SIMILAR PATTERNS OF AMINO ACIDS FOR 1C6Y_B_MK1B524

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 449
ALA B 413
ILE B 503
GLY B 499
ILE B 445
 None
 0.94A 1c6yA-1a6dB:
undetectable		 1c6yA-1a6dB:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 LEU A 356
ILE A 190
GLY A 192
ILE A 166
ILE A 355
 None
 0.87A 1c6yA-1eljA:
undetectable		 1c6yA-1eljA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  61
ILE A 298
GLY A 320
ILE A 322
THR A 247
 FMN  A1337 (-3.4A)
None
None
None
ORO  A1338 ( 2.6A)
 0.88A 1c6yA-1f76A:
undetectable		 1c6yA-1f76A:
17.13
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.88A 1c6yA-1gaeO:
undetectable		 1c6yA-1gaeO:
15.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.90A 1c6yA-1hvcA:
13.6		 1c6yA-1hvcA:
44.83
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
ALA A  28
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.87A 1c6yA-1hvcA:
13.6		 1c6yA-1hvcA:
44.83
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 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.50A 1c6yA-1hvcA:
13.6		 1c6yA-1hvcA:
44.83
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 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.60A 1c6yA-1hvcA:
13.6		 1c6yA-1hvcA:
44.83
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		6 VAL H 176
ILE H 178
GLY H 102
ILE H 101
THR H  16
ILE H  34
 None
 1.12A 1c6yA-1j2qH:
undetectable		 1c6yA-1j2qH:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 LEU A  71
ASP A  67
ILE A 171
ILE A  59
ILE A  70
 None
 0.90A 1c6yA-1jqeA:
undetectable		 1c6yA-1jqeA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A 161
ILE A 200
GLY A 202
ILE A 141
ILE A 180
 None
 0.96A 1c6yA-1lk5A:
undetectable		 1c6yA-1lk5A:
19.21
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.86A 1c6yA-1o5wA:
undetectable		 1c6yA-1o5wA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 ARG Q 338
ALA Q 356
GLY Q 109
ILE Q 108
ILE Q 195
 None
 0.87A 1c6yA-1oh2Q:
undetectable		 1c6yA-1oh2Q:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1l PERIPLASMIC DIVALENT
CATION TOLERANCE
PROTEIN CUTA

(Archaeoglobus
fulgidus) 		PF03091
(CutA1) 		5 ALA A   9
VAL A  70
ILE A  81
ILE A  55
ILE A  18
 None
 0.93A 1c6yA-1p1lA:
undetectable		 1c6yA-1p1lA:
18.18
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
ALA A  28
VAL A  32
PRO A  81
ILE A  84
 None
 0.53A 1c6yA-1q9pA:
11.1		 1c6yA-1q9pA:
86.32
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
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.63A 1c6yA-1sivA:
18.1		 1c6yA-1sivA:
50.51
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 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.85A 1c6yA-1sivA:
18.1		 1c6yA-1sivA:
50.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 276
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
 0.86A 1c6yA-1v5fA:
undetectable		 1c6yA-1v5fA:
10.28
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.
1vl7 HYPOTHETICAL PROTEIN
ALR5027

(Nostoc sp. PCC
7120) 		PF01243
(Putative_PNPOx) 		5 ALA A  37
VAL A  69
ILE A  47
THR A  25
ILE A  23
 None
 0.96A 1c6yA-1vl7A:
undetectable		 1c6yA-1vl7A:
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.
2afv COBALAMIN
BIOSYNTHESIS
PRECORRIN ISOMERASE

(Leptospira
interrogans) 		PF02570
(CbiC) 		5 ILE A 194
GLY A 165
ILE A 139
PRO A 160
ILE A 136
 None
 0.95A 1c6yA-2afvA:
undetectable		 1c6yA-2afvA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aw0 MENKES
COPPER-TRANSPORTING
ATPASE

(Homo sapiens) 		PF00403
(HMA) 		5 LEU A  70
ALA A  68
ILE A  21
THR A   5
ILE A   7
 None
 0.95A 1c6yA-2aw0A:
undetectable		 1c6yA-2aw0A:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 LEU A  52
VAL A  89
ILE A 119
ILE A 248
ILE A 291
 None
 0.95A 1c6yA-2cl2A:
undetectable		 1c6yA-2cl2A:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxx PROBABLE GTP-BINDING
PROTEIN ENGB

