4A:
undetectable		 4j5jB-3dj4A:
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.
3ez9 PARA

(Salmonella
enterica) 		PF13614
(AAA_31) 		5 ALA A 310
ILE A 393
GLY A 313
ILE A 339
VAL A 396
 None
 1.03A 4j5jB-3ez9A:
undetectable		 4j5jB-3ez9A:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fay RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1

(Homo sapiens) 		PF00616
(RasGAP) 		5 ILE A1149
GLY A1188
ILE A1187
VAL A1153
VAL A1150
 None
 0.92A 4j5jB-3fayA:
undetectable		 4j5jB-3fayA:
15.34
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.
3fdb PUTATIVE
PLP-DEPENDENT
BETA-CYSTATHIONASE

(Corynebacterium
diphtheriae) 		PF00155
(Aminotran_1_2) 		5 ALA A 178
ILE A 153
VAL A 142
VAL A 187
VAL A 185
 None
 1.03A 4j5jB-3fdbA:
undetectable		 4j5jB-3fdbA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ASN A   9
ILE A  57
GLY A  49
VAL A  55
VAL A  31
 NAP  A 300 (-3.1A)
None
None
None
None
 1.03A 4j5jB-3ijpA:
undetectable		 4j5jB-3ijpA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3in6 FMN-BINDING PROTEIN

(Syntrophomonas
wolfei) 		no annotation 5 ILE A 139
GLY A  55
ILE A  54
VAL A  99
VAL A  97
 MPD  A 149 (-4.0A)
None
None
None
None
 1.09A 4j5jB-3in6A:
undetectable		 4j5jB-3in6A:
18.54
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.
3ja6 CHEMOTAXIS PROTEIN
CHEW

(Escherichia
coli) 		PF01584
(CheW) 		5 ALA A  24
ILE A 104
VAL A 126
GLY A 124
VAL A  13
 None
 0.97A 4j5jB-3ja6A:
undetectable		 4j5jB-3ja6A:
19.86
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.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		5 ASN A 371
GLY A 322
ILE A 323
VAL A 318
VAL A 181
 None
 1.09A 4j5jB-3khyA:
undetectable		 4j5jB-3khyA:
13.05
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.
3m5r NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 ILE A 128
VAL A 157
ILE A 160
VAL A 194
VAL A 192
 None
 0.96A 4j5jB-3m5rA:
undetectable		 4j5jB-3m5rA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mk3 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Salmonella
enterica) 		no annotation 5 ALA A 140
ILE A  17
ILE A  41
VAL A  15
VAL A  77
 None
 1.10A 4j5jB-3mk3A:
undetectable		 4j5jB-3mk3A:
23.72
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 ALA A 374
ILE A 370
VAL A 378
ILE A  60
PRO A  14
 None
 0.97A 4j5jB-3mkvA:
undetectable		 4j5jB-3mkvA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mmg NUCLEAR INCLUSION
PROTEIN A

(Tobacco vein
mottling virus) 		PF00863
(Peptidase_C4) 		5 VAL A 180
GLY A 165
ILE A 163
VAL A  84
VAL A  77
 None
 1.09A 4j5jB-3mmgA:
undetectable		 4j5jB-3mmgA:
18.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
 None
 0.97A 4j5jB-3mwsA:
20.2		 4j5jB-3mwsA:
70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 None
 0.55A 4j5jB-3mwsA:
20.2		 4j5jB-3mwsA:
70.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 ASN A 386
GLY A 333
ILE A 334
VAL A 329
VAL A 189
 None
 1.01A 4j5jB-3slcA:
undetectable		 4j5jB-3slcA:
11.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
VAL A  84
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.66A 4j5jB-3t3cA:
18.4		 4j5jB-3t3cA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
PRO A  81
VAL A  84
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
None
 0.70A 4j5jB-3t3cA:
18.4		 4j5jB-3t3cA:
69.70
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ASP A  64
ALA A  29
ILE A 271
VAL A 264
VAL A 276
 None
 1.08A 4j5jB-3tr9A:
undetectable		 4j5jB-3tr9A:
17.49
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 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.59A 4j5jB-3ttpA:
19.7		 4j5jB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.65A 4j5jB-3u7sA:
19.6		 4j5jB-3u7sA:
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.
3uem PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 ALA A 156
VAL A 204
GLY A 159
ILE A 186
VAL A 150
 None
 1.04A 4j5jB-3uemA:
undetectable		 4j5jB-3uemA:
13.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASN A  30
ILE A  32
VAL A  82
VAL A  84
 None
 0.65A 4j5jB-3uhlA:
16.5		 4j5jB-3uhlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ILE A  32
PRO A  81
VAL A  82
VAL A  84
 None
 0.51A 4j5jB-3uhlA:
16.5		 4j5jB-3uhlA:
100.00
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.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 ALA A 187
ILE A 120
VAL A  31
PRO A 143
VAL A 145
 None
 0.97A 4j5jB-3wrvA:
undetectable		 4j5jB-3wrvA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 ALA A 187
ILE A 120
VAL A  31
PRO A 143
VAL A 145
 None
 0.95A 4j5jB-3wryA:
undetectable		 4j5jB-3wryA:
15.00
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 ILE A 269
VAL A 512
GLY A 515
VAL A 308
VAL A 268
 None
 1.08A 4j5jB-3zk4A:
undetectable		 4j5jB-3zk4A:
11.81
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 ASN A 253
ILE A 254
GLY A 168
ILE A 173
VAL A 264
 None
 1.06A 4j5jB-4aq4A:
undetectable		 4j5jB-4aq4A:
13.08
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
ILE A 125
GLY A 130
ILE A 135
VAL A 143
 None
 1.07A 4j5jB-4c30A:
undetectable		 4j5jB-4c30A:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cze ROD
SHAPE-DETERMINING
PROTEIN MREB

