SIMILAR PATTERNS OF AMINO ACIDS FOR 3S56_A_ROCA201

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.
1bkb TRANSLATION
INITIATION FACTOR 5A

(Pyrobaculum
aerophilum) 		PF01287
(eIF-5a)
PF08207
(EFP_N) 		5 ALA A  81
ASP A  95
ILE A 102
ILE A 135
ILE A  91
 None
 0.79A 3s56A-1bkbA:
undetectable		 3s56A-1bkbA:
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 165
ALA A 166
ILE A  42
GLY A 124
ILE A 169
 None
 1.06A 3s56A-1bucA:
undetectable		 3s56A-1bucA:
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLY A  34
VAL A  10
GLY A  19
ILE A  20
THR A 103
 None
 0.96A 3s56A-1c2oA:
undetectable		 3s56A-1c2oA:
10.57
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.
1czf POLYGALACTURONASE II

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 ILE A 107
GLY A 101
ILE A  73
THR A  78
ILE A  53
 None
 1.14A 3s56A-1czfA:
undetectable		 3s56A-1czfA:
15.48
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		5 ASP A 523
ASP A 522
VAL A 453
GLY A 540
ILE A 539
 None
 0.96A 3s56A-1fwxA:
undetectable		 3s56A-1fwxA:
11.19
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.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 GLY A 201
ASP A 203
ILE A 228
GLY A 185
ILE A 153
 None
 0.92A 3s56A-1g67A:
undetectable		 3s56A-1g67A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkg HEXOKINASE A

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ASP A 431
GLY A 432
ALA A 435
ILE A  79
ILE A  67
 None
 1.14A 3s56A-1hkgA:
undetectable		 3s56A-1hkgA:
12.43
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
GLY A  49
ILE A  50
THR A  80
PRO A  81
 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 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
 0.53A 3s56A-1hvcA:
13.6		 3s56A-1hvcA:
45.32
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
GLY A  49
ILE A  50
THR A  80
PRO A  81
 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 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 ( 3.4A)
 0.43A 3s56A-1hvcA:
13.6		 3s56A-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
 0.91A 3s56A-1hvcA:
13.6		 3s56A-1hvcA:
45.32
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.
1mmf GLYCEROL DEHYDRASE
BETA SUBUNIT

(Klebsiella
pneumoniae) 		PF02288
(Dehydratase_MU) 		5 ASP B  39
GLY B  35
ILE B  74
THR B 105
ILE B  97
 None
 1.10A 3s56A-1mmfB:
undetectable		 3s56A-1mmfB:
18.78
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
 0.89A 3s56A-1p2fA:
undetectable		 3s56A-1p2fA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.57A 3s56A-1q9pA:
9.9		 3s56A-1q9pA:
96.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
THR A  80
 None
 0.64A 3s56A-1q9pA:
9.9		 3s56A-1q9pA:
96.84
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		5 GLY A 168
ALA A 167
ILE A 264
THR A 256
PRO A 257
 None
 1.11A 3s56A-1qycA:
undetectable		 3s56A-1qycA:
15.21
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) 		6 ALA A  28
ASP A  29
ILE A  32
GLY A  48
THR A  80
PRO A  81
 None
 0.91A 3s56A-1sivA:
18.1		 3s56A-1sivA:
53.54
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) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.13A 3s56A-1sivA:
18.1		 3s56A-1sivA:
53.54
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  82
 None
 0.49A 3s56A-1sivA:
18.1		 3s56A-1sivA:
53.54
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.54A 3s56A-1sivA:
18.1		 3s56A-1sivA:
53.54
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A 244
ALA A 243
ILE A 259
GLY A 250
ILE A 143
 SO4  A 373 (-3.5A)
SO4  A 373 ( 4.2A)
None
None
None
 0.88A 3s56A-1to6A:
undetectable		 3s56A-1to6A:
16.57
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
ILE A 156
GLY A 296
ILE A 297
PRO A 221
 None
 1.09A 3s56A-1w3fA:
undetectable		 3s56A-1w3fA:
16.23
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.
1xe1 HYPOTHETICAL PROTEIN
PF0907

(Pyrococcus
furiosus) 		PF14578
(GTP_EFTU_D4) 		5 GLY A  66
ASP A  41
ILE A  43
VAL A  97
GLY A  60
 None
 1.10A 3s56A-1xe1A:
undetectable		 3s56A-1xe1A:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xjl ANNEXIN A2