(Pyrococcus
horikoshii) 		PF01926
(MMR_HSR1) 		5 LEU A 118
ALA A  80
ILE A  49
THR A 125
ILE A 123
 None
 0.97A 1c6yA-2cxxA:
undetectable		 1c6yA-2cxxA:
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.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  79
VAL A  58
ILE A  71
THR A  84
ILE A  82
 None
 0.89A 1c6yA-2eklA:
undetectable		 1c6yA-2eklA:
18.24
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  53
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.80A 1c6yA-2fmbA:
15.2		 1c6yA-2fmbA:
29.81
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  54
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.85A 1c6yA-2fmbA:
15.2		 1c6yA-2fmbA:
29.81
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.65A 1c6yA-2fmbA:
15.2		 1c6yA-2fmbA:
29.81
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.81A 1c6yA-2q0lA:
undetectable		 1c6yA-2q0lA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpz NAPHTHALENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT

(Pseudomonas
putida) 		PF00355
(Rieske) 		5 LEU A 102
ALA A   7
VAL A  91
ILE A  37
ILE A 100
 None
 0.95A 1c6yA-2qpzA:
undetectable		 1c6yA-2qpzA:
23.28
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.
2qza SECRETED EFFECTOR
PROTEIN

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 273
ALA A 299
ILE A 360
THR A 293
ILE A 295
 None
 0.94A 1c6yA-2qzaA:
undetectable		 1c6yA-2qzaA:
9.21
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
ALA A  28
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 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.76A 1c6yA-2rkfA:
19.9		 1c6yA-2rkfA:
86.87
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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ILE A 108
 None
 0.94A 1c6yA-2rspA:
12.7		 1c6yA-2rspA:
29.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.81A 1c6yA-2z5xA:
undetectable		 1c6yA-2z5xA:
12.48
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 LEU A 116
ASP A 118
VAL A   7
GLY A 122
ILE A  30
 None
 0.95A 1c6yA-3cp8A:
undetectable		 1c6yA-3cp8A:
10.06
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 LEU A 101
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 0.92A 1c6yA-3d79A:
undetectable		 1c6yA-3d79A:
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
 None
 0.81A 1c6yA-3dfiA:
undetectable		 1c6yA-3dfiA:
16.87
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.
3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 ALA A  23
VAL A 129
ILE A  18
THR A  10
ILE A   8
 None
 0.86A 1c6yA-3fz0A:
undetectable		 1c6yA-3fz0A:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A 219
ALA A 169
GLY A 162
ILE A 163
ILE A 222
 None
 0.93A 1c6yA-3hheA:
undetectable		 1c6yA-3hheA:
18.04
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.
3ihl CTP SYNTHASE 2

(Homo sapiens) 		PF06418
(CTP_synth_N) 		6 VAL A 121
ILE A  88
GLY A  91
ILE A  43
PRO A 158
ILE A 117
 None
 1.47A 1c6yA-3ihlA:
undetectable		 1c6yA-3ihlA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.92A 1c6yA-3k28A:
undetectable		 1c6yA-3k28A:
12.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
 0.76A 1c6yA-3mwsA:
18.8		 1c6yA-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.65A 1c6yA-3mwsA:
18.8		 1c6yA-3mwsA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0s CAPSID PROTEIN VP

