SIMILAR PATTERNS OF AMINO ACIDS FOR 2HS1_A_017A201_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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 GLY B 274
ALA B 275
ILE B 136
ILE B   8
GLY B 189
 None
 0.87A 2hs1B-1bouB:
0.0		 2hs1B-1bouB:
14.62
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.
1czv PROTEIN (COAGULATION
FACTOR V)

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 GLY A   6
ILE A 136
ILE A  68
ILE A  72
ILE A  60
 None
 0.77A 2hs1B-1czvA:
undetectable		 2hs1B-1czvA:
20.99
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.
1g0v PROTEASE A INHIBITOR
3
PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp)
PF10466
(Inhibitor_I34) 		5 ASP A  32
GLY A  34
ILE A  73
GLY B  21
ILE A 120
 None
 0.74A 2hs1B-1g0vA:
7.3		 2hs1B-1g0vA:
16.77
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 LEU A  23
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.99A 2hs1B-1hvcA:
18.0		 2hs1B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.43A 2hs1B-1hvcA:
18.0		 2hs1B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.56A 2hs1B-1hvcA:
18.0		 2hs1B-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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.87A 2hs1B-1mppA:
7.0		 2hs1B-1mppA:
14.13
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.
1pg7 MURINE ANTIBODY 6A6
FAB FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY X 106
ILE X  80
ILE X  48
VAL X  18
ILE X  20
 None
 0.92A 2hs1B-1pg7X:
undetectable		 2hs1B-1pg7X:
17.14
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.44A 2hs1B-1sivA:
18.4		 2hs1B-1sivA:
51.52
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 2hs1B-1u2eA:
undetectable		 2hs1B-1u2eA:
20.36
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.
1usv AHA1

(Saccharomyces
cerevisiae) 		PF09229
(Aha1_N) 		5 GLY B  34
ALA B  33
ILE B 127
ILE B  75
GLY B  77
 None
 0.67A 2hs1B-1usvB:
undetectable		 2hs1B-1usvB:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLY A 473
ILE A 488
ILE A 448
VAL A 479
ILE A 477
 None
 0.79A 2hs1B-1vbgA:
undetectable		 2hs1B-1vbgA:
8.66
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.87A 2hs1B-1w3fA:
undetectable		 2hs1B-1w3fA:
16.18
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.
1xbt THYMIDINE KINASE,
CYTOSOLIC

(Homo sapiens) 		PF00265
(TK) 		5 LEU A 137
ALA A 123
ILE A 105
ILE A  96
ILE A 136
 None
 0.88A 2hs1B-1xbtA:
undetectable		 2hs1B-1xbtA:
21.35
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 GLY A 211
ALA A 210
ILE A 125
GLY A 155
ILE A  41
 None
 0.68A 2hs1B-1y7wA:
undetectable		 2hs1B-1y7wA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zno HYPOTHETICAL UPF0244
PROTEIN VC0702

(Vibrio cholerae) 		PF01931
(NTPase_I-T) 		5 ARG A  74
GLY A  77
ALA A  78
VAL A  44
ILE A  14
 None
 0.79A 2hs1B-1znoA:
undetectable		 2hs1B-1znoA:
19.54
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) 		6 ASP A  25
ALA A  28
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.85A 2hs1B-2fmbA:
15.0		 2hs1B-2fmbA:
33.96
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
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)
 0.36A 2hs1B-2fmbA:
15.0		 2hs1B-2fmbA:
33.96
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.63A 2hs1B-2isqA:
undetectable		 2hs1B-2isqA:
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 133
GLY A 138
ILE A 142
ILE A 152
VAL A 131
 None
 0.84A 2hs1B-2oi6A:
undetectable		 2hs1B-2oi6A:
12.94
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 133
GLY A 138
ILE A 152
VAL A 131
ILE A 168
 None
 0.88A 2hs1B-2oi6A:
undetectable		 2hs1B-2oi6A:
12.94
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.
2orv THYMIDINE KINASE