(Homo sapiens) 		PF00191
(Annexin) 		5 GLY A 202
ALA A 201
ASP A 200
ASP A 197
ILE A 216
 CA  A 343 (-4.6A)
None
None
None
None
 1.15A 3s56A-1xjlA:
undetectable		 3s56A-1xjlA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xn9 30S RIBOSOMAL
PROTEIN S24E

(Methanosarcina
mazei) 		PF01282
(Ribosomal_S24e) 		5 ASP A  20
ASP A   8
ILE A   5
ILE A  52
ILE A  22
 None
 1.10A 3s56A-1xn9A:
undetectable		 3s56A-1xn9A:
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO)
PF04744
(Monooxygenase_B) 		5 GLY B 148
ASP B 132
ILE B 129
THR A 243
ILE A 244
 None
 1.07A 3s56A-1yewB:
undetectable		 3s56A-1yewB:
16.05
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.
2b8t THYMIDINE KINASE

(Ureaplasma
parvum) 		PF00265
(TK) 		5 ALA A 143
ASP A 144
ILE A  95
THR A  18
ILE A 136
 None
 1.05A 3s56A-2b8tA:
undetectable		 3s56A-2b8tA:
19.63
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
GLY A  27
ALA A  28
ASP A  29
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.36A 3s56A-2fmbA:
14.6		 3s56A-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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 GLY A 171
ALA A 170
ASP A 169
ILE A  73
THR A  58
 None
 0.85A 3s56A-2h8xA:
undetectable		 3s56A-2h8xA:
16.71
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.
2ijr HYPOTHETICAL PROTEIN
API92

(Yersinia
pseudotuberculosis) 		PF06924
(DUF1281) 		5 GLY A 269
ALA A 243
ASP A 246
PRO A 174
ILE A 173
 None
 0.97A 3s56A-2ijrA:
undetectable		 3s56A-2ijrA:
17.97
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.
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)
 0.71A 3s56A-2isqA:
undetectable		 3s56A-2isqA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pd3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		5 GLY A 137
ALA A 138
ASP A  86
ILE A  88
THR A 127
 None
 0.90A 3s56A-2pd3A:
undetectable		 3s56A-2pd3A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 196
ALA A 183
VAL A  42
ILE A 223
ILE A 215
 None
 1.03A 3s56A-2r9hA:
undetectable		 3s56A-2r9hA:
13.98
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
 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 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.54A 3s56A-2rkfA:
19.9		 3s56A-2rkfA:
84.85
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) 		6 ASP A  29
ASP A  30
ILE A  32
GLY A  48
THR A  80
PRO A  81
 AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
None
AB1  A 501 (-4.2A)
 0.90A 3s56A-2rkfA:
19.9		 3s56A-2rkfA:
84.85
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  44
 None
 0.28A 3s56A-2rspA:
12.1		 3s56A-2rspA:
33.60
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.
3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1

(Homo sapiens) 		PF01287
(eIF-5a) 		5 GLY A 130
ASP A 128
ILE A 123
GLY A  93
ILE A  92
 UNX  A   4 ( 3.7A)
None
None
None
None
 1.08A 3s56A-3cpfA:
undetectable		 3s56A-3cpfA:
21.90
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.
3d7l LIN1944 PROTEIN