(Lepidopteran
iteradensovirus
1) 		PF01057
(Parvo_NS1) 		5 VAL A 135
ILE A 367
GLY A 101
THR A 390
ILE A 388
 None
 0.74A 1c6yA-3p0sA:
undetectable		 1c6yA-3p0sA:
10.63
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ARG B 948
VAL B1303
ILE B1288
THR B 961
ILE B 963
 None
 0.92A 1c6yA-3prxB:
undetectable		 1c6yA-3prxB:
4.61
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 LEU A  14
VAL A 290
ILE A  46
GLY A  58
ILE A  59
 None
FAD  A 501 (-4.0A)
FAD  A 501 (-4.3A)
None
None
 0.97A 1c6yA-3r9uA:
undetectable		 1c6yA-3r9uA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.70A 1c6yA-3slzA:
11.8		 1c6yA-3slzA:
26.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.64A 1c6yA-3t3cA:
17.8		 1c6yA-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.91A 1c6yA-3t3cA:
17.8		 1c6yA-3t3cA:
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.
3tsn 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Campylobacter
jejuni) 		PF04166
(PdxA) 		5 ALA A  44
ILE A   8
GLY A  15
ILE A  14
ILE A  96
 None
 0.86A 1c6yA-3tsnA:
undetectable		 1c6yA-3tsnA:
12.68
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.43A 1c6yA-3ttpA:
18.9		 1c6yA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.56A 1c6yA-3ttpA:
18.9		 1c6yA-3ttpA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		6 ARG A 554
LEU A 567
VAL A 351
ILE A 430
GLY A 432
ILE A 356
 None
 1.18A 1c6yA-3u24A:
undetectable		 1c6yA-3u24A:
11.50
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
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.56A 1c6yA-3u7sA:
19.3		 1c6yA-3u7sA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.58A 1c6yA-3u7sA:
19.3		 1c6yA-3u7sA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zxu MCM21

(Kluyveromyces
lactis) 		PF09496
(CENP-O) 		5 LEU A 124
VAL A 155
ILE A 180
ILE A 187
ILE A 137
 None
 0.94A 1c6yA-3zxuA:
undetectable		 1c6yA-3zxuA:
16.84
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 224
ALA A  20
VAL A 229
GLY A  13
ILE A  14
 None
None
None
FAD  A 600 (-3.4A)
FAD  A 600 (-4.8A)
 0.83A 1c6yA-3zyxA:
undetectable		 1c6yA-3zyxA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
487d PROTEIN (50S L2
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		5 LEU I 153
ALA I 161
ILE I 134
ILE I 172
ILE I 143
 None
 0.95A 1c6yA-487dI:
undetectable		 1c6yA-487dI:
20.15
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.83A 1c6yA-4ao7A:
undetectable		 1c6yA-4ao7A:
16.53
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		5 ASP A 347
VAL A 317
GLY A 216
ILE A 217
THR A 327
 SO4  A 401 ( 4.6A)
SO4  A 401 ( 4.5A)
None
None
None
 0.95A 1c6yA-4ehjA:
undetectable		 1c6yA-4ehjA:
14.71
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 LEU A 390
ALA A 317
VAL A 382
GLY A 345
ILE A 344
ILE A 386
 None
 1.30A 1c6yA-4fysA:
undetectable		 1c6yA-4fysA:
8.47
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		5 VAL A 172
ILE A 218
GLY A 220
ILE A 221
ILE A 287
 None
 0.83A 1c6yA-4g76A:
undetectable		 1c6yA-4g76A:
18.05
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.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		6 ALA A 204
ILE A 191
GLY A 209
ILE A 211
THR A 120
ILE A 124
 None
 1.17A 1c6yA-4kboA:
undetectable		 1c6yA-4kboA:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ksy STIMULATOR OF
INTERFERON GENES
PROTEIN

