SIMILAR PATTERNS OF AMINO ACIDS FOR 1C6Z_B_ROCB505

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.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		5 GLY A 248
ALA A 247
GLY A 236
THR A 160
ILE A 186
 None
 1.07A 1c6zA-1bsgA:
undetectable		 1c6zA-1bsgA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		5 ARG A 112
ASP A 248
ASP A 281
GLY A  89
THR A 337
 None
None
H37  A 501 ( 4.7A)
None
None
 1.05A 1c6zA-1cvrA:
undetectable		 1c6zA-1cvrA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		5 GLY A  37
ALA A  38
ILE A 121
GLY A 123
ILE A  21
 None
 1.00A 1c6zA-1ejbA:
undetectable		 1c6zA-1ejbA:
21.39
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		5 ARG L 243
GLY L 208
ALA L 209
GLY L 250
THR S  90
 None
 1.08A 1c6zA-1hfeL:
undetectable		 1c6zA-1hfeL:
12.38
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
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 (-3.8A)
 0.47A 1c6zA-1hvcA:
13.6		 1c6zA-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) 		10 ARG A   8
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 (-3.6A)
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)
 0.49A 1c6zA-1hvcA:
13.6		 1c6zA-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) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
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 ( 3.9A)
A79  A 800 (-3.6A)
 0.52A 1c6zA-1hvcA:
13.6		 1c6zA-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.
1j93 UROPORPHYRINOGEN
DECARBOXYLASE

(Nicotiana
tabacum) 		PF01208
(URO-D) 		5 GLY A 293
ILE A  78
GLY A  76
PRO A 247
ILE A 249
 None
 0.86A 1c6zA-1j93A:
undetectable		 1c6zA-1j93A:
14.84
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.
1kaq NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 ARG A 160
GLY A  17
ILE A 104
GLY A 106
THR A  10
 None
DND  A 601 ( 4.3A)
None
DND  A 601 (-3.2A)
DND  A 601 (-3.1A)
 0.95A 1c6zA-1kaqA:
undetectable		 1c6zA-1kaqA:
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 181
ALA A 182
ILE A 109
PRO A 206
ILE A 200
 None
 0.94A 1c6zA-1kplA:
undetectable		 1c6zA-1kplA:
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.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 GLY A  38
ALA A  39
ILE A 118
GLY A 120
ILE A  22
 None
 1.00A 1c6zA-1kz1A:
undetectable		 1c6zA-1kz1A:
24.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.66A 1c6zA-1q9pA:
10.8		 1c6zA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.58A 1c6zA-1sivA:
17.6		 1c6zA-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
GLY A  48
PRO A  81
ILE A  84
 None
 0.71A 1c6zA-1sivA:
17.6		 1c6zA-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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ASP A 183
GLY A 184
ALA A 185
GLY A  74
ILE A  72
 None
 1.02A 1c6zA-1svvA:
undetectable		 1c6zA-1svvA:
15.82
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  31
ALA A  32
THR A 133
ILE A 130
 AIS  A 402 (-3.6A)
AIS  A 402 (-3.8A)
AIS  A 402 ( 4.2A)
None
None
 1.07A 1c6zA-1tz6A:
undetectable		 1c6zA-1tz6A:
15.03
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
 0.94A 1c6zA-1v5fA:
undetectable		 1c6zA-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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		5 GLY A  44
ALA A  45
ILE A  37
PRO A  93
THR A  94
 None
 0.93A 1c6zA-1xcfA:
undetectable		 1c6zA-1xcfA:
17.94
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		5 GLY A  44
ILE A  37
PRO A  93
THR A  94
ILE A  95
 None
 0.94A 1c6zA-1xcfA:
undetectable		 1c6zA-1xcfA:
17.94
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.
