SIMILAR PATTERNS OF AMINO ACIDS FOR 1HSG_B_MK1B902_2

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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.83A 1hsgB-1cziE:
6.9		 1hsgB-1cziE:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		5 GLY A 212
ALA A 179
ASP A 180
GLY A 174
VAL A 198
 None
 1.00A 1hsgB-1f2dA:
undetectable		 1hsgB-1f2dA:
17.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.87A 1hsgB-1hvcA:
14.2		 1hsgB-1hvcA:
100.00
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 ALA A  28
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.66A 1hsgB-1hvcA:
14.2		 1hsgB-1hvcA:
100.00
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) 		11 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
VAL A  82
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 (-4.5A)
A79  A 800 (-3.8A)
 0.42A 1hsgB-1hvcA:
14.2		 1hsgB-1hvcA:
100.00
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
VAL A  82
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 (-4.5A)
A79  A 800 (-3.6A)
 0.41A 1hsgB-1hvcA:
14.2		 1hsgB-1hvcA:
100.00
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  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.48A 1hsgB-1hvcA:
14.2		 1hsgB-1hvcA:
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 ASP A 535
GLY A 537
ASP A 542
GLY A 449
PRO A 504
 None
 0.84A 1hsgB-1j2bA:
undetectable		 1hsgB-1j2bA:
10.48
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 181
ALA A 182
ILE A 109
PRO A 206
ILE A 200
 None
 0.91A 1hsgB-1kplA:
undetectable		 1hsgB-1kplA:
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 382
ALA A 437
ASP A 435
VAL A 459
VAL A 431
 None
TPP  A 600 (-3.1A)
MG  A 601 ( 2.9A)
None
None
 1.07A 1hsgB-1ovmA:
undetectable		 1hsgB-1ovmA:
10.02
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
 0.44A 1hsgB-1q9pA:
10.7		 1hsgB-1q9pA:
94.74
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
 0.31A 1hsgB-1sivA:
18.7		 1hsgB-1sivA:
50.51
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 GLY A 307
ALA A 308
ASP A 309
VAL A 269
ILE A 303
 None
 0.87A 1hsgB-1tjrA:
undetectable		 1hsgB-1tjrA:
19.59
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.70A 1hsgB-1to3A:
undetectable		 1hsgB-1to3A:
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.
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 1hsgB-1v5fA:
undetectable		 1hsgB-1v5fA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 GLY B  65
ALA B  66
VAL B 221
VAL B 368
ILE B 366
 None
 0.94A 1hsgB-1wdwB:
undetectable		 1hsgB-1wdwB:
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 GLY A   7
ALA A   6
VAL A 162
GLY A 210
ILE A 123
 None
 0.94A 1hsgB-2btmA:
undetectable		 1hsgB-2btmA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2czt PROSTAGLANDIN-H2
D-ISOMERASE

(Mus musculus) 		PF00061
(Lipocalin) 		5 GLY A 100
ALA A  99
VAL A 118
GLY A  76
VAL A 120
 None
 0.91A 1hsgB-2cztA:
undetectable		 1hsgB-2cztA:
18.82
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.
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) 		5 ASP A 341
GLY A 342
ALA A 343
VAL A 156
GLY A 184
 None
 1.06A 1hsgB-2f7lA:
undetectable		 1hsgB-2f7lA:
12.39
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 ALA A  28
ASP A  29
GLY A  54
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.85A 1hsgB-2fmbA:
15.2		 1hsgB-2fmbA:
30.77
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
PRO A  86
VAL A  87
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 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.40A 1hsgB-2fmbA:
15.2		 1hsgB-2fmbA:
30.77
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 1.04A 1hsgB-2h00A:
undetectable		 1hsgB-2h00A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 146
ALA A 147
VAL A 183
VAL A 128
ILE A 126
 None
 0.99A 1hsgB-2hk7A:
undetectable		 1hsgB-2hk7A:
16.36
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 146
VAL A 183
ILE A 118
VAL A 128
ILE A 126
 None
 0.74A 1hsgB-2hk7A:
undetectable		 1hsgB-2hk7A:
16.36
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.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		5 GLY A 218
VAL A  51
GLY A  78
VAL A 180
ILE A 182
 None
 0.90A 1hsgB-2n0sA:
undetectable		 1hsgB-2n0sA:
11.59
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 236
ALA A 237
ASP A 238
ILE A 210
ILE A 232
 None
 0.77A 1hsgB-2o7qA:
undetectable		 1hsgB-2o7qA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		5 ALA 1  58
ILE 1 158
PRO 1 155
VAL 1 171
ILE 1 170
 None
 1.08A 1hsgB-2oap1:
undetectable		 1hsgB-2oap1:
13.85
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.