(Caulobacter
vibrioides) 		PF06723
(MreB_Mbl) 		5 ASN A  11
ILE A  13
VAL A  96
VAL A 109
VAL A 107
 None
 1.06A 4j5jB-4czeA:
undetectable		 4j5jB-4czeA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efh ACTIN-1

(Acanthamoeba
castellanii) 		PF00022
(Actin) 		5 ASP A 154
ALA A 138
GLY A 342
ILE A 341
VAL A 152
 CA  A 401 ( 4.4A)
None
None
None
None
 1.10A 4j5jB-4efhA:
undetectable		 4j5jB-4efhA:
15.90
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.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ALA A 187
ILE A 231
VAL A 165
VAL A 203
VAL A 201
 None
 1.06A 4j5jB-4egeA:
undetectable		 4j5jB-4egeA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4el1 PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 ALA A 156
VAL A 204
GLY A 159
ILE A 186
VAL A 150
 None
 1.05A 4j5jB-4el1A:
undetectable		 4j5jB-4el1A:
13.68
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.
4fir PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Pyrococcus
horikoshii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 ALA A  45
ILE A  28
VAL A  23
GLY A  25
VAL A 277
 None
None
None
None
R5P  A 401 ( 4.4A)
 1.00A 4j5jB-4firA:
undetectable		 4j5jB-4firA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hr3 PUTATIVE ACYL-COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 188
VAL A 237
GLY A 172
VAL A 207
VAL A 209
 None
 0.94A 4j5jB-4hr3A:
undetectable		 4j5jB-4hr3A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 268
GLY A 271
ILE A 272
PRO A 291
VAL A 289
 None
 1.05A 4j5jB-4jn7A:
undetectable		 4j5jB-4jn7A:
16.88
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		5 ALA A 103
VAL A 240
GLY A 238
VAL A 198
VAL A  81
 None
 1.10A 4j5jB-4l69A:
undetectable		 4j5jB-4l69A:
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 ALA A 835
ILE A 765
GLY A 784
VAL A 763
VAL A 755
 None
 1.05A 4j5jB-4n3nA:
undetectable		 4j5jB-4n3nA:
10.00
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 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.51A 4j5jB-4njvA:
19.7		 4j5jB-4njvA:
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.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		5 ASP A 154
ALA A 138
GLY A 342
ILE A 341
VAL A 152
 CA  A 502 ( 4.5A)
None
None
None
None
 1.05A 4j5jB-4pl7A:
undetectable		 4j5jB-4pl7A:
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.
4y4m PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF01946
(Thi4) 		5 ASP A 177
ALA A 231
GLY A 201
VAL A 221
VAL A 227
 None
None
None
NHE  A 302 (-4.0A)
None
 0.98A 4j5jB-4y4mA:
undetectable		 4j5jB-4y4mA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y4n PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanotorris
igneus) 		PF01946
(Thi4) 		5 ASP A 172
ALA A 227
GLY A 197
VAL A 217
VAL A 223
 None
 0.95A 4j5jB-4y4nA:
undetectable		 4j5jB-4y4nA:
15.92
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ILE A 762
GLY A 679
PRO A 765
VAL A 764
VAL A 757
 None
 1.03A 4j5jB-4zg7A:
undetectable		 4j5jB-4zg7A:
9.50
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.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		5 ALA A 191
ILE A  73
VAL A 226
GLY A 214
VAL A 200
 None
None
None
LLP  A 216 ( 4.4A)
None
 0.81A 4j5jB-5b7sA:
undetectable		 4j5jB-5b7sA:
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.
5cyx PROTEIN CDHR2