1ykg SULFITE REDUCTASE
[NADPH] FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 GLY A  98
ALA A  97
VAL A 113
THR A  64
ILE A  66
 None
 0.92A 1c6zA-1ykgA:
undetectable		 1c6zA-1ykgA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 ASP A 131
VAL A  94
ILE A  55
ILE A  79
ILE A 133
 None
 1.06A 1c6zA-2a9vA:
undetectable		 1c6zA-2a9vA:
19.52
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ARG A  85
GLY A 237
ALA A 236
VAL A  90
ILE A  25
 None
 1.03A 1c6zA-2b4qA:
undetectable		 1c6zA-2b4qA:
18.25
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.
2e1d TRANSALDOLASE

(Mus musculus) 		PF00923
(TAL_FSA) 		5 ASP A 137
GLY A 101
ILE A  99
THR A 105
ILE A 139
 None
 1.06A 1c6zA-2e1dA:
undetectable		 1c6zA-2e1dA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.61A 1c6zA-2fmbA:
15.3		 1c6zA-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
VAL A  32
GLY A  54
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.77A 1c6zA-2fmbA:
15.3		 1c6zA-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
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)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.57A 1c6zA-2fmbA:
15.3		 1c6zA-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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 0.74A 1c6zA-2g3nA:
undetectable		 1c6zA-2g3nA:
8.78
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.90A 1c6zA-2h6eA:
undetectable		 1c6zA-2h6eA:
16.88
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.
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)
 0.84A 1c6zA-2isqA:
undetectable		 1c6zA-2isqA:
15.94
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.
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
 0.92A 1c6zA-2p3eA:
undetectable		 1c6zA-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.
2p4h VESTITONE REDUCTASE

(Medicago sativa) 		PF01370
(Epimerase) 		5 GLY X  81
ASP X 185
VAL X 187
ILE X 239
THR X 127
 None
 0.97A 1c6zA-2p4hX:
undetectable		 1c6zA-2p4hX:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcr INOSITOL-1-MONOPHOSP
HATASE

(Aquifex
aeolicus) 		PF00459
(Inositol_P) 		5 GLY A 244
ALA A 243
ILE A 215
GLY A 218
ILE A 221
 None
 1.07A 1c6zA-2pcrA:
undetectable		 1c6zA-2pcrA:
17.05
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.
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
 0.82A 1c6zA-2q0lA:
undetectable		 1c6zA-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
 0.96A 1c6zA-2qzwA:
6.9		 1c6zA-2qzwA:
13.35
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 181
ALA A 182
ILE A 109
PRO A 206
ILE A 200
 None
None
CL  A   2 ( 4.9A)
None
None
 0.95A 1c6zA-2r9hA:
undetectable		 1c6zA-2r9hA:
14.22
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
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.39A 1c6zA-2rkfA:
19.7		 1c6zA-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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.52A 1c6zA-2rkfA:
19.7		 1c6zA-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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		5 GLY A 442
ALA A 441
GLY A 461
PRO A  42
ILE A 197
 None
 1.01A 1c6zA-2w45A:
undetectable		 1c6zA-2w45A:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A  40
ALA A  39
VAL A 170
ILE A  33
ILE A 171
 None
 1.00A 1c6zA-2ww9A:
undetectable		 1c6zA-2ww9A:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 ASP A  34
VAL A  35
GLY A  20
ILE A  21
PRO A 224
 None
 0.99A 1c6zA-2xioA:
undetectable		 1c6zA-2xioA:
17.88
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.