(Homo sapiens) 		PF15009
(TMEM173) 		5 LEU A 222
ASP A 223
VAL A 258
THR A 256
ILE A 244
 None
 0.95A 1c6yA-4ksyA:
undetectable		 1c6yA-4ksyA:
16.94
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.
4mdy PERIPLASMIC BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01497
(Peripla_BP_2) 		5 VAL A  37
GLY A 164
ILE A 163
THR A  46
ILE A  48
 None
 0.80A 1c6yA-4mdyA:
undetectable		 1c6yA-4mdyA:
16.72
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.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		5 LEU A  45
ALA A  21
ILE A  62
GLY A  64
ILE A  44
 None
 0.94A 1c6yA-4mesA:
undetectable		 1c6yA-4mesA:
19.02
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 ALA A  28
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.73A 1c6yA-4njvA:
20.0		 1c6yA-4njvA:
88.89
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 ARG A   8
LEU A  23
ASP A  25
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.82A 1c6yA-4njvA:
20.0		 1c6yA-4njvA:
88.89
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) 		10 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.62A 1c6yA-4njvA:
20.0		 1c6yA-4njvA:
88.89
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00198
(2-oxoacid_dh) 		6 ALA A 114
VAL A  67
GLY A  61
ILE A 126
THR A 149
ILE A  96
 None
 1.10A 1c6yA-4ofsA:
undetectable		 1c6yA-4ofsA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
VAL A   5
ILE A 326
ILE A  13
ILE A  29
 MG  A 401 (-4.5A)
None
None
NAD  A 400 (-4.3A)
None
 0.84A 1c6yA-4p8rA:
undetectable		 1c6yA-4p8rA:
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.
4pm4 IRON COMPLEX
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Mycobacterium
tuberculosis) 		PF01497
(Peripla_BP_2) 		5 VAL A  16
GLY A 143
ILE A 142
THR A  25
ILE A  27
 None
 0.80A 1c6yA-4pm4A:
undetectable		 1c6yA-4pm4A:
14.68
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ILE A 146
 None
 0.81A 1c6yA-4pyrA:
undetectable		 1c6yA-4pyrA:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 901 (-3.5A)
FAD  A 901 (-4.1A)
None
None
None
 0.88A 1c6yA-4qi4A:
undetectable		 1c6yA-4qi4A:
10.60
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 LEU A 489
ALA A 480
ILE A 258
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.5A)
None
None
None
 0.95A 1c6yA-4qi4A:
undetectable		 1c6yA-4qi4A:
10.60
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
None
 0.87A 1c6yA-4qi6A:
undetectable		 1c6yA-4qi6A:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 LEU A 489
ALA A 480
ILE A 258
ILE A 477
ILE A 488
 None
FAD  A 902 (-3.9A)
None
None
None
 0.97A 1c6yA-4qi6A:
undetectable		 1c6yA-4qi6A:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		5 ALA A 268
ILE A 234
ILE A 262
PRO A 246
ILE A 276
 None
 0.87A 1c6yA-4tv7A:
undetectable		 1c6yA-4tv7A:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa9 GALA PROTEIN TYPE 1,
3 OR 4

(Legionella
pneumophila) 		PF13516
(LRR_6) 		5 LEU A  49
VAL A  97
ILE A 102
GLY A  82
ILE A  73
 None
 0.96A 1c6yA-4xa9A:
undetectable		 1c6yA-4xa9A:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		5 ALA A  65
ILE A 294
GLY A 316
ILE A 318
THR A 242
 FMN  A 401 (-3.3A)
None
None
None
CL  A 403 (-3.1A)
 0.96A 1c6yA-4xq6A:
undetectable		 1c6yA-4xq6A:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ARG A  10
LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.82A 1c6yA-4ydfA:
13.4		 1c6yA-4ydfA:
33.06
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		5 ALA A 449
GLY A 104
ILE A 107
THR A 124
ILE A 446
 None
 0.88A 1c6yA-5cdiA:
undetectable		 1c6yA-5cdiA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cw5 BRCA1/BRCA2-CONTAINI
NG COMPLEX SUBUNIT 3

(Camponotus
floridanus) 		PF01398
(JAB) 		5 LEU A  79
VAL A  89
GLY A  33
ILE A  51
ILE A  36
 None
 0.95A 1c6yA-5cw5A:
undetectable		 1c6yA-5cw5A:
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.
5erp DESMOCOLLIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 VAL A 383
GLY A 429
ILE A 409
PRO A 379
THR A 380
 None
NAG  A 806 ( 4.5A)
NAG  A 806 (-3.5A)
None
None
 0.90A 1c6yA-5erpA:
undetectable		 1c6yA-5erpA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjj HEAT SHOCK 70 KDA
PROTEIN 1A

(Homo sapiens) 		PF00012
(HSP70) 		6 LEU A  19
ALA A 106
VAL A  54
ILE A  80
ILE A  43
ILE A  56
 None
 1.40A 1c6yA-5gjjA:
undetectable		 1c6yA-5gjjA:
15.29
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 LEU A 290
ILE A 164
GLY A 172
ILE A 215
ILE A  32
 None
 0.92A 1c6yA-5h7wA:
undetectable		 1c6yA-5h7wA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnb UBIQUITIN-LIKE-SPECI
FIC PROTEASE 2

(Saccharomyces
cerevisiae) 		PF02902
(Peptidase_C48) 		5 LEU B 166
VAL B 118
ILE B  66
THR B 133
ILE B 131
 None
 0.82A 1c6yA-5lnbB:
undetectable		 1c6yA-5lnbB:
14.97
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.
5mu3 CENTRAL KINETOCHORE
SUBUNIT MCM21