(Listeria
innocua) 		PF13561
(adh_short_C2) 		5 GLY A  30
ALA A  29
ASP A  35
ILE A  27
ILE A  59
 None
 1.09A 3s56A-3d7lA:
undetectable		 3s56A-3d7lA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 211
ALA A 212
ASP A 214
GLY A 192
ILE A 240
 None
 0.85A 3s56A-3fsrA:
undetectable		 3s56A-3fsrA:
15.81
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 GLY A  84
ILE A 120
GLY A 263
ILE A  47
ILE A 109
 None
 0.99A 3s56A-3huuA:
undetectable		 3s56A-3huuA:
15.69
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A  16
ALA A  17
ASP A  21
GLY A 126
ILE A 125
 None
 0.98A 3s56A-3mmpA:
undetectable		 3s56A-3mmpA:
10.02
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.60A 3s56A-3mwsA:
19.1		 3s56A-3mwsA:
76.77
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.49A 3s56A-3mwsA:
19.1		 3s56A-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 None
 0.91A 3s56A-3mwsA:
19.1		 3s56A-3mwsA:
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.
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
 None
None
None
None
BEF  A 402 (-3.2A)
 0.92A 3s56A-3nnnA:
undetectable		 3s56A-3nnnA:
17.74
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
None
None
None
BEF  A 402 (-3.6A)
 0.82A 3s56A-3nnsA:
undetectable		 3s56A-3nnsA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
None
 0.78A 3s56A-3t3cA:
17.7		 3s56A-3t3cA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
 0.46A 3s56A-3t3cA:
17.7		 3s56A-3t3cA:
72.73
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.36A 3s56A-3t3cA:
17.7		 3s56A-3t3cA:
72.73
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
 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
 0.35A 3s56A-3t3cA:
17.7		 3s56A-3t3cA:
72.73
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
PRO A  81
 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 (-3.3A)
None
017  A 201 (-4.1A)
 0.61A 3s56A-3ttpA:
18.8		 3s56A-3ttpA:
78.79
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.57A 3s56A-3ttpA:
18.8		 3s56A-3ttpA:
78.79
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
VAL A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.61A 3s56A-3ttpA:
18.8		 3s56A-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 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)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
017  A 202 (-4.0A)
 0.58A 3s56A-3u7sA:
18.9		 3s56A-3u7sA:
76.77
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 ALA A  28
ASP A  29
ILE A  32
THR A  80
PRO A  81
 None
 0.62A 3s56A-3uhlA:
15.4		 3s56A-3uhlA:
81.82
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
ILE A  32
THR A  80
 None
 0.39A 3s56A-3uhlA:
15.4		 3s56A-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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  33
ALA A  89
GLY A 292
ILE A 293
ILE A  67
 None
 0.87A 3s56A-3vcnA:
undetectable		 3s56A-3vcnA:
12.47
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 1.01A 3s56A-3w2iA:
undetectable		 3s56A-3w2iA:
15.93
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.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 ILE A 133
VAL A 125
GLY A 104
THR A 130
PRO A 175
 None
None
None
None
VNL  A 401 (-4.0A)
 0.87A 3s56A-4eygA:
undetectable		 3s56A-4eygA:
15.54
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.
4izk YELLOWTAIL ASCITES
VIRUS (YAV) VP4
PROTEASE

(Yellowtail
ascites virus) 		PF01768
(Birna_VP4) 		5 GLY A 687
ASP A 693
ILE A 543
PRO A 650
ILE A 706
 None
 1.06A 3s56A-4izkA:
undetectable		 3s56A-4izkA:
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		5 GLY A 126
ALA A 125
VAL A 179
GLY A 134
ILE A   9
 None
 1.02A 3s56A-4nbvA:
undetectable		 3s56A-4nbvA:
17.27
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
THR A  80
PRO A  81
 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)
 0.57A 3s56A-4njvA:
19.5		 3s56A-4njvA:
82.83
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
GLY A  49
ILE A  50
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.47A 3s56A-4njvA:
19.5		 3s56A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.92A 3s56A-4njvA:
19.5		 3s56A-4njvA:
82.83
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.
4nte DEPH

(Chromobacterium
violaceum) 		PF07992
(Pyr_redox_2) 		5 GLY A 287
ALA A 286
GLY A 281
ILE A 280
THR A 270
 None
 1.11A 3s56A-4nteA:
undetectable		 3s56A-4nteA:
14.74
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.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
GLY A 252
 None
 0.79A 3s56A-4rghA:
10.2		 3s56A-4rghA:
19.53
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.
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 3s56A-4rghA:
10.2		 3s56A-4rghA:
19.53
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.78A 3s56A-4ttpA:
undetectable		 3s56A-4ttpA:
15.81
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 599
ALA A 600
ASP A 601
ILE A 566
THR A 582
 PO4  A 804 (-3.9A)
None
None
None
None
 1.06A 3s56A-4u1rA:
undetectable		 3s56A-4u1rA:
10.08
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 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  56
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
 0.51A 3s56A-4ydfA:
12.3		 3s56A-4ydfA:
33.04
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 ASP A  32
GLY A  34
ALA A  35
VAL A  56
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.64A 3s56A-4ydfA:
12.3		 3s56A-4ydfA:
33.04
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 252
ASP A 153
ILE A 151
ILE A 317
ILE A 249
 None
 1.01A 3s56A-4z2aA:
undetectable		 3s56A-4z2aA:
12.36
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 ASP A  29
ASP A  30
ILE A  32
VAL A  47
THR A  80
PRO A  81
 None
 0.75A 3s56A-5b18A:
17.0		 3s56A-5b18A:
75.76
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
ASP A  29
ASP A  30
GLY A  49
 None
 0.67A 3s56A-5b18A:
17.0		 3s56A-5b18A:
75.76
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) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
THR A  80
 None
 0.53A 3s56A-5b18A:
17.0		 3s56A-5b18A:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A 218
ALA A 217
ASP A 216
PRO A 255
ILE A 254
 None
 1.01A 3s56A-5c41A:
undetectable		 3s56A-5c41A:
15.77
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		5 ALA A 154
VAL A 140
GLY A 137
ILE A 136
ILE A  89
 None
 1.02A 3s56A-5cejA:
undetectable		 3s56A-5cejA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 GLY N 117
ILE N 176
GLY N  53
ILE N  43
ILE N  15
 None
 0.94A 3s56A-5fmgN:
undetectable		 3s56A-5fmgN:
15.97
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.
5fux THYMDINE KINASE

