SIMILAR PATTERNS OF AMINO ACIDS FOR 2AVS_B_MK1B902_3

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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 GLY A  30
ALA A  31
ILE A  33
VAL A   3
ILE A  50
 None
 1.00A 2avsB-1ao0A:
undetectable		 2avsB-1ao0A:
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 110
GLY A 109
VAL A 142
ILE A  49
ILE A  84
 None
 1.13A 2avsB-1fepA:
undetectable		 2avsB-1fepA:
9.10
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ALA A  39
ASP A  38
PRO A 299
ILE A 328
 None
 0.92A 2avsB-1fobA:
undetectable		 2avsB-1fobA:
13.39
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) 		7 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.57A 2avsB-1hvcA:
13.8		 2avsB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.38A 2avsB-1hvcA:
13.8		 2avsB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.45A 2avsB-1hvcA:
13.8		 2avsB-1hvcA:
46.31
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
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.6A)
 1.14A 2avsB-1hvcA:
13.8		 2avsB-1hvcA:
46.31
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ARG A 190
GLY A 154
ALA A 153
VAL A 103
ILE A 183
 None
 1.10A 2avsB-1k7hA:
undetectable		 2avsB-1k7hA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 GLY A  46
ALA A  33
VAL A  65
ILE A  19
ILE A  24
 None
 1.09A 2avsB-1kcxA:
undetectable		 2avsB-1kcxA:
11.82
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.
1mzh DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Aquifex
aeolicus) 		PF01791
(DeoC) 		5 GLY A 297
ASP A 299
ILE A 276
GLY A 274
ILE A 268
 None
 1.15A 2avsB-1mzhA:
undetectable		 2avsB-1mzhA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 1.08A 2avsB-1naaA:
undetectable		 2avsB-1naaA:
11.45
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.
1o8p PUTATUVE
ENDO-XYLANASE

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		5 GLY A  60
VAL A 139
ILE A  89
VAL A 132
ILE A  57
 None
 0.99A 2avsB-1o8pA:
undetectable		 2avsB-1o8pA:
21.32
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		5 GLY A 119
ALA A 148
ILE A 131
VAL A 125
ILE A 202
 None
 0.90A 2avsB-1p4aA:
undetectable		 2avsB-1p4aA:
18.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
 0.47A 2avsB-1q9pA:
9.8		 2avsB-1q9pA:
98.95
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.41A 2avsB-1sivA:
18.4		 2avsB-1sivA:
50.98
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.89A 2avsB-1v5fA:
undetectable		 2avsB-1v5fA:
10.80
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.
1yg0 COP ASSOCIATED
PROTEIN

(Helicobacter
pylori) 		PF00403
(HMA) 		5 GLY A  62
ALA A  61
ASP A  60
VAL A  23
ILE A  19
 None
 0.99A 2avsB-1yg0A:
undetectable		 2avsB-1yg0A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A 143
ALA A 224
VAL A 329
ILE A 228
GLY A 322
 None
 1.14A 2avsB-1yj8A:
undetectable		 2avsB-1yj8A:
12.27
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 125
ILE A 119
GLY A 122
VAL A  40
ILE A  82
 None
A70  A 500 (-3.9A)
None
None
None
 1.06A 2avsB-1zapA:
7.3		 2avsB-1zapA:
16.77
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.
2ayy SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF09456
(RcsC) 		5 GLY A 779
ALA A 761
ILE A 748
VAL A 782
ILE A 798
 None
 0.96A 2avsB-2ayyA:
undetectable		 2avsB-2ayyA:
21.77
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 ASP A 341
GLY A 342
ALA A 343
VAL A 156
GLY A 184
VAL A 183
 None
 1.35A 2avsB-2f7lA:
undetectable		 2avsB-2f7lA:
12.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
VAL A  56
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.45A 2avsB-2fmbA:
15.2		 2avsB-2fmbA:
34.91
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.90A 2avsB-2h6eA:
undetectable		 2avsB-2h6eA:
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A 248
ASP A 161
VAL A 256
ILE A 130
GLY A  39
 None
 0.93A 2avsB-2jg5A:
undetectable		 2avsB-2jg5A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.84A 2avsB-2q0lA:
undetectable		 2avsB-2q0lA:
15.99
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.
2qkx BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 GLY A 334
ALA A 319
VAL A 304
ILE A 298
GLY A 300
 None
 0.99A 2avsB-2qkxA:
undetectable		 2avsB-2qkxA:
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 GLY A 728
ALA A 727
ASP A 755
VAL A 774
ILE A 780
 None
 0.83A 2avsB-2qmaA:
undetectable		 2avsB-2qmaA:
11.97
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 125
ILE A 119
GLY A 122
VAL A  40
ILE A  82
 None
 1.11A 2avsB-2qzwA:
6.5		 2avsB-2qzwA:
14.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
GLY A  27
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.56A 2avsB-2rkfA:
20.5		 2avsB-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.38A 2avsB-2rkfA:
20.5		 2avsB-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 0.93A 2avsB-2rspA:
12.8		 2avsB-2rspA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.37A 2avsB-2rspA:
12.8		 2avsB-2rspA:
32.80
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.
2v6c PROLIFERATION-ASSOCI
ATED PROTEIN 2G4