(Kluyveromyces
lactis) 		no annotation 5 LEU A 124
VAL A 155
ILE A 180
ILE A 187
ILE A 137
 None
 0.86A 1c6yA-5mu3A:
undetectable		 1c6yA-5mu3A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ALA A 392
ILE A 344
GLY A 385
ILE A 386
ILE A 159
 None
 0.93A 1c6yA-5nvaA:
undetectable		 1c6yA-5nvaA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olp PECTATE LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 VAL A 337
ILE A 350
GLY A 390
THR A 368
ILE A 366
 None
 0.87A 1c6yA-5olpA:
undetectable		 1c6yA-5olpA:
14.35
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
ALA A  28
ILE A  47
ILE A  50
PRO A  81
ILE A  84
 None
 0.86A 1c6yA-5t2zA:
19.2		 1c6yA-5t2zA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.65A 1c6yA-5t2zA:
19.2		 1c6yA-5t2zA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tc4 BIFUNCTIONAL
METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE/CYCLOH
YDROLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ALA A 269
VAL A 298
ILE A 305
ILE A 251
ILE A 265
 None
 0.93A 1c6yA-5tc4A:
undetectable		 1c6yA-5tc4A:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 LEU A 222
VAL A 276
ILE A 325
PRO A 279
ILE A 250
 None
 0.93A 1c6yA-5w0sA:
undetectable		 1c6yA-5w0sA:
10.88
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.
5x0n LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF03466
(LysR_substrate) 		5 LEU A 124
VAL A 140
ILE A 282
THR A  97
ILE A  95
 None
 0.77A 1c6yA-5x0nA:
undetectable		 1c6yA-5x0nA:
19.29
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.
5xyi 40S RIBOSOMAL
PROTEIN S23,
PUTATIVE

(Trichomonas
vaginalis) 		PF00164
(Ribosom_S12_S23) 		5 LEU X  75
ALA X  84
VAL X  52
ILE X  95
ILE X 124
 None
None
None
None
C  2  27 ( 4.6A)
 0.89A 1c6yA-5xyiX:
undetectable		 1c6yA-5xyiX:
20.69
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 ALA A 155
VAL A 164
GLY A 184
THR A 169
ILE A 165
 None
 0.94A 1c6yA-6cfdA:
undetectable		 1c6yA-6cfdA:
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 5 LEU A 173
ALA A 186
GLY A 191
ILE A 192
ILE A 174
 None
None
None
78M  A 603 (-4.3A)
None
 0.91A 1c6yA-6ei3A:
undetectable		 1c6yA-6ei3A:
11.32
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
LEU A  28
ASP A  30
ALA A  33
GLY A  58
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
 0.63A 1c6yA-6fivA:
15.7		 1c6yA-6fivA:
26.55
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
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.80A 1c6yA-6upjA:
18.2		 1c6yA-6upjA:
49.49
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
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.85A 1c6yA-6upjA:
18.2		 1c6yA-6upjA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		5 GLY A 248
ALA A 247
ASP A 246
THR A 160
ILE A 186
 None
 0.95A 1c6yB-1bsgA:
undetectable		 1c6yB-1bsgA:
14.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.58A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
THR A  80
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
None
A79  A 800 (-3.6A)
 0.49A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
THR A  80
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
None
A79  A 800 (-3.8A)
 0.54A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.41A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 0.45A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.48A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.64A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
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  30
VAL A  32
GLY A  49
ILE A  50
THR A  80
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 (-3.6A)
 0.47A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
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  30
VAL A  32
GLY A  49
ILE A  50
THR A  80
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 (-3.8A)
 0.54A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
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  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.37A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
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  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.45A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
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  30
VAL A  32
ILE A  50
THR A  80
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.58A 1c6yB-1hvcA:
13.4		 1c6yB-1hvcA:
44.83
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.
1k44 NUCLEOSIDE
DIPHOSPHATE KINASE