(Trypanosoma
brucei) 		PF00265
(TK) 		5 GLY A 287
ASP A 285
ILE A 308
ILE A 211
ILE A 207
 None
MG  A1385 ( 4.3A)
None
None
None
 0.93A 3s56A-5fuxA:
undetectable		 3s56A-5fuxA:
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 GLY A 459
ALA A 455
ASP A 461
GLY A 439
ILE A 432
 None
 1.11A 3s56A-5gjeA:
undetectable		 3s56A-5gjeA:
10.68
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 GLY A 364
ALA A 365
ASP A 389
VAL A 409
ILE A 357
 None
 1.06A 3s56A-5iuwA:
undetectable		 3s56A-5iuwA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		5 GLY A 229
ALA A 230
ASP A 205
PRO A 234
ILE A  32
 None
 1.13A 3s56A-5jjpA:
undetectable		 3s56A-5jjpA:
10.78
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 220
ALA A 171
ILE A 215
GLY A 206
ILE A 205
 None
 0.80A 3s56A-5ldnA:
undetectable		 3s56A-5ldnA:
7.80
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.
5mp4 PROTOPLAST SECRETED
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		5 GLY A 109
VAL A 183
GLY A 188
ILE A  26
THR A  18
 None
 0.92A 3s56A-5mp4A:
undetectable		 3s56A-5mp4A:
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 GLY N 698
ALA N 699
GLY N 704
ILE N 705
ILE N 678
 None
 0.79A 3s56A-5mpdN:
undetectable		 3s56A-5mpdN:
6.34
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.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2

(Homo sapiens) 		no annotation 5 GLY A 741
ALA A 740
ASP A 739
ASP A 736
ILE A 755
 CA  A 905 (-4.7A)
None
None
None
None
 1.08A 3s56A-5n7fA:
undetectable		 3s56A-5n7fA:
13.43
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 ASP A  23
ILE A  52
VAL A  27
GLY A  18
ILE A  87
 MN  A 401 (-2.0A)
None
None
None
None
 0.98A 3s56A-5o25A:
undetectable		 3s56A-5o25A:
17.15
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.61A 3s56A-5t2zA:
19.7		 3s56A-5t2zA:
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 GLY C 175
ALA C 232
VAL C 154
PRO C 186
ILE C 185
 None
None
None
None
A  2   1 ( 4.5A)
 0.82A 3s56A-5xyiC:
undetectable		 3s56A-5xyiC:
20.95
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.
6b5e GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  45
ALA A  44
VAL A 105
GLY A   3
ILE A 126
 None
 1.12A 3s56A-6b5eA:
undetectable		 3s56A-6b5eA:
24.75
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 GLY A 396
ALA A 360
ILE A 206
VAL A  33
GLY A 381
 None
 1.01A 3s56A-6cc2A:
undetectable		 3s56A-6cc2A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  30
GLY A  32
ALA A  33
ASP A  34
ILE A  37
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
 0.44A 3s56A-6fivA:
14.8		 3s56A-6fivA:
29.06
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
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.73A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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) 		7 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
None
 0.67A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  82
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
NIU  A 100 (-4.6A)
 0.65A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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) 		7 ASP A  25
GLY A  27
ALA A  28
ILE A  32
VAL A  47
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.61A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 None
 1.12A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.90A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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 GLY A  27
ASP A  29
ASP A  30
ILE A  50
THR A  80
PRO A  81
 NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
None
None
 0.73A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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 GLY A  27
ILE A  32
ILE A  50
THR A  80
PRO A  81
 NIU  A 100 (-4.5A)
None
NIU  A 100 (-3.9A)
None
None
 0.66A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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 ILE A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.71A 3s56A-6upjA:
17.4		 3s56A-6upjA:
52.53
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.
1e5u INTIMIN