2pn0 PROKARYOTIC
TRANSCRIPTION
ELONGATION FACTOR
GREA/GREB

(Nitrosomonas
europaea) 		PF01272
(GreA_GreB)
PF14760
(Rnk_N) 		5 GLY A  86
ASP A  83
PRO A  94
VAL A  95
ILE A  89
 None
 1.09A 1hsgB-2pn0A:
undetectable		 1hsgB-2pn0A:
20.28
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.
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
 0.81A 1hsgB-2q0lA:
undetectable		 1hsgB-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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		5 ALA A 145
ASP A   2
VAL A  29
VAL A   8
ILE A   6
 None
None
None
FAD  A 500 (-4.8A)
None
 1.06A 1hsgB-2qa1A:
undetectable		 1hsgB-2qa1A:
10.00
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A 110
GLY A  86
ASP A  82
VAL A 136
GLY A 164
 SAM  A 400 (-2.7A)
SAM  A 400 ( 3.2A)
None
SAM  A 400 (-3.8A)
SAM  A 400 (-3.5A)
 0.91A 1hsgB-2qe6A:
undetectable		 1hsgB-2qe6A:
17.93
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.
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
 0.90A 1hsgB-2qmaA:
undetectable		 1hsgB-2qmaA:
12.18
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		5 GLY A 110
VAL A 154
ILE A 178
VAL A 120
ILE A 122
 None
 0.88A 1hsgB-2qy1A:
undetectable		 1hsgB-2qy1A:
14.89
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  30
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 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.52A 1hsgB-2rkfA:
20.6		 1hsgB-2rkfA:
87.88
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)
 0.39A 1hsgB-2rkfA:
20.6		 1hsgB-2rkfA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.84A 1hsgB-2rspA:
12.9		 1hsgB-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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ALA A  46
ASP A  47
VAL A  69
ILE A  50
ILE A  67
 None
 0.90A 1hsgB-2vcaA:
undetectable		 1hsgB-2vcaA:
7.38
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.
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
 0.83A 1hsgB-2yb6A:
undetectable		 1hsgB-2yb6A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1hsgB-3a3jA:
undetectable		 1hsgB-3a3jA:
18.00
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A 117
ALA A 116
ASP A 115
GLY A  67
ILE A 306
 NAD  A1001 (-3.6A)
None
None
None
None
 0.96A 1hsgB-3abiA:
undetectable		 1hsgB-3abiA:
12.32
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		5 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.06A 1hsgB-3b8bA:
undetectable		 1hsgB-3b8bA:
16.55
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 5 GLY A 260
ALA A 261
GLY A 295
VAL A 274
ILE A 275
 None
 0.96A 1hsgB-3c8vA:
undetectable		 1hsgB-3c8vA:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.04A 1hsgB-3d79A:
undetectable		 1hsgB-3d79A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1hsgB-3dbgA:
undetectable		 1hsgB-3dbgA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.86A 1hsgB-3fbsA:
undetectable		 1hsgB-3fbsA:
18.52
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.85A 1hsgB-3hdyA:
undetectable		 1hsgB-3hdyA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.89A 1hsgB-3kf3A:
undetectable		 1hsgB-3kf3A:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 GLY A  59
ASP A 161
ILE A 108
VAL A  77
ILE A  81
 EDO  A 398 ( 3.8A)
None
ACT  A 394 ( 4.6A)
None
None
 0.88A 1hsgB-3kizA:
undetectable		 1hsgB-3kizA:
13.23
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 GLY A  50
ALA A  51
VAL A  56
VAL A 152
ILE A  53
 None
 0.99A 1hsgB-3l2zA:
undetectable		 1hsgB-3l2zA:
17.90
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
ALA A 336
ASP A 337
VAL A 363
ILE A 149
 None
 1.05A 1hsgB-3mwcA:
undetectable		 1hsgB-3mwcA:
12.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.86A 1hsgB-3mwsA:
19.5		 1hsgB-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) 		11 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
VAL A  82
ILE A  84
 None
 0.42A 1hsgB-3mwsA:
19.5		 1hsgB-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) 		11 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