(Mycobacterium
tuberculosis) 		PF00334
(NDK) 		5 GLY A  90
ALA A  89
VAL A   7
ILE A  26
THR A   5
 None
 0.83A 1c6yB-1k44A:
undetectable		 1c6yB-1k44A:
24.29
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.81A 1c6yB-1l5jA:
undetectable		 1c6yB-1l5jA:
8.85
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
THR A 112
ILE A 120
 None
 0.93A 1c6yB-1mppA:
7.0		 1c6yB-1mppA:
13.30
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 None
 0.51A 1c6yB-1q9pA:
11.3		 1c6yB-1q9pA:
86.32
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 ALA A  28
ASP A  29
GLY A  48
THR A  80
ILE A  84
 None
 0.70A 1c6yB-1sivA:
17.6		 1c6yB-1sivA:
50.51
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
THR A  80
ILE A  84
 None
 0.48A 1c6yB-1sivA:
17.6		 1c6yB-1sivA:
50.51
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 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
THR A  80
ILE A  84
 None
 0.51A 1c6yB-1sivA:
17.6		 1c6yB-1sivA:
50.51
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 ASP A  25
GLY A  27
ALA A  28
THR A  80
PRO A  81
ILE A  84
 None
 0.46A 1c6yB-1sivA:
17.6		 1c6yB-1sivA:
50.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.80A 1c6yB-1to6A:
undetectable		 1c6yB-1to6A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.91A 1c6yB-1v5fA:
undetectable		 1c6yB-1v5fA:
10.28
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.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF01515
(PTA_PTB) 		5 ASP A  21
GLY A 122
ALA A 121
VAL A  18
PRO A  70
 None
 0.90A 1c6yB-1vmiA:
undetectable		 1c6yB-1vmiA:
14.04
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.79A 1c6yB-2bc0A:
undetectable		 1c6yB-2bc0A:
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.
2ekm HYPOTHETICAL PROTEIN
ST1511

(Sulfurisphaera
tokodaii) 		PF04008
(Adenosine_kin) 		5 VAL A  96
ILE A  88
GLY A  46
THR A  35
ILE A 100
 None
 0.87A 1c6yB-2ekmA:
undetectable		 1c6yB-2ekmA:
21.43
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.35A 1c6yB-2fmbA:
15.2		 1c6yB-2fmbA:
29.81
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.62A 1c6yB-2fmbA:
15.2		 1c6yB-2fmbA:
29.81
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 236
ALA A 237
ASP A 238
ILE A 210
ILE A 232
 None
 0.78A 1c6yB-2o7qA:
undetectable		 1c6yB-2o7qA:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
 None
 0.79A 1c6yB-2p3eA:
undetectable		 1c6yB-2p3eA:
13.31
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.83A 1c6yB-2q0lA:
undetectable		 1c6yB-2q0lA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
PRO A 120
ILE A 123
 None
 0.66A 1c6yB-2qzwA:
7.1		 1c6yB-2qzwA:
13.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.40A 1c6yB-2rkfA:
19.1		 1c6yB-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.8A)
None
AB1  A 501 ( 4.2A)
 0.49A 1c6yB-2rkfA:
19.1		 1c6yB-2rkfA:
86.87
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  25
GLY A  27
ALA A  28
THR A  80
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
None
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.56A 1c6yB-2rkfA:
19.1		 1c6yB-2rkfA:
86.87
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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.29A 1c6yB-2rspA:
12.7		 1c6yB-2rspA:
29.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 GLY G 621
ALA G 620
ILE G 617
GLY G 648
ILE G 676
 None
FMN  G3051 ( 4.7A)
None
None
None
 0.95A 1c6yB-2uv8G:
undetectable		 1c6yB-2uv8G:
4.32
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.87A 1c6yB-2yb6A:
undetectable		 1c6yB-2yb6A:
18.71
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 ALA A  88
ASP A  89
ILE A  53
GLY A  26
THR A  30
 None
None
None
None
PAJ  A 501 (-4.6A)
 0.86A 1c6yB-3ag6A:
undetectable		 1c6yB-3ag6A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 GLY A  87
ALA A  88
ASP A  89
ILE A  53
THR A  30
 None
None
None
None
PAJ  A 501 (-4.6A)
 0.83A 1c6yB-3ag6A:
undetectable		 1c6yB-3ag6A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.90A 1c6yB-3aqcB:
undetectable		 1c6yB-3aqcB:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.87A 1c6yB-3fbsA:
undetectable		 1c6yB-3fbsA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 ALA A  99
ILE A  75
GLY A 102
ILE A 118
ILE A  15
 None
 0.81A 1c6yB-3fkjA:
undetectable		 1c6yB-3fkjA:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		5 GLY A 112
ALA A 113
VAL A 231
THR A 248
ILE A 226
 None
 0.82A 1c6yB-3hyvA:
undetectable		 1c6yB-3hyvA:
15.06
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.90A 1c6yB-3i5gA:
undetectable		 1c6yB-3i5gA:
8.12
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
VAL A  32
ILE A  84
 None
 0.45A 1c6yB-3mwsA:
18.3		 1c6yB-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.43A 1c6yB-3mwsA:
18.3		 1c6yB-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
THR A  80
ILE A  84
 None
 0.55A 1c6yB-3mwsA:
18.3		 1c6yB-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
THR A  80
PRO A  81
 None
 0.67A 1c6yB-3mwsA:
18.3		 1c6yB-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
THR A  80
ILE A  84
 None
 0.69A 1c6yB-3mwsA:
18.3		 1c6yB-3mwsA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mxl NITROSOSYNTHASE