(Escherichia
coli) 		PF02368
(Big_2)
PF07979
(Intimin_C) 		5 LEU I  20
ASP I   5
GLY I  58
ILE I  11
ILE I   9
 None
 1.13A 3s56B-1e5uI:
undetectable		 3s56B-1e5uI:
20.21
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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 334
GLY A 225
PRO A 538
ILE A 539
ILE A 337
 None
 1.12A 3s56B-1ebvA:
undetectable		 3s56B-1ebvA:
11.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.34A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.36A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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) 		8 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.57A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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) 		8 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.55A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  30
ILE A  84
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.01A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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
ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.92A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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.
1j3u ASPARTASE

(Bacillus sp.
YM55-1) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 295
ASP A 294
GLY A 185
ILE A 195
ILE A 309
 None
 1.04A 3s56B-1j3uA:
undetectable		 3s56B-1j3uA:
13.44
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLY A 139
ILE A 183
PRO A 235
ILE A 242
ILE A 237
 None
 1.10A 3s56B-1k32A:
undetectable		 3s56B-1k32A:
6.59
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 319
ILE A 302
PRO A 337
ILE A 338
ILE A 322
 None
 0.88A 3s56B-1s5jA:
undetectable		 3s56B-1s5jA:
9.23
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.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 ARG A 137
LEU A  99
GLY A  50
ILE A  51
ILE A 104
 None
 1.11A 3s56B-1s5pA:
undetectable		 3s56B-1s5pA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 1.28A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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) 		8 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.75A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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) 		5 ASP A  25
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.80A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
ILE A  82
ILE A  84
 None
 1.32A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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) 		8 LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.79A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		5 LEU A  96
GLY A 147
ILE A 146
PRO A  92
ILE A  94
 None
DKA  A 301 (-4.0A)
None
None
None
 1.04A 3s56B-1w66A:
undetectable		 3s56B-1w66A:
17.17
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.
1wg6 HYPOTHETICAL PROTEIN
(RIKEN CDNA
2810455B10)

(Mus musculus) 		PF00595
(PDZ) 		5 LEU A 116
GLY A  66
ILE A  63
ILE A 114
ILE A  29
 None
 1.09A 3s56B-1wg6A:
undetectable		 3s56B-1wg6A:
21.88
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASP A 256
ILE A 214
PRO A 204
ILE A 202
ILE A  17
 None
 1.08A 3s56B-1wl4A:
undetectable		 3s56B-1wl4A:
14.07
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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 LEU A 190
ASP A  50
GLY A 251
ILE A 247
ILE A 260
 None
 1.09A 3s56B-1zg4A:
undetectable		 3s56B-1zg4A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ASP A 275
GLY A 233
ILE A 232
PRO A 250
ILE A 252
 None
 1.11A 3s56B-2b5mA:
undetectable		 3s56B-2b5mA:
6.07
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.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 LEU A 152
ASP A 108
GLY A 127
ILE A 125
ILE A 156
 None
 1.01A 3s56B-2cjaA:
undetectable		 3s56B-2cjaA:
11.00
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.
2ddu REELIN