VAL A  82
ILE A  84
 None
 0.37A 1hsgB-3mwsA:
19.5		 1hsgB-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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		5 GLY A  59
ALA A 104
ILE A 281
VAL A 112
ILE A 101
 None
 1.08A 1hsgB-3ntlA:
undetectable		 1hsgB-3ntlA:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLY A 414
ALA A 415
ASP A 416
VAL A 397
ILE A 452
 None
 0.99A 1hsgB-3o8oA:
undetectable		 1hsgB-3o8oA:
8.31
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 1hsgB-3opyA:
undetectable		 1hsgB-3opyA:
8.35
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.
3r8y 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 ALA A  92
ASP A 108
GLY A  89
VAL A 104
ILE A 106
 None
 1.07A 1hsgB-3r8yA:
undetectable		 1hsgB-3r8yA:
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.
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
 1.09A 1hsgB-3rcmA:
undetectable		 1hsgB-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.
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)
 0.47A 1hsgB-3slzA:
11.4		 1hsgB-3slzA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.64A 1hsgB-3slzA:
11.4		 1hsgB-3slzA:
27.41
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
 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)
 0.62A 1hsgB-3t3cA:
18.2		 1hsgB-3t3cA:
77.78
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
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
017  A 201 (-4.0A)
None
 0.76A 1hsgB-3t3cA:
18.2		 1hsgB-3t3cA:
77.78
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
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
None
 0.57A 1hsgB-3t3cA:
18.2		 1hsgB-3t3cA:
77.78
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)
 0.39A 1hsgB-3ttpA:
19.4		 1hsgB-3ttpA:
79.80
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)
 0.54A 1hsgB-3u7sA:
19.7		 1hsgB-3u7sA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.37A 1hsgB-3uhlA:
16.1		 1hsgB-3uhlA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.05A 1hsgB-4akoA:
undetectable		 1hsgB-4akoA:
13.18
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
VAL A   9
ILE A  36
 None
 0.97A 1hsgB-4b2oA:
undetectable		 1hsgB-4b2oA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 GLY A 303
ALA A 302
VAL A 310
GLY A 249
VAL A 110
 None
 1.09A 1hsgB-4b43A:
undetectable		 1hsgB-4b43A:
14.60
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A  14
ALA A  53
ASP A  52
VAL A 438
VAL A 402
 None
 0.93A 1hsgB-4b92A:
undetectable		 1hsgB-4b92A:
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 GLY A  11
ALA A  50
VAL A 435
VAL A 399
ILE A 401
 None
 1.07A 1hsgB-4gz7A:
undetectable		 1hsgB-4gz7A:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.84A 1hsgB-4k5uB:
undetectable		 1hsgB-4k5uB:
16.82
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.
4kjz TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		5 GLY A 303
ALA A 302
VAL A 310
GLY A 249
VAL A 110
 None
 0.96A 1hsgB-4kjzA:
undetectable		 1hsgB-4kjzA:
13.29
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.88A 1hsgB-4kt1A:
undetectable		 1hsgB-4kt1A:
10.96
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.75A 1hsgB-4njvA:
20.2		 1hsgB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
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)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1hsgB-4njvA:
20.2		 1hsgB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 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
 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 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1hsgB-4njvA:
20.2		 1hsgB-4njvA:
87.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onu ACETYLTRANSFERASE
PAT

(Mycolicibacterium
smegmatis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		5 ARG A  46
GLY A  85
VAL A  62
ILE A  57
VAL A  43
 None
 1.05A 1hsgB-4onuA:
undetectable		 1hsgB-4onuA:
16.43
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.