(Micromonospora
sp. ATCC 39149) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  85
ASP A  84
GLY A 207
PRO A 341
ILE A 259
 None
 0.89A 1c6yB-3mxlA:
undetectable		 1c6yB-3mxlA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.83A 1c6yB-3nnsA:
undetectable		 1c6yB-3nnsA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  75
ILE A  61
 None
 0.89A 1c6yB-3nnsA:
undetectable		 1c6yB-3nnsA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		5 GLY A  98
ALA A  99
ASP A 100
ILE A  70
THR A  85
 PEG  A 239 ( 4.2A)
None
PEG  A 241 ( 3.4A)
None
None
 0.94A 1c6yB-3q58A:
undetectable		 1c6yB-3q58A:
18.83
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.55A 1c6yB-3slzA:
11.9		 1c6yB-3slzA:
26.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
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)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.58A 1c6yB-3t3cA:
17.3		 1c6yB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
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
None
None
 0.56A 1c6yB-3t3cA:
17.3		 1c6yB-3t3cA:
76.77
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
GLY A  49
ILE A  50
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.52A 1c6yB-3ttpA:
18.4		 1c6yB-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
ILE A  84
 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 (-4.7A)
 0.71A 1c6yB-3ttpA:
18.4		 1c6yB-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 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)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.69A 1c6yB-3ttpA:
18.4		 1c6yB-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.42A 1c6yB-3u7sA:
19.1		 1c6yB-3u7sA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
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 (-4.0A)
 0.63A 1c6yB-3u7sA:
19.1		 1c6yB-3u7sA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ILE A 220
 None
 0.84A 1c6yB-4db1A:
undetectable		 1c6yB-4db1A:
7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 261
GLY A 263
ASP A 265
ILE A 464
PRO A 333
 None
 0.86A 1c6yB-4eqvA:
undetectable		 1c6yB-4eqvA:
12.88
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 206
ALA A 207
ASP A 208
ILE A 190
ILE A 176
 None
 0.81A 1c6yB-4ilkA:
undetectable		 1c6yB-4ilkA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iqy O-ACETYL-ADP-RIBOSE
DEACETYLASE MACROD2