(Mus musculus) 		no annotation 5 LEU A1302
GLY A1338
PRO A1377
ILE A1376
ILE A1374
 None
 0.99A 3s56B-2dduA:
undetectable		 3s56B-2dduA:
13.78
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 ARG A   8
LEU A  23
ASP A  25
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.41A 3s56B-2fmbA:
14.9		 3s56B-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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  60
GLY A  40
ILE A 102
ILE A  56
ILE A  57
 None
 1.11A 3s56B-2gl5A:
undetectable		 3s56B-2gl5A:
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 396
GLY A  46
PRO A   9
ILE A  10
ILE A 397
 None
 1.05A 3s56B-2i4nA:
undetectable		 3s56B-2i4nA:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Sulfolobus
solfataricus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU A 308
GLY A 140
ILE A 141
ILE A 307
ILE A 304
 None
 1.10A 3s56B-2izoA:
undetectable		 3s56B-2izoA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 LEU A 240
GLY A 327
ILE A 325
ILE A 245
ILE A 235
 None
YE1  A 997 (-3.4A)
None
None
YE1  A 997 (-3.3A)
 1.12A 3s56B-2pg8A:
undetectable		 3s56B-2pg8A:
14.14
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
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 1.30A 3s56B-2rkfA:
20.3		 3s56B-2rkfA:
84.85
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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.47A 3s56B-2rkfA:
20.3		 3s56B-2rkfA:
84.85
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 ASP A 467
GLY A 471
ILE A 448
ILE A 396
ILE A 465
 None
 0.98A 3s56B-2vwbA:
undetectable		 3s56B-2vwbA:
13.32
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		5 GLY A 138
ILE A 179
PRO A 213
ILE A 208
ILE A 207
 None
 1.12A 3s56B-2yvtA:
undetectable		 3s56B-2yvtA:
19.69
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.
2ze5 ISOPENTENYL
TRANSFERASE

(Agrobacterium
tumefaciens) 		PF01745
(IPT) 		5 LEU A 203
ASP A 173
GLY A  44
ILE A 204
ILE A 207
 None
AMP  A 401 (-4.0A)
None
None
None
 1.10A 3s56B-2ze5A:
undetectable		 3s56B-2ze5A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3duz MAJOR ENVELOPE
GLYCOPROTEIN

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF03273
(Baculo_gp64) 		5 LEU A 102
GLY A 438
ILE A 442
ILE A 212
ILE A  65
 None
 0.95A 3s56B-3duzA:
undetectable		 3s56B-3duzA:
12.31
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 479
GLY A 400
ILE A 399
ILE A 418
ILE A 480
 None
 1.04A 3s56B-3e2sA:
undetectable		 3s56B-3e2sA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xanthomonas
citri) 		PF00011
(HSP20) 		5 ASP A 118
GLY A  76
ILE A  77
ILE A 131
ILE A 120
 None
 0.91A 3s56B-3glaA:
undetectable		 3s56B-3glaA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ARG A 106
LEU A 103
ILE A 118
ILE A  77
ILE A  99
 None
 0.92A 3s56B-3h2zA:
undetectable		 3s56B-3h2zA:
12.43
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.
3hvu HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
anthracis) 		PF00156
(Pribosyltran) 		5 LEU A  37
ASP A  63
ILE A  82
ILE A  95
ILE A  39
 None
 0.99A 3s56B-3hvuA:
undetectable		 3s56B-3hvuA:
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 160
GLY A 185
ILE A 186
ILE A 178
ILE A 215
 None
 0.95A 3s56B-3igoA:
undetectable		 3s56B-3igoA:
9.75
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.
3k4h PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Bacillus
cytotoxicus) 		PF13377
(Peripla_BP_3) 		5 LEU A  88
GLY A  99
ILE A  98
ILE A  84
ILE A  85
 None
MAL  A 501 (-3.3A)
MAL  A 501 (-4.8A)
None
None
 0.95A 3s56B-3k4hA:
undetectable		 3s56B-3k4hA:
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 LEU A  14
ASP A 130
GLY A 113
ILE A 160
ILE A 153
 None
 1.09A 3s56B-3mi6A:
undetectable		 3s56B-3mi6A:
9.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 0.84A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.19A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
76.77
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 LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 None
 0.58A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.47A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
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.
3o03 DEHYDROGENASE WITH
DIFFERENT
SPECIFICITIES