(Homo sapiens) 		PF00265
(TK) 		5 LEU A 137
ALA A 123
ILE A 105
ILE A  96
ILE A 136
 None
 0.89A 2hs1B-2orvA:
undetectable		 2hs1B-2orvA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 250
GLY A 136
ALA A 135
ILE A 127
ILE A 261
 None
 0.85A 2hs1B-2p2sA:
undetectable		 2hs1B-2p2sA:
15.68
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		5 LEU A  64
ILE A 122
ILE A 139
VAL A  97
ILE A  99
 None
 0.92A 2hs1B-2qy1A:
undetectable		 2hs1B-2qy1A:
15.20
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  49
ILE A  50
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.47A 2hs1B-2rkfA:
20.6		 2hs1B-2rkfA:
83.84
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.44A 2hs1B-2rkfA:
20.6		 2hs1B-2rkfA:
83.84
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
LEU A  35
ASP A  37
ALA A  40
ILE A  44
ILE A 108
 None
 0.86A 2hs1B-2rspA:
12.7		 2hs1B-2rspA:
34.40
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 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A  44
ILE A 108
 None
 0.33A 2hs1B-2rspA:
12.7		 2hs1B-2rspA:
34.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 GLY G 621
ALA G 620
ILE G 617
GLY G 648
ILE G 676
 None
FMN  G3051 ( 4.7A)
None
None
None
 0.81A 2hs1B-2uv8G:
undetectable		 2hs1B-2uv8G:
4.29
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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		5 GLY A  28
ALA A  27
ILE A  66
GLY A  99
ILE A 102
 None
None
SAH  A 301 (-4.1A)
None
None
 0.85A 2hs1B-2wk1A:
undetectable		 2hs1B-2wk1A:
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.81A 2hs1B-2y23A:
undetectable		 2hs1B-2y23A:
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.
3ax6 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermotoga
maritima) 		PF02222
(ATP-grasp) 		5 LEU A  18
GLY A  13
ILE A 282
GLY A   5
ILE A  28
 None
 0.85A 2hs1B-3ax6A:
undetectable		 2hs1B-3ax6A:
15.76
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 0.89A 2hs1B-3ecdA:
undetectable		 2hs1B-3ecdA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 2hs1B-3fbsA:
undetectable		 2hs1B-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.
3flo DNA POLYMERASE ALPHA
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ALA A 666
ILE A 632
ILE A 430
VAL A 648
ILE A 650
 None
 0.72A 2hs1B-3floA:
undetectable		 2hs1B-3floA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  43
ILE A  66
GLY A  97
VAL A  37
ILE A  39
 None
 0.72A 2hs1B-3gazA:
undetectable		 2hs1B-3gazA:
14.86
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 LEU A 445
ILE A 498
GLY A 490
ILE A 463
ILE A 474
 None
 0.91A 2hs1B-3gq9A:
undetectable		 2hs1B-3gq9A:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.84A 2hs1B-3hh1A:
undetectable		 2hs1B-3hh1A:
22.58
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 712
ALA A 711
ILE A 665
GLY A 748
ILE A 661
 None
 0.90A 2hs1B-3hkzA:
undetectable		 2hs1B-3hkzA:
8.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5b WSPR RESPONSE
REGULATOR

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 ILE A 208
ILE A 236
GLY A 239
VAL A 300
ILE A 298
 None
 0.78A 2hs1B-3i5bA:
undetectable		 2hs1B-3i5bA:
22.10
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.
3i5c FUSION OF GENERAL
CONTROL PROTEIN GCN4
AND WSPR RESPONSE
REGULATOR PROTEIN

(Pseudomonas
aeruginosa;
Saccharomyces
cerevisiae) 		PF00990
(GGDEF) 		5 ILE A 208
ILE A 236
GLY A 239
VAL A 300
ILE A 298
 None
 0.78A 2hs1B-3i5cA:
undetectable		 2hs1B-3i5cA:
18.75
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 GLY A 288
ALA A 287
ILE A  44
ILE A   5
ILE A  33
 None
 0.83A 2hs1B-3ipcA:
undetectable		 2hs1B-3ipcA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.91A 2hs1B-3j7aH:
undetectable		 2hs1B-3j7aH:
16.27
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 ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.77A 2hs1B-3mwsA:
20.0		 2hs1B-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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.50A 2hs1B-3mwsA:
20.0		 2hs1B-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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.57A 2hs1B-3mwsA:
20.0		 2hs1B-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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		6 LEU A 334
ILE A 297
ILE A 312
GLY A 246
VAL A 325
ILE A 323
 None
 1.35A 2hs1B-3pv4A:
undetectable		 2hs1B-3pv4A:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.52A 2hs1B-3slzA:
11.2		 2hs1B-3slzA:
25.19
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ALA A 710
ILE A 665
ILE A 658
GLY A 707
ILE A 715
 None
 0.92A 2hs1B-3szeA:
undetectable		 2hs1B-3szeA:
7.25
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.61A 2hs1B-3t3cA:
18.4		 2hs1B-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) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
 0.74A 2hs1B-3t3cA:
18.4		 2hs1B-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.57A 2hs1B-3t3cA:
18.4		 2hs1B-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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
 0.70A 2hs1B-3t3cA:
18.4		 2hs1B-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) 		5 ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-3.4A)
None
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.76A 2hs1B-3ttpA:
19.5		 2hs1B-3ttpA:
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.54A 2hs1B-3ttpA:
19.5		 2hs1B-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
None
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.62A 2hs1B-3u7sA:
19.7		 2hs1B-3u7sA:
77.78
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.52A 2hs1B-3u7sA:
19.7		 2hs1B-3u7sA:
77.78
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
PRO A  81
VAL A  82
 None
 0.50A 2hs1B-3uhlA:
16.1		 2hs1B-3uhlA:
81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uiz CHIMERA PROTEIN OF
SEFD AND SEFA