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
 0.89A 1c6zA-2yb6A:
undetectable		 1c6zA-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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 ASP A  51
GLY A  53
GLY A 145
ILE A 144
ILE A  59
 None
NHE  A 195 (-3.2A)
None
NHE  A 195 ( 4.5A)
None
 1.01A 1c6zA-3cggA:
undetectable		 1c6zA-3cggA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.80A 1c6zA-3g7rA:
undetectable		 1c6zA-3g7rA:
17.35
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.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A 123
 None
 0.90A 1c6zA-3hdfA:
undetectable		 1c6zA-3hdfA:
21.13
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 0.96A 1c6zA-3i4oA:
undetectable		 1c6zA-3i4oA:
21.70
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
GLY A 460
ILE A 459
ILE A 224
 None
 0.73A 1c6zA-3i5gA:
undetectable		 1c6zA-3i5gA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6v DNA GYRASE SUBUNIT A

(Xanthomonas
campestris) 		PF03989
(DNA_gyraseA_C) 		5 ALA A 697
GLY A 807
ILE A 806
THR A 802
ILE A 723
 None
 1.07A 1c6zA-3l6vA:
undetectable		 1c6zA-3l6vA:
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
ASP A 207
VAL A 175
ILE A  82
ILE A 205
 None
 0.92A 1c6zA-3lunA:
undetectable		 1c6zA-3lunA:
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
ASP A 207
VAL A 175
ILE A  93
ILE A 205
 None
 1.02A 1c6zA-3lunA:
undetectable		 1c6zA-3lunA:
18.75
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) 		5 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 0.71A 1c6zA-3mwsA:
18.6		 1c6zA-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
PRO A  81
ILE A  84
 None
 0.56A 1c6zA-3mwsA:
18.6		 1c6zA-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) 		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
 None
 0.41A 1c6zA-3mwsA:
18.6		 1c6zA-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
 0.72A 1c6zA-3p0sA:
undetectable		 1c6zA-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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		6 GLY A  44
ALA A  45
ILE A  37
PRO A  93
THR A  94
ILE A  95
 None
 1.05A 1c6zA-3pr2A:
undetectable		 1c6zA-3pr2A:
18.29
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.
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)
 0.72A 1c6zA-3slzA:
11.8		 1c6zA-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) 		5 ASP A  25
ASP A  30
VAL A  32
ILE A  47
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-4.2A)
None
None
None
 0.64A 1c6zA-3t3cA:
17.7		 1c6zA-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  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 (-4.2A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.33A 1c6zA-3t3cA:
17.7		 1c6zA-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
 0.94A 1c6zA-3tsnA:
undetectable		 1c6zA-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
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 0.65A 1c6zA-3ttpA:
18.8		 1c6zA-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 ASP A  25
GLY A  27
ALA A  28
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 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.51A 1c6zA-3ttpA:
18.8		 1c6zA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.59A 1c6zA-3ttpA:
18.8		 1c6zA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.45A 1c6zA-3u7sA:
19.3		 1c6zA-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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.51A 1c6zA-3u7sA:
19.3		 1c6zA-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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.02A 1c6zA-3upyA:
undetectable		 1c6zA-3upyA:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 225
VAL A 131
GLY A 196
THR A 160
ILE A 162
 None
 0.86A 1c6zA-3wgkA:
undetectable		 1c6zA-3wgkA:
9.57
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ARG A 505
VAL A 558
GLY A 515
ILE A 500
ILE A 548
 None
 0.97A 1c6zA-4a2lA:
undetectable		 1c6zA-4a2lA:
9.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.03A 1c6zA-4ev4A:
undetectable		 1c6zA-4ev4A:
16.13
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 GLY A 233
GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.90A 1c6zA-4jc5A:
undetectable		 1c6zA-4jc5A:
17.77
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  15
ALA A  14
VAL A 112
THR A  32
ILE A  34
 FAD  A 512 (-3.4A)
None
None
None
None
 0.85A 1c6zA-4jq9A:
undetectable		 1c6zA-4jq9A:
11.51
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.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		5 GLY A  38
ALA A  39
ILE A 122
GLY A 124
ILE A  22
 None
 1.01A 1c6zA-4kq6A:
undetectable		 1c6zA-4kq6A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 ARG A 294
ASP A 320
VAL A 319
GLY A 304
ILE A 307
 None
 0.90A 1c6zA-4msoA:
undetectable		 1c6zA-4msoA:
11.69
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 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.60A 1c6zA-4njvA:
19.8		 1c6zA-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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.60A 1c6zA-4njvA:
19.8		 1c6zA-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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
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)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.62A 1c6zA-4njvA:
19.8		 1c6zA-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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
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 (-3.5A)
RIT  A 500 (-4.3A)
 0.56A 1c6zA-4njvA:
19.8		 1c6zA-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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 ALA A 343
VAL A  88
GLY A 336
ILE A 337
ILE A  86
 None
 1.03A 1c6zA-4pyrA:
undetectable		 1c6zA-4pyrA:
15.18
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 ARG A  10
ASP A  32
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.64A 1c6zA-4ydfA:
12.7		 1c6zA-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 ARG A  10
ASP A  32
GLY A  34
ALA A  35
VAL A  39
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-4.8A)
 0.60A 1c6zA-4ydfA:
12.7		 1c6zA-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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASP A  62
GLY A  58
ASP A  46
THR A  89
ILE A  92
 None
None
None
FAD  A 601 (-3.6A)
None
 1.10A 1c6zA-4ynuA:
undetectable		 1c6zA-4ynuA:
9.93
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.