(Mus musculus) 		PF00557
(Peptidase_M24) 		5 ARG A  33
GLY A  52
GLY A 111
VAL A 112
ILE A 108
 None
 1.12A 2avsB-2v6cA:
undetectable		 2avsB-2v6cA:
13.03
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.89A 2avsB-2yb6A:
undetectable		 2avsB-2yb6A:
19.75
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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 GLY A 109
ALA A 110
ILE A 212
GLY A 115
ILE A 258
 None
 0.84A 2avsB-2zc0A:
undetectable		 2avsB-2zc0A:
14.84
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.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 129
ALA A 132
VAL A 115
ILE A  92
GLY A  98
 None
 1.06A 2avsB-3a3jA:
undetectable		 2avsB-3a3jA:
15.38
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.
3daq DIHYDRODIPICOLINATE
SYNTHASE

(Staphylococcus
aureus) 		PF00701
(DHDPS) 		5 GLY A 189
VAL A 133
ILE A  76
GLY A   9
VAL A   8
 GOL  A 295 (-3.8A)
None
None
None
None
 1.09A 2avsB-3daqA:
undetectable		 2avsB-3daqA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.84A 2avsB-3dbgA:
undetectable		 2avsB-3dbgA:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.86A 2avsB-3fbsA:
undetectable		 2avsB-3fbsA:
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.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 GLY A 117
VAL A  45
ILE A 111
GLY A 131
VAL A 132
 None
 0.93A 2avsB-3gocA:
undetectable		 2avsB-3gocA:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A 137
ALA A 138
GLY A 112
VAL A 113
ILE A 182
 None
 0.74A 2avsB-3gvcA:
undetectable		 2avsB-3gvcA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A 123
 None
 0.99A 2avsB-3hdfA:
undetectable		 2avsB-3hdfA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hsk ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Candida
albicans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  10
ALA A  11
ILE A  31
GLY A   7
VAL A  81
 NAP  A 366 (-3.3A)
None
None
None
None
 1.12A 2avsB-3hskA:
undetectable		 2avsB-3hskA:
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 GLY A 266
ALA A 265
VAL A 313
GLY A 306
ILE A  43
 None
 1.00A 2avsB-3i4jA:
undetectable		 2avsB-3i4jA:
12.83
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 0.86A 2avsB-3i4oA:
undetectable		 2avsB-3i4oA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 1.00A 2avsB-3kf3A:
undetectable		 2avsB-3kf3A:
12.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 None
 0.51A 2avsB-3mwsA:
19.8		 2avsB-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.42A 2avsB-3mwsA:
19.8		 2avsB-3mwsA:
78.79
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		5 GLY A 189
VAL A 130
ILE A  73
GLY A   6
VAL A   5
 None
 1.13A 2avsB-3pb0A:
undetectable		 2avsB-3pb0A:
14.81
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.
3pet PUTATIVE ADHESIN

(Bacteroides
fragilis) 		PF10988
(DUF2807) 		5 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.87A 2avsB-3petA:
undetectable		 2avsB-3petA:
18.98
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.
3pqs TRANSFERRIN-BINDING
PROTEIN

