SIMILAR PATTERNS OF AMINO ACIDS FOR 6DJ2_B_AB1B201

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.
1cnz PROTEIN
(3-ISOPROPYLMALATE
DEHYDROGENASE)

(Salmonella
enterica) 		PF00180
(Iso_dh) 		6 ALA A 287
ASP A 289
ILE A 295
PRO A 298
VAL A  19
ILE A  15
 None
 1.35A 6dj2A-1cnzA:
undetectable		 6dj2A-1cnzA:
11.90
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF01012
(ETF) 		5 ALA B  89
ASP B  90
VAL B 215
VAL B 101
ILE B  96
 None
None
None
AMP  A 400 ( 4.7A)
None
 0.98A 6dj2A-1efpB:
undetectable		 6dj2A-1efpB:
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ALA A 244
GLY A 288
ILE A 292
VAL A 277
ILE A 236
 None
 0.97A 6dj2A-1gq7A:
undetectable		 6dj2A-1gq7A:
19.71
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ALA A  82
VAL A 171
GLY A 320
ILE A 321
ILE A 125
 None
 0.98A 6dj2A-1gzgA:
undetectable		 6dj2A-1gzgA:
16.07
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 ALA A 736
GLY A 631
PRO A1012
VAL A 958
ILE A 943
 None
 1.02A 6dj2A-1hn0A:
undetectable		 6dj2A-1hn0A:
6.12
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) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.99A 6dj2A-1hvcA:
14.0		 6dj2A-1hvcA:
41.30
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 ASP A  25
ALA A  28
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.80A 6dj2A-1hvcA:
14.0		 6dj2A-1hvcA:
41.30
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
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
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 (-4.5A)
A79  A 800 (-3.6A)
 0.65A 6dj2A-1hvcA:
14.0		 6dj2A-1hvcA:
41.30
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
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
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 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.62A 6dj2A-1hvcA:
14.0		 6dj2A-1hvcA:
41.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iio CONSERVED
HYPOTHETICAL PROTEIN
MTH865

(Methanothermobacter
thermautotrophicus) 		PF07747
(MTH865) 		5 ALA A  54
VAL A  76
ILE A   9
VAL A  71
ILE A  75
 None
 0.96A 6dj2A-1iioA:
undetectable		 6dj2A-1iioA:
24.72
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.
1ik6 PYRUVATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A  67
GLY A  69
PRO A  81
VAL A  29
ILE A  58
 None
 0.97A 6dj2A-1ik6A:
undetectable		 6dj2A-1ik6A:
11.14
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.
1kkm HPRK PROTEIN

(Lactobacillus
casei) 		PF07475
(Hpr_kinase_C) 		5 VAL A 260
ILE A 191
GLY A 193
ILE A 176
ILE A 231
 None
 0.96A 6dj2A-1kkmA:
undetectable		 6dj2A-1kkmA:
19.51
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 ALA A 287
ILE A 342
GLY A 345
PRO A 299
VAL A 258
 None
 0.92A 6dj2A-1kxhA:
undetectable		 6dj2A-1kxhA:
10.70
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.
1nrz PTS SYSTEM,
SORBOSE-SPECIFIC IIB
COMPONENT