5a8d CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43) 		5 ALA A  45
ILE A  75
ILE A  78
PRO A 136
ILE A 110
 GOL  A1340 (-3.6A)
None
None
None
GOL  A1340 (-4.2A)
 0.89A 1c6zA-5a8dA:
undetectable		 1c6zA-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 ARG A   8
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
 0.38A 1c6zA-5b18A:
17.9		 1c6zA-5b18A:
78.79
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 ARG A   8
GLY A  27
ALA A  28
GLY A  49
ILE A  84
 None
 0.81A 1c6zA-5b18A:
17.9		 1c6zA-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.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		5 GLY A 154
ALA A 155
ILE A 161
GLY A 163
ILE A 147
 None
 0.99A 1c6zA-5ewtA:
undetectable		 1c6zA-5ewtA:
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 234
ALA A 184
VAL A 190
ILE A 205
GLY A 238
 None
 1.06A 1c6zA-5j1lA:
undetectable		 1c6zA-5j1lA:
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 GLY B 358
ALA B 357
VAL B 590
GLY B 412
THR B 395
 None
 0.96A 1c6zA-5lxzB:
undetectable		 1c6zA-5lxzB:
11.05
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 5 GLY B  46
VAL B 160
ILE B 118
THR B 153
ILE B 151
 None
 0.83A 1c6zA-5ol2B:
undetectable		 1c6zA-5ol2B:
19.48
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 ARG A   8
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
 None
 0.47A 1c6zA-5t2zA:
19.0		 1c6zA-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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.59A 1c6zA-5t2zA:
19.0		 1c6zA-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.
5t89 VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF00047
(ig)
PF07679
(I-set)
PF13927
(Ig_3) 		5 ARG X 261
GLY X 316
PRO X 257
THR X 256
ILE X 229
 None
 0.99A 1c6zA-5t89X:
undetectable		 1c6zA-5t89X:
10.51
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A   9
ILE A 286
GLY A 116
ILE A 117
ILE A   7
 FAD  A 401 ( 4.7A)
None
FAD  A 401 (-4.0A)
FAD  A 401 (-4.8A)
None
 0.98A 1c6zA-5twbA:
undetectable		 1c6zA-5twbA:
15.89
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 5 GLY A 372
VAL A 271
ILE A 254
GLY A 376
ILE A 275
 None
 1.09A 1c6zA-5uc5A:
undetectable		 1c6zA-5uc5A:
23.53
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.