(Streptococcus
suis) 		PF13561
(adh_short_C2) 		5 LEU A 235
ASP A 234
GLY A 260
ILE A 261
ILE A 191
 None
 0.97A 3s56B-3o03A:
undetectable		 3s56B-3o03A:
17.39
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.
3o4l T-CELL RECEPTOR,
ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 LEU D  75
ASP D  79
GLY D  83
ILE D  21
ILE D  77
 None
 0.94A 3s56B-3o4lD:
undetectable		 3s56B-3o4lD:
15.71
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 ARG B 343
LEU B 408
ILE B 541
ILE B 405
ILE B 409
 CL  B1131 (-3.8A)
None
None
None
None
 1.04A 3s56B-3p8cB:
undetectable		 3s56B-3p8cB:
6.87
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 152
GLY A 177
ILE A 178
ILE A 170
ILE A 207
 None
 1.07A 3s56B-3q5iA:
undetectable		 3s56B-3q5iA:
11.31
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A  81
GLY A  54
PRO A  29
ILE A  30
ILE A  27
 None
CA  A 405 ( 4.5A)
None
None
None
 1.00A 3s56B-3rzaA:
undetectable		 3s56B-3rzaA:
15.04
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A 342
GLY A 144
ILE A 145
ILE A 350
ILE A  44
 None
 1.11A 3s56B-3sqzA:
undetectable		 3s56B-3sqzA:
13.41
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) 		6 LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.73A 3s56B-3t3cA:
18.4		 3s56B-3t3cA:
72.73
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.23A 3s56B-3ttpA:
19.2		 3s56B-3ttpA:
78.79
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) 		8 ARG A   8
LEU A  23
ASP A  25
ASP A  30
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 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.65A 3s56B-3ttpA:
19.2		 3s56B-3ttpA:
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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		6 ARG A  81
ASP A   8
GLY A  22
ILE A  24
ILE A  77
ILE A  95
 None
None
TPO  A  18 ( 3.7A)
None
None
None
 1.50A 3s56B-3u02A:
undetectable		 3s56B-3u02A:
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 LEU A 404
ASP A 448
GLY A 422
ILE A 403
ILE A 400
 None
 1.02A 3s56B-3u5uA:
undetectable		 3s56B-3u5uA:
11.26
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.32A 3s56B-3u7sA:
19.5		 3s56B-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.50A 3s56B-3u7sA:
19.5		 3s56B-3u7sA:
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 ASP A 229
ASP A 755
GLY A 748
ILE A 227
ILE A 228
 None
 1.10A 3s56B-3ummA:
undetectable		 3s56B-3ummA:
6.09
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		5 LEU A  43
ASP A  76
ILE A  99
ILE A   7
ILE A  51
 None
 1.05A 3s56B-4asyA:
undetectable		 3s56B-4asyA:
17.89
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.
4hly K9

(Human
gammaherpesvirus
8) 		PF00605
(IRF) 		5 LEU A  82
GLY A  61
ILE A  57
ILE A  10
ILE A   6
 None
 1.06A 3s56B-4hlyA:
undetectable		 3s56B-4hlyA:
16.15
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 LEU A 265
GLY A 304
ILE A 305
ILE A 269
ILE A 335
 None
 1.08A 3s56B-4hxxA:
undetectable		 3s56B-4hxxA:
13.44
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 ASP A  12
GLY A 102
ILE A 130
ILE A 176
ILE A 126
 None
 1.10A 3s56B-4i4iA:
undetectable		 3s56B-4i4iA:
15.31
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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 LEU A 265
GLY A 304
ILE A 305
ILE A 269
ILE A 335
 None
 1.11A 3s56B-4iu6A:
undetectable		 3s56B-4iu6A:
12.47
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ASP A 346
GLY A 390
ILE A 313
ILE A 218
ILE A 220
 None
 1.00A 3s56B-4j3bA:
undetectable		 3s56B-4j3bA:
6.59
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 LEU E 336
GLY E  19
ILE E  17
ILE E 316
ILE E 335
 None
FAD  E 505 (-3.2A)
None
None
None
 1.01A 3s56B-4kprE:
undetectable		 3s56B-4kprE:
11.78
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.
4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A  65
GLY A 176
PRO A 131
ILE A 130
ILE A 156
 None
 1.01A 3s56B-4lc3A:
undetectable		 3s56B-4lc3A:
14.06
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.
4lob POLYPRENYL
SYNTHETASE