4q68 UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF07313
(DUF1460) 		5 GLY A  26
VAL A 226
ILE A  34
VAL A  67
ILE A 215
 None
 1.02A 1hsgB-4q68A:
undetectable		 1hsgB-4q68A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qxf LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.96A 1hsgB-4qxfA:
undetectable		 1hsgB-4qxfA:
16.06
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		5 GLY A 258
VAL A  91
GLY A 118
VAL A 220
ILE A 222
 None
 0.78A 1hsgB-4r0vA:
undetectable		 1hsgB-4r0vA:
10.65
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.
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
 1.09A 1hsgB-4r37A:
undetectable		 1hsgB-4r37A:
15.85
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.
4y8f TRIOSEPHOSPHATE
ISOMERASE

(Clostridium
perfringens) 		PF00121
(TIM) 		5 GLY A  11
ALA A  10
VAL A 165
GLY A 213
ILE A 126
 None
 0.98A 1hsgB-4y8fA:
undetectable		 1hsgB-4y8fA:
15.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
ASP A  32
GLY A  34
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
None
4B1  A 201 (-3.4A)
 0.77A 1hsgB-4ydfA:
13.0		 1hsgB-4ydfA:
31.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
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 (-3.4A)
4B1  A 201 (-4.8A)
 0.49A 1hsgB-4ydfA:
13.0		 1hsgB-4ydfA:
31.30
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.
4zox RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 419
ALA A 418
GLY A  84
VAL A  80
ILE A  71
 None
 1.07A 1hsgB-4zoxA:
undetectable		 1hsgB-4zoxA:
15.38
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
 0.41A 1hsgB-5b18A:
18.1		 1hsgB-5b18A:
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.
5egw CYSTEINE PROTEASE

(Ambrosia
artemisiifolia) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLY A 332
ALA A 337
VAL A 243
GLY A 263
VAL A 255
 None
 1.08A 1hsgB-5egwA:
undetectable		 1hsgB-5egwA:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.03A 1hsgB-5nksA:
undetectable		 1hsgB-5nksA:
9.84
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.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 GLY A  46
ALA A  33
VAL A  65
ILE A  19
ILE A  24
 GLY  A  46 ( 0.0A)
ALA  A  33 ( 0.0A)
VAL  A  65 ( 0.6A)
ILE  A  19 ( 0.7A)
ILE  A  24 ( 0.7A)
 1.09A 1hsgB-5nksA:
undetectable		 1hsgB-5nksA:
9.84
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
 0.39A 1hsgB-5t2zA:
19.9		 1hsgB-5t2zA:
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 ASP A  95
GLY A  76
ASP A  72
VAL A 120
GLY A 136
 SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
None
SAH  A 301 (-4.1A)
AZ8  A 302 ( 3.5A)
 0.75A 1hsgB-5ufmA:
undetectable		 1hsgB-5ufmA:
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.80A 1hsgB-5ve3B:
undetectable		 1hsgB-5ve3B:
13.13
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.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 238
ASP A 239
VAL A 199
ILE A 173
 None
 0.86A 1hsgB-5vm2A:
undetectable		 1hsgB-5vm2A:
14.34
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 121
ALA A 122
GLY A 106
VAL A 157
ILE A 155
 None
 1.04A 1hsgB-6b92A:
undetectable		 1hsgB-6b92A:
15.09
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.
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  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.42A 1hsgB-6fivA:
15.6		 1hsgB-6fivA:
29.91
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
ASP A  25
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
None
 0.53A 1hsgB-6upjA:
17.9		 1hsgB-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 ARG A   8
ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
None
 0.53A 1hsgB-6upjA:
17.9		 1hsgB-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
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.70A 1hsgB-6upjA:
17.9		 1hsgB-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
 0.40A 1hsgB-6upjA:
17.9		 1hsgB-6upjA:
48.48