5uid AMINOTRANSFERASE
TLMJ

(Streptoalloteichus
hindustanus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A  95
ALA A  96
VAL A  77
GLY A  70
ILE A  91
 None
 0.97A 1c6zA-5uidA:
undetectable		 1c6zA-5uidA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi) 		no annotation 5 VAL A  28
ILE A  31
GLY A  13
ILE A  12
ILE A   4
 None
None
None
NAD  A 401 (-4.1A)
None
 0.94A 1c6zA-5ur0A:
undetectable		 1c6zA-5ur0A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 GLY A 141
GLY C 683
ILE C 745
THR C 722
ILE C 720
 None
 1.05A 1c6zA-5y6qA:
undetectable		 1c6zA-5y6qA:
22.45
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.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 6 GLY A 373
VAL A 272
ILE A 255
GLY A 377
ILE A 247
ILE A 276
 None
 1.30A 1c6zA-6cqbA:
undetectable		 1c6zA-6cqbA:
16.83
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
ASP A  30
GLY A  32
ALA A  33
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
 0.31A 1c6zA-6fivA:
15.3		 1c6zA-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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.49A 1c6zA-6upjA:
17.9		 1c6zA-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
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.52A 1c6zA-6upjA:
17.9		 1c6zA-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) 		5 ASP A  25
GLY A  27
ASP A  30
GLY A  49
ILE A  50
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.63A 1c6zA-6upjA:
17.9		 1c6zA-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) 		5 ASP A  25
GLY A  27
ASP A  30
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 (-3.9A)
None
 0.71A 1c6zA-6upjA:
17.9		 1c6zA-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.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		5 GLY A  37
ALA A  38
ILE A 121
GLY A 123
ILE A  21
 None
 0.94A 1c6zB-1ejbA:
undetectable		 1c6zB-1ejbA:
21.39
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.
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
 0.90A 1c6zB-1gaeO:
undetectable		 1c6zB-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) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.74A 1c6zB-1hvcA:
13.5		 1c6zB-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) 		5 ALA A  28
ASP A  29
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.69A 1c6zB-1hvcA:
13.5		 1c6zB-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) 		5 ARG A   8
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.68A 1c6zB-1hvcA:
13.5		 1c6zB-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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
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 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.42A 1c6zB-1hvcA:
13.5		 1c6zB-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
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 (-2.7A)
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)
 0.47A 1c6zB-1hvcA:
13.5		 1c6zB-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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
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 ( 4.4A)
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)
 0.48A 1c6zB-1hvcA:
13.5		 1c6zB-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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 GLY A  32
VAL A  50
ILE A   5
THR A  12
ILE A  10
 None
 0.93A 1c6zB-1k1dA:
undetectable		 1c6zB-1k1dA:
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.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 GLY A  38
ALA A  39
ILE A 118
GLY A 120
ILE A  22
 None
 0.95A 1c6zB-1kz1A:
undetectable		 1c6zB-1kz1A:
24.50
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.97A 1c6zB-1m0sA:
undetectable		 1c6zB-1m0sA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 ASP A 176
VAL A 146
ILE A 168
THR A 188
ILE A 186
 None
 0.78A 1c6zB-1m7jA:
undetectable		 1c6zB-1m7jA:
11.23
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 0.96A 1c6zB-1naaA:
undetectable		 1c6zB-1naaA:
11.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
PRO A  81
ILE A  84
 None
 0.55A 1c6zB-1q9pA:
10.9		 1c6zB-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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 0.56A 1c6zB-1sivA:
17.9		 1c6zB-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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.55A 1c6zB-1sivA:
17.9		 1c6zB-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) 		5 GLY A  27
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.69A 1c6zB-1sivA:
17.9		 1c6zB-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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ASP A 183
GLY A 184
ALA A 185
GLY A  74
ILE A  72
 None
 0.99A 1c6zB-1svvA:
undetectable		 1c6zB-1svvA:
15.82
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		5 GLY A  44
ALA A  45
ILE A  37
PRO A  93
THR A  94
 None
 0.85A 1c6zB-1xcfA:
undetectable		 1c6zB-1xcfA:
17.94
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.