(Salmonella
enterica) 		PF05775
(AfaD) 		5 ALA A 114
ILE A 112
ILE A  69
GLY A  82
ILE A  81
 None
 0.90A 2hs1B-3uizA:
undetectable		 2hs1B-3uizA:
21.52
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.
3vga ANTIBODY FAB
FRAGMENT HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY C 117
ILE C  81
ILE C  48
VAL C  18
ILE C  20
 None
 0.88A 2hs1B-3vgaC:
undetectable		 2hs1B-3vgaC:
15.17
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 GLY A 403
ILE A 458
ILE A 473
VAL A 412
ILE A 414
 None
 0.90A 2hs1B-3zppA:
undetectable		 2hs1B-3zppA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 LEU A 228
ILE A 576
ILE A 558
ILE A 485
ILE A 547
 None
 0.84A 2hs1B-4bx9A:
undetectable		 2hs1B-4bx9A:
12.10
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 GLY V1278
ILE V1407
ILE V1339
ILE V1343
ILE V1331
 None
 0.87A 2hs1B-4bxsV:
undetectable		 2hs1B-4bxsV:
5.31
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 LEU A 148
GLY A 191
ALA A 192
ILE A 137
GLY A 196
 None
 0.91A 2hs1B-4dwqA:
undetectable		 2hs1B-4dwqA:
12.78
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.92A 2hs1B-4ev4A:
undetectable		 2hs1B-4ev4A:
16.49
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.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 GLY A  64
ALA A  65
ILE A  81
ILE A 111
ILE A  58
 GLY  A  64 (-0.0A)
ALA  A  65 ( 0.0A)
ILE  A  81 ( 0.4A)
ILE  A 111 ( 0.7A)
ILE  A  58 ( 0.7A)
 0.78A 2hs1B-4g9kA:
undetectable		 2hs1B-4g9kA:
12.69
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 LEU A 542
GLY A 285
ALA A 284
ILE A 278
ILE A 539
 None
 0.93A 2hs1B-4jncA:
undetectable		 2hs1B-4jncA:
14.89
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.
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
 0.91A 2hs1B-4k5uB:
undetectable		 2hs1B-4k5uB:
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ARG A 371
GLY A 376
ALA A 377
ILE A 420
ILE A 414
 1PE  A 802 (-3.8A)
None
None
None
None
 0.90A 2hs1B-4ktpA:
undetectable		 2hs1B-4ktpA:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 GLY A 414
ILE A 469
ILE A 484
VAL A 423
ILE A 425
 None
 0.88A 2hs1B-4mr0A:
undetectable		 2hs1B-4mr0A:
10.39
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.
4n0v GLUTATHIONE
S-TRANSFERASE,
N-TERMINAL DOMAIN

(Marinobacter
hydrocarbonoclasticus) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		5 GLY A 173
ALA A 172
ILE A  17
ILE A 204
VAL A 165
 None
 0.90A 2hs1B-4n0vA:
undetectable		 2hs1B-4n0vA:
22.07
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
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 2hs1B-4njvA:
20.3		 2hs1B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 2hs1B-4njvA:
20.3		 2hs1B-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.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
PRO A 285
 None
 0.52A 2hs1B-4rghA:
10.4		 2hs1B-4rghA:
18.93
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.
4rx1 PUTATIVE RRNA
METHYLTRANSFERASE

(Sorangium
cellulosum) 		no annotation 5 LEU A 101
GLY A  96
ILE A  52
VAL A  31
ILE A  29
 None
 0.87A 2hs1B-4rx1A:
undetectable		 2hs1B-4rx1A:
25.00
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.
4uou FUCOSE-SPECIFIC
LECTIN FLEA

(Aspergillus
fumigatus) 		PF07938
(Fungal_lectin) 		5 LEU A 202
ILE A 205
ILE A 231
GLY A 162
ILE A 161
 None
None
None
None
CSX  A 111 ( 4.7A)
 0.59A 2hs1B-4uouA:
undetectable		 2hs1B-4uouA:
17.32
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 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.33A 2hs1B-4ydfA:
12.9		 2hs1B-4ydfA:
32.17
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.
5az3 ABC-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Corynebacterium
glutamicum) 		PF01497
(Peripla_BP_2) 		5 LEU A  99
GLY A 163
ILE A 180
VAL A 156
ILE A 158
 None
 0.90A 2hs1B-5az3A:
undetectable		 2hs1B-5az3A:
17.03
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 GLY A  27
ALA A  28
ILE A  32
PRO A  81
ILE A  84
 None
 0.50A 2hs1B-5b18A:
17.9		 2hs1B-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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 315
GLY C  53
ALA C  52
ILE C  46
ILE C 312
 None
 0.80A 2hs1B-5cw2C:
undetectable		 2hs1B-5cw2C:
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		5 ARG A 140
GLY A 186
ILE A 243
ILE A 135
ILE A 183
 None
 0.87A 2hs1B-5e25A:
undetectable		 2hs1B-5e25A:
17.54
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.
5ed8 MKIAA0668 PROTEIN