(Mus musculus) 		PF00028
(Cadherin) 		5 ALA A 228
ILE A 277
VAL A 319
VAL A 279
VAL A 240
 None
 0.78A 4j5jB-5cyxA:
undetectable		 4j5jB-5cyxA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ALA A1279
ILE A1188
VAL A1288
PRO A1294
VAL A1181
 None
 1.04A 4j5jB-5dotA:
undetectable		 4j5jB-5dotA:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ILE B 267
VAL B 299
ILE B 296
VAL B 329
VAL B 327
 None
 1.02A 4j5jB-5hccB:
undetectable		 4j5jB-5hccB:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j07 SUPEROXIDE DISMUTASE
[CU-ZN],SUPEROXIDE
DISMUTASE
[CU-ZN],SUPEROXIDE
DISMUTASE
[CU-ZN],SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ALA A  54
VAL A   3
GLY A   5
ILE A   6
VAL A  46
 None
 0.94A 4j5jB-5j07A:
undetectable		 4j5jB-5j07A:
28.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j0c SUPEROXIDE DISMUTASE
[CU-ZN],SUPEROXIDE
DISMUTASE
[CU-ZN],OXIDOREDUCTA
SE,SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ALA A  39
VAL A 102
GLY A 104
ILE A 105
VAL A  31
 None
 0.93A 4j5jB-5j0cA:
undetectable		 4j5jB-5j0cA:
30.51
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.
5j0f SUPEROXIDE DISMUTASE
[CU-ZN],OXIDOREDUCTA
SE,SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ALA A  15
VAL A  78
GLY A  80
ILE A  81
VAL A   7
 GOL  A 201 (-4.4A)
None
None
GOL  A 202 ( 4.1A)
None
 0.92A 4j5jB-5j0fA:
undetectable		 4j5jB-5j0fA:
23.31
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.
5j0g OXIDOREDUCTASE,SUPER
OXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ALA A  83
VAL A  32
GLY A  34
ILE A  35
VAL A  75
 None
 0.97A 4j5jB-5j0gA:
undetectable		 4j5jB-5j0gA:
25.83
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.
5kkp PSEUDOURIDYLATE
SYNTHASE 7

(Homo sapiens) 		PF01142
(TruD) 		5 ASN A 397
ILE A 394
GLY A 465
ILE A 466
VAL A 402
 None
 1.07A 4j5jB-5kkpA:
undetectable		 4j5jB-5kkpA:
10.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ms3 KALLIKREIN-8

(Homo sapiens) 		no annotation 5 ILE A  83
GLY A  48
ILE A 242
VAL A  85
VAL A  65
 None
 1.00A 4j5jB-5ms3A:
undetectable		 4j5jB-5ms3A:
16.35
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		5 ALA A 631
GLY A 626
PRO A 599
VAL A 612
VAL A 579
 SF4  A 707 ( 4.4A)
None
SF4  A 706 ( 4.2A)
None
SF4  A 707 ( 4.5A)
 1.07A 4j5jB-5odrA:
undetectable		 4j5jB-5odrA:
10.36
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) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
 0.53A 4j5jB-5t2zA:
19.8		 4j5jB-5t2zA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
wolfeii) 		PF01493
(GXGXG) 		5 ASN C  95
ILE C  79
VAL C  73
GLY C  92
VAL C  98
 None
 1.06A 4j5jB-5t5iC:
undetectable		 4j5jB-5t5iC:
16.33
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 ALA A  17
ILE A 114
VAL A  48
GLY A  51
VAL A 151
 None
 1.08A 4j5jB-5xn8A:
undetectable		 4j5jB-5xn8A:
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.
5xw3 O-ACETYLSERINE LYASE

(Bacillus
anthracis) 		PF00291
(PALP) 		5 ALA A  83
ILE A  67
GLY A  48
VAL A  92
VAL A  90
 None
 0.93A 4j5jB-5xw3A:
undetectable		 4j5jB-5xw3A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 ALA A 109
ILE A   6
VAL A 346
VAL A   4
VAL A 218
 None
 1.00A 4j5jB-6et9A:
undetectable		 4j5jB-6et9A:
27.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
ALA A  33
ILE A  37
GLY A  58
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
None
 0.76A 4j5jB-6fivA:
16.0		 4j5jB-6fivA:
32.46
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 ASP A  25
ALA A  28
ILE A  32
VAL A  47
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.72A 4j5jB-6upjA:
18.5		 4j5jB-6upjA:
49.49
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 ASP A  25
ALA A  28
VAL A  47
GLY A  49
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.91A 4j5jB-6upjA:
18.5		 4j5jB-6upjA:
49.49