1ykg SULFITE REDUCTASE
[NADPH] FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 GLY A  98
ALA A  97
VAL A 113
THR A  64
ILE A  66
 None
 0.95A 1c6zB-1ykgA:
undetectable		 1c6zB-1ykgA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Bacillus
subtilis) 		PF02547
(Queuosine_synth) 		5 ASP A  54
VAL A  57
ILE A 249
GLY A 293
ILE A 341
 None
 0.91A 1c6zB-1yy3A:
undetectable		 1c6zB-1yy3A:
15.03
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ARG A  85
GLY A 237
ALA A 236
VAL A  90
ILE A  25
 None
 0.95A 1c6zB-2b4qA:
undetectable		 1c6zB-2b4qA:
18.25
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.66A 1c6zB-2fmbA:
15.4		 1c6zB-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) 		9 ARG A   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 (-3.5A)
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)
 0.66A 1c6zB-2fmbA:
15.4		 1c6zB-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
VAL A  32
GLY A  54
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.81A 1c6zB-2fmbA:
15.4		 1c6zB-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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.97A 1c6zB-2h6eA:
undetectable		 1c6zB-2h6eA:
16.88
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.
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
 0.88A 1c6zB-2p3eA:
undetectable		 1c6zB-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
 0.78A 1c6zB-2q0lA:
undetectable		 1c6zB-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.
2r0h CGL3 LECTIN

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		5 ASP A 115
GLY A  94
ILE A  63
THR A 102
ILE A 114
 None
 1.02A 1c6zB-2r0hA:
undetectable		 1c6zB-2r0hA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 181
ALA A 182
ILE A 109
PRO A 206
ILE A 200
 None
None
CL  A   2 ( 4.9A)
None
None
 1.02A 1c6zB-2r9hA:
undetectable		 1c6zB-2r9hA:
14.22
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.47A 1c6zB-2rkfA:
19.6		 1c6zB-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) 		7 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.66A 1c6zB-2rkfA:
19.6		 1c6zB-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) 		6 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 1.02A 1c6zB-2rspA:
12.6		 1c6zB-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.
2vsv RHOPHILIN-2

(Homo sapiens) 		no annotation 5 GLY A 551
ALA A 552
ASP A 556
ILE A 558
THR A 520
 None
 0.72A 1c6zB-2vsvA:
undetectable		 1c6zB-2vsvA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A  40
ALA A  39
VAL A 170
ILE A  33
ILE A 171
 None
 1.01A 1c6zB-2ww9A:
undetectable		 1c6zB-2ww9A:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.91A 1c6zB-2yb6A:
undetectable		 1c6zB-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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		5 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.02A 1c6zB-3b8bA:
undetectable		 1c6zB-3b8bA:
16.90
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.00A 1c6zB-3d79A:
undetectable		 1c6zB-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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 0.91A 1c6zB-3i4oA:
undetectable		 1c6zB-3i4oA:
21.70
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
 0.53A 1c6zB-3mwsA:
18.6		 1c6zB-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 1c6zB-3mwsA:
18.6		 1c6zB-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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
PRO A  81
 None
 0.59A 1c6zB-3mwsA:
18.6		 1c6zB-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.
3p9t REPRESSOR

(Stenotrophomonas
maltophilia) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 ALA A  19
ASP A  18
ILE A  62
THR A  33
ILE A  37
 None
 0.98A 1c6zB-3p9tA:
undetectable		 1c6zB-3p9tA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		5 GLY A  44
ALA A  45
ILE A  37
PRO A  93
THR A  94
 None
 0.80A 1c6zB-3pr2A:
undetectable		 1c6zB-3pr2A:
18.29
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.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		5 ALA A 366
ASP A 365
VAL A 351
THR A 374
ILE A 372
 None
 1.01A 1c6zB-3q3vA:
undetectable		 1c6zB-3q3vA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 1c6zB-3slzA:
11.9		 1c6zB-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) 		5 ARG A   8
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.73A 1c6zB-3t3cA:
17.6		 1c6zB-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
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)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.42A 1c6zB-3t3cA:
17.6		 1c6zB-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
 0.90A 1c6zB-3tsnA:
undetectable		 1c6zB-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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.51A 1c6zB-3ttpA:
18.8		 1c6zB-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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.61A 1c6zB-3ttpA:
18.8		 1c6zB-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.56A 1c6zB-3u7sA:
19.2		 1c6zB-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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.62A 1c6zB-3u7sA:
19.2		 1c6zB-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.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		5 ALA A  60
ILE A 138
GLY A 140
ILE A 141
ILE A  81
 None
 1.02A 1c6zB-3upuA:
undetectable		 1c6zB-3upuA:
12.90
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.01A 1c6zB-3upyA:
undetectable		 1c6zB-3upyA:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 GLY A 146
VAL A  62
ILE A 119
ILE A 113
ILE A  66
 None
None
None
OLC  A 503 ( 4.5A)
None
 0.75A 1c6zB-3wbnA:
undetectable		 1c6zB-3wbnA:
12.70
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 225
VAL A 131
GLY A 196
THR A 160
ILE A 162
 None
 0.84A 1c6zB-3wgkA:
undetectable		 1c6zB-3wgkA:
9.57
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.
