SIMILAR PATTERNS OF AMINO ACIDS FOR 3S56_A_ROCA201_1

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