(Homo sapiens) 		PF01661
(Macro) 		5 GLY A 191
ALA A 149
GLY A 146
ILE A 185
ILE A 153
 None
 0.93A 1c6yB-4iqyA:
undetectable		 1c6yB-4iqyA:
18.22
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 0.95A 1c6yB-4kkmA:
undetectable		 1c6yB-4kkmA:
16.79
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 GLY A  27
ASP A  29
GLY A 142
ILE A  51
ILE A  34
 None
CA  A 400 ( 4.5A)
CA  A 400 ( 4.4A)
None
None
 0.82A 1c6yB-4kpnA:
undetectable		 1c6yB-4kpnA:
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  10
ASP A  12
GLY A 124
ILE A  34
ILE A  17
 None
CA  A 401 ( 4.8A)
CA  A 401 ( 4.3A)
None
None
 0.78A 1c6yB-4kpoA:
undetectable		 1c6yB-4kpoA:
16.39
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.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 ALA B 231
GLY B 263
ILE B 264
THR B 257
ILE B 122
 None
HEM  B 602 ( 4.0A)
None
PLP  B 601 (-3.3A)
None
 0.92A 1c6yB-4l27B:
undetectable		 1c6yB-4l27B:
11.11
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		5 GLY A 132
ALA A 133
ASP A 134
PRO A 109
ILE A 128
 None
 0.92A 1c6yB-4ml9A:
undetectable		 1c6yB-4ml9A:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.58A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
THR A  80
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
None
RIT  A 500 (-4.3A)
 0.59A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.46A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  80
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-4.3A)
 0.54A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
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
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.69A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
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.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
GLY A 252
PRO A 285
 None
 0.82A 1c6yB-4rghA:
11.1		 1c6yB-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
 0.79A 1c6yB-4ttpA:
undetectable		 1c6yB-4ttpA:
17.33
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.
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
 0.95A 1c6yB-4u1rA:
undetectable		 1c6yB-4u1rA:
10.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-4.8A)
 0.32A 1c6yB-4ydfA:
13.1		 1c6yB-4ydfA:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.46A 1c6yB-4ydfA:
13.1		 1c6yB-4ydfA:
33.06
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLY A 225
VAL A 221
ILE A 187
GLY A 205
ILE A 206
 None
 0.76A 1c6yB-4ywlA:
undetectable		 1c6yB-4ywlA:
19.09
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.
5a8d CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43) 		5 GLY A 168
VAL A 149
ILE A 192
ILE A 189
ILE A 128
 GOL  A1340 (-3.3A)
None
None
None
None
 0.78A 1c6yB-5a8dA:
undetectable		 1c6yB-5a8dA:
14.70
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
ILE A  84
 None
 0.17A 1c6yB-5b18A:
17.7		 1c6yB-5b18A:
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.84A 1c6yB-5g5gA:
undetectable		 1c6yB-5g5gA:
19.82
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.
5mms CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 231
GLY A 263
ILE A 264
THR A 257
ILE A 122
 None
HEM  A1001 ( 3.9A)
None
PLP  A1002 (-2.9A)
None
 0.87A 1c6yB-5mmsA:
undetectable		 1c6yB-5mmsA:
14.47
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ASP A  80
GLY A  82
ASP A  85
ILE A 122
ILE A 169
 None
 0.74A 1c6yB-5nfgA:
6.7		 1c6yB-5nfgA:
12.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.46A 1c6yB-5t2zA:
18.7		 1c6yB-5t2zA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
THR A  80
ILE A  84
 None
 0.61A 1c6yB-5t2zA:
18.7		 1c6yB-5t2zA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 None
 0.67A 1c6yB-5t2zA:
18.7		 1c6yB-5t2zA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 ASP A  95
GLY A  76
ASP A  72
VAL A 120
GLY A 136
 SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
None
SAH  A 301 (-4.1A)
AZ8  A 302 ( 3.5A)
 0.82A 1c6yB-5ufmA:
undetectable		 1c6yB-5ufmA:
18.09
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 225
VAL A 287
ILE A 277
ILE A 304
ILE A 286
 NAD  A 500 (-3.6A)
None
None
NAD  A 500 (-4.4A)
NAD  A 500 (-4.8A)
 0.89A 1c6yB-6aphA:
undetectable		 1c6yB-6aphA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9h PROTEIN HOOK HOMOLOG
3

(Homo sapiens) 		no annotation 5 GLY A 124
VAL A  44
ILE A  20
ILE A 139
ILE A  48
 None
 0.83A 1c6yB-6b9hA:
undetectable		 1c6yB-6b9hA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 166
GLY A 203
ILE A 204
THR A 197
ILE A  56
 PGE  A 409 ( 4.3A)
None
None
PLP  A 401 (-2.9A)
None
 0.85A 1c6yB-6c2hA:
undetectable		 1c6yB-6c2hA:
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
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 (-3.4A)
 0.30A 1c6yB-6fivA:
15.8		 1c6yB-6fivA:
26.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fsa -

(-) 		no annotation 5 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ILE A 220
 None
 0.88A 1c6yB-6fsaA:
undetectable		 1c6yB-6fsaA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.47A 1c6yB-6upjA:
17.7		 1c6yB-6upjA:
49.49
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  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
None
 0.67A 1c6yB-6upjA:
17.7		 1c6yB-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  50
THR A  80
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
None
 0.65A 1c6yB-6upjA:
17.7		 1c6yB-6upjA:
49.49