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 463
ALA A 454
ASP A 455
VAL A 429
GLY A 460
 None
 1.09A 2avsB-3pqsA:
undetectable		 2avsB-3pqsA:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 ASP A   5
GLY A   7
ASP A 209
VAL A 235
GLY A 178
 None
None
CIT  A 289 (-3.3A)
None
None
 1.08A 2avsB-3rcmA:
undetectable		 2avsB-3rcmA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 GLY A  19
ALA A  20
VAL A 323
GLY A 208
VAL A 209
 None
 0.84A 2avsB-3rjuA:
undetectable		 2avsB-3rjuA:
14.53
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.58A 2avsB-3slzA:
11.0		 2avsB-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.74A 2avsB-3slzA:
11.0		 2avsB-3slzA:
25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.84A 2avsB-3t3cA:
18.3		 2avsB-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.70A 2avsB-3t3cA:
18.3		 2avsB-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.48A 2avsB-3ttpA:
19.3		 2avsB-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.58A 2avsB-3u7sA:
19.6		 2avsB-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
 None
 0.36A 2avsB-3uhlA:
16.3		 2avsB-3uhlA:
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.
3uuw PUTATIVE
OXIDOREDUCTASE WITH
NAD(P)-BINDING
ROSSMANN-FOLD DOMAIN

(Clostridioides
difficile) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 287
VAL A  92
ILE A  80
GLY A 103
PRO A  95
 None
 0.90A 2avsB-3uuwA:
undetectable		 2avsB-3uuwA:
17.84
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A 183
VAL A 140
ILE A 156
GLY A 189
VAL A 190
 None
 0.87A 2avsB-3uveA:
undetectable		 2avsB-3uveA:
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.
4aa9 CHYMOSIN

(Camelus
dromedarius) 		PF00026
(Asp) 		5 ASP A  34
GLY A  36
ASP A  39
ILE A  75
ILE A 122
 None
None
None
SO4  A1332 (-4.4A)
None
 0.74A 2avsB-4aa9A:
8.3		 2avsB-4aa9A:
18.70
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 280
ASP A 465
VAL A 430
ILE A 467
PRO A 457
 None
None
None
None
EDO  A1517 ( 4.7A)
 0.96A 2avsB-4akoA:
undetectable		 2avsB-4akoA:
12.34
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 358
ILE A 301
GLY A 224
VAL A 223
ILE A 341
 None
 1.14A 2avsB-4az7A:
undetectable		 2avsB-4az7A:
13.26
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ARG A 133
ALA A  14
ASP A  13
VAL A 288
ILE A 283
 None
None
None
None
SO4  A1347 (-4.3A)
 0.93A 2avsB-4bm1A:
undetectable		 2avsB-4bm1A:
12.13
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		5 ALA A  86
VAL A  18
ILE A 100
VAL A  94
ILE A  17
 None
 1.10A 2avsB-4cuoA:
undetectable		 2avsB-4cuoA:
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.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL

(Homo sapiens) 		PF00481
(PP2C) 		5 ASP A 266
GLY A 187
VAL A 254
GLY A 207
VAL A 206
 None
 1.09A 2avsB-4da1A:
undetectable		 2avsB-4da1A:
13.66
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ALA B 355
VAL B 399
ILE B 341
GLY B 358
ILE B 346
 None
 0.81A 2avsB-4g7eB:
undetectable		 2avsB-4g7eB:
9.09
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 GLY A 221
ILE A  25
GLY A 182
VAL A 183
ILE A  31
 None
None
None
KPI  A 184 ( 2.9A)
None
 0.92A 2avsB-4hnnA:
undetectable		 2avsB-4hnnA:
15.38
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		5 GLY A 460
ALA A 531
VAL A 499
ILE A 541
PRO A 544
 None
None
None
None
ZN  A 724 ( 4.3A)
 1.06A 2avsB-4jjjA:
undetectable		 2avsB-4jjjA:
10.32
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans) 		PF01012
(ETF) 		5 GLY B  77
ALA B  78
ASP B  79
VAL B   5
ILE B   3
 None
 0.90A 2avsB-4kpuB:
undetectable		 2avsB-4kpuB:
19.46
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.43A 2avsB-4njvA:
20.1		 2avsB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 2avsB-4njvA:
20.1		 2avsB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2avsB-4njvA:
20.1		 2avsB-4njvA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A6226
ALA A6277
VAL A6457
VAL A6297
ILE A6454
 None
 0.88A 2avsB-4opfA:
undetectable		 2avsB-4opfA:
14.64
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.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 GLY A 181
ALA A 180
VAL A 158
ILE A 146
ILE A 174
 None
 1.04A 2avsB-4r37A:
undetectable		 2avsB-4r37A:
23.76
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.
4y8f TRIOSEPHOSPHATE
ISOMERASE