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 1c6zB-4ao7A:
undetectable		 1c6zB-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.
4din CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-BETA REGULATORY
SUBUNIT

(Homo sapiens) 		PF00027
(cNMP_binding)
PF02197
(RIIa) 		5 GLY B 199
VAL B 162
GLY B 223
ILE B 224
ILE B 163
 None
 0.91A 1c6zB-4dinB:
undetectable		 1c6zB-4dinB:
13.76
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 224
VAL A 128
GLY A 193
THR A 157
ILE A 159
 None
 0.77A 1c6zB-4e6eA:
undetectable		 1c6zB-4e6eA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 ALA A 159
VAL A  96
ILE A 148
GLY A 146
ILE A  59
 None
 0.90A 1c6zB-4fx5A:
undetectable		 1c6zB-4fx5A:
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 GLY A 233
GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.96A 1c6zB-4jc5A:
undetectable		 1c6zB-4jc5A:
17.77
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  15
ALA A  14
VAL A 112
THR A  32
ILE A  34
 FAD  A 512 (-3.4A)
None
None
None
None
 0.85A 1c6zB-4jq9A:
undetectable		 1c6zB-4jq9A:
11.51
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.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		5 GLY A  38
ALA A  39
ILE A 122
GLY A 124
ILE A  22
 None
 0.96A 1c6zB-4kq6A:
undetectable		 1c6zB-4kq6A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2j AMINOTRANSFERASE

(Streptomyces
lavendulae) 		PF00155
(Aminotran_1_2) 		5 GLY A 278
ALA A 281
VAL A 311
GLY A 228
ILE A 200
 None
 0.98A 1c6zB-4m2jA:
undetectable		 1c6zB-4m2jA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 1c6zB-4ml9A:
undetectable		 1c6zB-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) 		7 ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.72A 1c6zB-4njvA:
19.6		 1c6zB-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) 		7 ARG A   8
VAL A  32
ILE A  47
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.73A 1c6zB-4njvA:
19.6		 1c6zB-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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
THR A  82
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)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.47A 1c6zB-4njvA:
19.6		 1c6zB-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
THR A  82
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)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.53A 1c6zB-4njvA:
19.6		 1c6zB-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.
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
 0.88A 1c6zB-4p8rA:
undetectable		 1c6zB-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.
4pvc NADPH-DEPENDENT
METHYLGLYOXAL
REDUCTASE GRE2

(Saccharomyces
cerevisiae) 		PF01073
(3Beta_HSD) 		5 ASP A 274
VAL A 220
ILE A 328
ILE A 240
THR A 215
 None
 0.98A 1c6zB-4pvcA:
undetectable		 1c6zB-4pvcA:
17.31
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 ALA A 343
VAL A  88
GLY A 336
ILE A 337
ILE A  86
 None
 0.99A 1c6zB-4pyrA:
undetectable		 1c6zB-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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		5 GLY A 110
ALA A 109
ILE A  45
ILE A  89
ILE A  96
 None
 0.97A 1c6zB-4rhhA:
undetectable		 1c6zB-4rhhA:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 1c6zB-4tv7A:
undetectable		 1c6zB-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.