(Acinetobacter
baumannii) 		PF00348
(polyprenyl_synt) 		5 ASP A 129
GLY A  27
ILE A  28
ILE A  77
ILE A  76
 None
 0.92A 3s56B-4lobA:
undetectable		 3s56B-4lobA:
17.38
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.
4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 174
GLY A 307
ILE A 309
ILE A 170
ILE A 175
 None
 0.91A 3s56B-4mioA:
undetectable		 3s56B-4mioA:
18.66
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.30A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.72A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
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 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 479
GLY A 400
ILE A 399
ILE A 418
ILE A 480
 None
 1.09A 3s56B-4o8aA:
undetectable		 3s56B-4o8aA:
11.01
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 335
GLY A 226
PRO A 539
ILE A 540
ILE A 338
 None
 1.10A 3s56B-4ph9A:
undetectable		 3s56B-4ph9A:
13.01
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 461
GLY A 377
ILE A 369
ILE A 444
ILE A 478
 None
 1.12A 3s56B-4r1dA:
undetectable		 3s56B-4r1dA:
12.21
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 0.88A 3s56B-4tnbA:
undetectable		 3s56B-4tnbA:
13.91
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.
4xz6 GLYCINE
BETAINE/PROLINE ABC
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF04069
(OpuAC) 		5 ASP A  46
GLY A  93
PRO A  51
ILE A  50
ILE A  48
 None
 0.99A 3s56B-4xz6A:
undetectable		 3s56B-4xz6A:
15.02
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
LEU A  30
ASP A  32
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.56A 3s56B-4ydfA:
12.9		 3s56B-4ydfA:
33.04
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 LEU A   9
ASP A 648
GLY A 655
ILE A 474
ILE A 476
 None
 1.02A 3s56B-5czzA:
undetectable		 3s56B-5czzA:
7.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzz DESMOPLAKIN

(Homo sapiens) 		PF00681
(Plectin) 		5 ASP A2060
GLY A2020
ILE A2018
ILE A2086
ILE A2058
 None
 1.00A 3s56B-5dzzA:
undetectable		 3s56B-5dzzA:
11.94
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE 2,
PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU B  87
GLY B 211
ILE B 221
ILE B  68
ILE B  74
 None
 1.11A 3s56B-5fmgB:
undetectable		 3s56B-5fmgB:
19.07
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP B1101
GLY B 977
ILE B 976
ILE A 370
ILE B1103
 None
 1.06A 3s56B-5ip9B:
undetectable		 3s56B-5ip9B:
6.03
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
 1.27A 3s56B-5t2zA:
19.6		 3s56B-5t2zA:
78.79
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) 		8 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.58A 3s56B-5t2zA:
19.6		 3s56B-5t2zA:
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.
5vxl INVASIN IPAD

(Shigella
flexneri) 		PF06511
(IpaD) 		5 LEU A 202
GLY A 235
ILE A 234
PRO A 252
ILE A 253
 None
 1.11A 3s56B-5vxlA:
undetectable		 3s56B-5vxlA:
17.25
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 ARG A 235
ASP A 249
ILE A 197
ILE A 253
ILE A 251
 None
 1.11A 3s56B-5w3wA:
undetectable		 3s56B-5w3wA:
24.53
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.
5wxu 11S GLOBULIN

(Wrightia
tinctoria) 		no annotation 5 LEU A 162
GLY A 111
ILE A 112
ILE A 295
ILE A 160
 None
None
None
FLC  A 503 (-3.9A)
None
 1.11A 3s56B-5wxuA:
undetectable		 3s56B-5wxuA:
20.62
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.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 5 LEU A 126
ASP A 183
ILE A 153
PRO A 179
ILE A 173
 None
 1.05A 3s56B-5x1tA:
undetectable		 3s56B-5x1tA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP B1101
GLY B 977
ILE B 976
ILE A 371
ILE B1103
 None
 0.95A 3s56B-5xogB:
undetectable		 3s56B-5xogB:
6.13
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 LEU A 629
ASP A 101
GLY A 433
ILE A 412
ILE A 634
 None
 1.06A 3s56B-5y9dA:
undetectable		 3s56B-5y9dA:
17.17
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 LEU A 348
ASP A 352
GLY A 320
ILE A 334
ILE A 375
 None
 1.00A 3s56B-6bzcA:
undetectable		 3s56B-6bzcA:
19.05
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.
6g9o VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 LEU A 669
ILE A 606
PRO A 655
ILE A 654
ILE A 651
 None
 0.97A 3s56B-6g9oA:
undetectable		 3s56B-6g9oA:
20.00
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 LEU A 820
ASP A 876
ILE A 903
ILE A 891
ILE A 886
 None
 1.05A 3s56B-6gh2A:
undetectable		 3s56B-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) 		7 ARG A   8
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.90A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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
ASP A  30
PRO A  81
ILE A  82
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 (-4.6A)
None
 1.10A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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  30
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
None
None
NIU  A 100 (-4.6A)
None
 0.84A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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) 		7 LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.75A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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
ASP A  30
PRO A  81
ILE A  82
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 (-4.6A)
None
 0.88A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53