(Clostridium
perfringens) 		PF00121
(TIM) 		5 GLY A  11
ALA A  10
VAL A 165
GLY A 213
ILE A 126
 None
 1.03A 2avsB-4y8fA:
undetectable		 2avsB-4y8fA:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-4.8A)
 0.40A 2avsB-4ydfA:
12.4		 2avsB-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.62A 2avsB-4ydfA:
12.4		 2avsB-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  84
 None
 0.72A 2avsB-5b18A:
18.3		 2avsB-5b18A:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  49
VAL A  50
ILE A  84
 None
 0.88A 2avsB-5b18A:
18.3		 2avsB-5b18A:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.40A 2avsB-5b18A:
18.3		 2avsB-5b18A:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A 126
ALA A 127
GLY A 100
VAL A 101
ILE A 170
 None
 0.91A 2avsB-5ha5A:
undetectable		 2avsB-5ha5A:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A 376
ALA A 377
ASP A 347
ILE A 241
ILE A 379
 None
 1.01A 2avsB-5habA:
undetectable		 2avsB-5habA:
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.
5l75 FIG000906: PREDICTED
PERMEASE

(Klebsiella
pneumoniae) 		PF03739
(YjgP_YjgQ) 		5 GLY G  75
ALA G  76
ILE G 296
GLY G  81
ILE G  15
 None
 1.01A 2avsB-5l75G:
undetectable		 2avsB-5l75G:
15.23
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 GLY A 166
ALA A 167
VAL A 201
GLY A 210
PRO A 225
 None
None
None
AKG  A 302 ( 4.4A)
None
 1.12A 2avsB-5m0tA:
undetectable		 2avsB-5m0tA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN7

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF10602
(RPN7) 		5 GLY R 165
ALA R 166
ASP R 169
ILE R 135
ILE R 162
 None
 1.15A 2avsB-5mpdR:
undetectable		 2avsB-5mpdR:
12.68
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ASP A  80
GLY A  82
ASP A  85
ILE A 122
ILE A 169
 None
 0.80A 2avsB-5nfgA:
7.1		 2avsB-5nfgA:
14.32
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.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 GLY A  21
ALA A  60
ASP A  59
VAL A 445
ILE A 411
 GLY  A  21 ( 0.0A)
ALA  A  60 ( 0.0A)
ASP  A  59 ( 0.6A)
VAL  A 445 ( 0.6A)
ILE  A 411 ( 0.7A)
 1.00A 2avsB-5nksA:
undetectable		 2avsB-5nksA:
10.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.48A 2avsB-5t2zA:
19.9		 2avsB-5t2zA:
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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		5 GLY A 116
VAL A 180
ILE A 162
GLY A 218
VAL A 217
 None
 0.93A 2avsB-5udfA:
2.5		 2avsB-5udfA:
20.71
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 GLY A 233
ILE A 267
VAL A 264
PRO A 406
ILE A  79
 None
None
None
FAD  A 701 (-4.0A)
FAD  A 701 (-4.0A)
 1.03A 2avsB-5wgxA:
undetectable		 2avsB-5wgxA:
11.92
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.
5x88 CUTINASE

(Malbranchea
cinnamomea) 		no annotation 5 GLY A 114
ALA A 115
VAL A 136
ILE A 151
GLY A 120
 None
 1.16A 2avsB-5x88A:
undetectable		 2avsB-5x88A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.91A 2avsB-5xexA:
undetectable		 2avsB-5xexA:
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 GLY A 225
ALA A 224
GLY A 219
VAL A 218
PRO A 182
 None
 1.11A 2avsB-5y4jA:
undetectable		 2avsB-5y4jA:
12.76
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) 		6 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  59
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 0.41A 2avsB-6fivA:
15.3		 2avsB-6fivA:
31.67
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
ASP A  30
GLY A  49
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.46A 2avsB-6upjA:
17.8		 2avsB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
None
None
 0.63A 2avsB-6upjA:
17.8		 2avsB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.43A 2avsB-6upjA:
17.8		 2avsB-6upjA:
48.48