(Mus musculus) 		PF07738
(Sad1_UNC) 		5 LEU A 574
ALA A 593
ILE A 688
ILE A 676
ILE A 573
 None
 0.89A 2hs1B-5ed8A:
undetectable		 2hs1B-5ed8A:
18.92
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.
5eo7 PREDICTED PROTEIN

(Aspergillus
oryzae) 		PF07938
(Fungal_lectin) 		5 LEU A 202
ILE A 205
ILE A 231
GLY A 162
ILE A 161
 None
 0.61A 2hs1B-5eo7A:
undetectable		 2hs1B-5eo7A:
17.28
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.
5hva DR2231

(Deinococcus
radiodurans) 		PF01503
(PRA-PH) 		5 LEU A  39
GLY A  89
ALA A  90
GLY A  95
PRO A  33
 None
 0.88A 2hs1B-5hvaA:
undetectable		 2hs1B-5hvaA:
17.14
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.
5il5 MLND

(Bacillus
velezensis) 		PF14765
(PS-DH) 		5 GLY A1310
ALA A1309
ILE A1278
ILE A1303
ILE A1341
 None
 0.74A 2hs1B-5il5A:
undetectable		 2hs1B-5il5A:
15.44
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.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		5 GLY A 363
ILE A 118
ILE A 356
PRO A 147
VAL A 146
 None
 0.73A 2hs1B-5it1A:
undetectable		 2hs1B-5it1A:
14.11
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.54A 2hs1B-5t2zA:
20.2		 2hs1B-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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A   9
ILE A 111
ILE A 286
GLY A 116
ILE A 117
 FAD  A 401 ( 4.7A)
None
None
FAD  A 401 (-4.0A)
FAD  A 401 (-4.8A)
 0.74A 2hs1B-5twbA:
undetectable		 2hs1B-5twbA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE

(Klebsiella
pneumoniae) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  66
ILE A 109
GLY A 112
VAL A  28
ILE A  30
 None
 0.85A 2hs1B-5u4qA:
undetectable		 2hs1B-5u4qA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wpk 3-HYDROXY-3-METHYLGL
UTARYL COENZYME A
REDUCTASE

(Streptococcus
pneumoniae) 		no annotation 5 GLY A 182
ALA A 183
ILE A 209
GLY A 112
ILE A 111
 GOL  A 501 (-3.3A)
GOL  A 501 (-4.0A)
None
None
None
 0.88A 2hs1B-5wpkA:
undetectable		 2hs1B-5wpkA:
18.18
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.
5zgb PSAL

(Cyanidioschyzon
merolae) 		no annotation 5 LEU L  89
GLY L  51
ALA L 125
ILE L  83
ILE L  86
 BCR  L 205 (-3.7A)
None
None
None
None
 0.82A 2hs1B-5zgbL:
undetectable		 2hs1B-5zgbL:
23.47
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 ALA A 247
ILE A 227
ILE A 217
ILE A 239
VAL A 225
 None
None
None
None
FAD  A 601 (-4.2A)
 0.78A 2hs1B-6f72A:
undetectable		 2hs1B-6f72A:
19.59
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 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ILE A  37
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
 0.36A 2hs1B-6fivA:
15.6		 2hs1B-6fivA:
30.58
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 LEU A  28
ASP A  30
GLY A  32
ILE A  37
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
None
 0.61A 2hs1B-6fivA:
15.6		 2hs1B-6fivA:
30.58
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 LEU A 157
GLY A 124
ALA A 123
VAL A  76
ILE A  78
 None
 0.87A 2hs1B-6gh2A:
undetectable		 2hs1B-6gh2A:
21.21
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
LEU A  23
ASP A  25
GLY A  49
ILE A  50
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.95A 2hs1B-6upjA:
17.7		 2hs1B-6upjA:
50.51
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
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.64A 2hs1B-6upjA:
17.7		 2hs1B-6upjA:
50.51
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
 0.76A 2hs1B-6upjA:
17.7		 2hs1B-6upjA:
50.51
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
 0.59A 2hs1B-6upjA:
17.7		 2hs1B-6upjA:
50.51
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 LEU A  23
ASP A  25
GLY A  27
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.88A 2hs1B-6upjA:
17.7		 2hs1B-6upjA:
50.51