4y81 PROTEASOME SUBUNIT
BETA TYPE-6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ARG L 213
VAL L  43
ILE L  12
GLY L  14
ILE L  15
 None
 0.98A 1c6zB-4y81L:
undetectable		 1c6zB-4y81L:
18.52
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
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.59A 1c6zB-4ydfA:
13.0		 1c6zB-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) 		7 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
ILE A 100
 None
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)
 0.54A 1c6zB-4ydfA:
13.0		 1c6zB-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.
5a8d CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43) 		5 ALA A  45
ILE A  75
ILE A  78
PRO A 136
ILE A 110
 GOL  A1340 (-3.6A)
None
None
None
GOL  A1340 (-4.2A)
 0.94A 1c6zB-5a8dA:
undetectable		 1c6zB-5a8dA:
14.70
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.
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
 0.91A 1c6zB-5a8dA:
undetectable		 1c6zB-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 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ILE A  84
 None
 0.45A 1c6zB-5b18A:
17.9		 1c6zB-5b18A:
78.79
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
GLY A  49
ILE A  84
 None
 0.61A 1c6zB-5b18A:
17.9		 1c6zB-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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.02A 1c6zB-5d01A:
undetectable		 1c6zB-5d01A:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		5 GLY A 154
ALA A 155
ILE A 161
GLY A 163
ILE A 147
 None
 1.00A 1c6zB-5ewtA:
undetectable		 1c6zB-5ewtA:
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A 376
ALA A 377
ASP A 347
ILE A 241
ILE A 379
 None
 0.94A 1c6zB-5habA:
undetectable		 1c6zB-5habA:
12.98
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.
5im4 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Candida
albicans) 		PF00885
(DMRL_synthase) 		5 GLY A  38
ALA A  39
ILE A 122
GLY A 124
ILE A  22
 None
 0.91A 1c6zB-5im4A:
undetectable		 1c6zB-5im4A:
21.29
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.
5j1k TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 230
ALA A 180
VAL A 186
GLY A 234
ILE A 227
 None
 1.00A 1c6zB-5j1kA:
undetectable		 1c6zB-5j1kA:
20.25
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		5 ASP A 536
VAL A 505
ILE A 538
GLY A 541
ILE A 593
 None
 0.95A 1c6zB-5j8jA:
undetectable		 1c6zB-5j8jA:
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 GLY B 358
ALA B 357
VAL B 590
GLY B 412
THR B 395
 None
 0.92A 1c6zB-5lxzB:
undetectable		 1c6zB-5lxzB:
11.05
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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 5 GLY B  46
VAL B 160
ILE B 118
THR B 153
ILE B 151
 None
 0.81A 1c6zB-5ol2B:
undetectable		 1c6zB-5ol2B:
19.48
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) 		7 ARG A   8
ASP A  25
GLY A  27
VAL A  32
ILE A  47
ILE A  50
ILE A  84
 None
 0.53A 1c6zB-5t2zA:
18.9		 1c6zB-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) 		7 ARG A   8
ASP A  25
GLY A  27
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 None
 0.82A 1c6zB-5t2zA:
18.9		 1c6zB-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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.43A 1c6zB-5t2zA:
18.9		 1c6zB-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
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.57A 1c6zB-5t2zA:
18.9		 1c6zB-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.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 5 GLY A 399
ALA A 400
ASP A 401
ILE A 373
ILE A 378
 None
 1.00A 1c6zB-5xj1A:
undetectable		 1c6zB-5xj1A:
13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4c -

(-) 		no annotation 5 GLY A 116
VAL A 107
ILE A 151
ILE A 121
PRO A  75
 None
 0.91A 1c6zB-6b4cA:
undetectable		 1c6zB-6b4cA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
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)
 0.53A 1c6zB-6fivA:
15.6		 1c6zB-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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.62A 1c6zB-6upjA:
18.1		 1c6zB-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) 		5 ARG A   8
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 None
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.78A 1c6zB-6upjA:
18.1		 1c6zB-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
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.44A 1c6zB-6upjA:
18.1		 1c6zB-6upjA:
49.49