(Klebsiella
pneumoniae) 		PF03830
(PTSIIB_sorb) 		5 ASP A 127
ILE A   9
GLY A 107
VAL A 152
ILE A 154
 None
 0.96A 6dj2A-1nrzA:
undetectable		 6dj2A-1nrzA:
19.75
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 VAL A  17
ILE A  40
GLY A 109
ILE A 108
VAL A 149
ILE A 150
 None
 1.35A 6dj2A-1poxA:
undetectable		 6dj2A-1poxA:
9.60
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
ASP A  29
VAL A  32
ILE A  84
 None
 0.57A 6dj2A-1q9pA:
10.1		 6dj2A-1q9pA:
98.75
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
 0.80A 6dj2A-1q9pA:
10.1		 6dj2A-1q9pA:
98.75
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ALA A 670
GLY A 604
ILE A 606
VAL A 584
ILE A 680
 None
 1.00A 6dj2A-1qhoA:
undetectable		 6dj2A-1qhoA:
8.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.40A 6dj2A-1sivA:
18.4		 6dj2A-1sivA:
49.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.72A 6dj2A-1sivA:
18.4		 6dj2A-1sivA:
49.40
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.66A 6dj2A-1usyC:
undetectable		 6dj2A-1usyC:
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.93A 6dj2A-1uwwA:
undetectable		 6dj2A-1uwwA:
17.84
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 1.01A 6dj2A-1wdtA:
undetectable		 6dj2A-1wdtA:
6.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ALA A 347
ASP A 348
GLY A 383
ILE A 385
ILE A 342
 None
 0.93A 6dj2A-1x0uA:
undetectable		 6dj2A-1x0uA:
15.08
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A 236
VAL A  90
ILE A  25
GLY A  28
ILE A  88
 None
 0.96A 6dj2A-2b4qA:
undetectable		 6dj2A-2b4qA:
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ALA A 139
VAL A 200
ILE A 105
GLY A 107
ILE A 158
 None
None
None
FAD  A 600 (-3.6A)
None
 0.99A 6dj2A-2bvgA:
undetectable		 6dj2A-2bvgA:
12.59
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 ALA A 116
GLY A 161
ILE A 162
VAL A  22
ILE A  21
 None
 0.97A 6dj2A-2fg5A:
undetectable		 6dj2A-2fg5A:
17.20
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.65A 6dj2A-2fmbA:
14.8		 6dj2A-2fmbA:
28.85
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
VAL A  32
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.13A 6dj2A-2fmbA:
14.8		 6dj2A-2fmbA:
28.85
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.
2glw 92AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 6 ALA A  54
ILE A  29
GLY A  60
ILE A  18
VAL A  82
ILE A  37
 None
 1.09A 6dj2A-2glwA:
undetectable		 6dj2A-2glwA:
21.05
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 235
ASP A 236
GLY A 312
ILE A 310
VAL A 208
 None
None
LLP  A  58 ( 3.5A)
None
None
 0.98A 6dj2A-2gn1A:
undetectable		 6dj2A-2gn1A:
14.24
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		5 ALA 1  58
ILE 1 158
PRO 1 155
VAL 1 171
ILE 1 170
 None
 1.00A 6dj2A-2oap1:
undetectable		 6dj2A-2oap1:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A 122
ILE A  53
GLY A  55
VAL A  10
ILE A   8
 None
None
NDP  A 606 ( 3.2A)
NDP  A 606 ( 3.9A)
None
 1.02A 6dj2A-2oipA:
undetectable		 6dj2A-2oipA:
9.77
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.
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 6dj2A-2p3eA:
undetectable		 6dj2A-2p3eA:
13.71
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		5 ALA A 145
ASP A   2
VAL A  29
VAL A   8
ILE A   6
 None
None
None
FAD  A 500 (-4.8A)
None
 1.01A 6dj2A-2qa1A:
undetectable		 6dj2A-2qa1A:
9.02
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
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.82A 6dj2A-2rkfA:
20.6		 6dj2A-2rkfA:
80.00
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 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
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)
AB1  A 501 ( 4.2A)
 0.44A 6dj2A-2rkfA:
20.6		 6dj2A-2rkfA:
80.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.80A 6dj2A-2y23A:
undetectable		 6dj2A-2y23A:
13.87
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.
2z2u UPF0026 PROTEIN
MJ0257

(Methanocaldococcus
jannaschii) 		PF04055
(Radical_SAM)
PF08608
(Wyosine_form) 		5 VAL A 161
ILE A 174
ILE A 151
VAL A 131
ILE A 133
 None
 0.96A 6dj2A-2z2uA:
undetectable		 6dj2A-2z2uA:
15.26
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		6 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 6dj2A-3b8bA:
undetectable		 6dj2A-3b8bA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ALA A 193
ASP A 194
ILE A 184
VAL A 146
ILE A 144
 None
 0.89A 6dj2A-3fgbA:
undetectable		 6dj2A-3fgbA:
12.03
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.
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
 0.89A 6dj2A-3fkjA:
undetectable		 6dj2A-3fkjA:
11.28
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		5 ALA A  54
VAL A  85
GLY A  70
ILE A 355
ILE A  44
 None
 0.89A 6dj2A-3i1iA:
undetectable		 6dj2A-3i1iA:
11.67
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.
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
 0.97A 6dj2A-3i5gA:
undetectable		 6dj2A-3i5gA:
6.84
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.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN

(Legionella
pneumophila) 		PF00497
(SBP_bac_3) 		5 ASP A  46
GLY A 208
ILE A  88
VAL A  83
ILE A  84
 None
 0.95A 6dj2A-3kzgA:
undetectable		 6dj2A-3kzgA:
15.84
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 VAL A 437
ILE A 636
GLY A 605
VAL A 580
ILE A 578
 None
 0.98A 6dj2A-3lk6A:
undetectable		 6dj2A-3lk6A:
9.90
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
ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.94A 6dj2A-3mwsA:
20.1		 6dj2A-3mwsA:
75.00
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 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.55A 6dj2A-3mwsA:
20.1		 6dj2A-3mwsA:
75.00
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
ALA A  28
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.34A 6dj2A-3mwsA:
20.1		 6dj2A-3mwsA:
75.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 VAL B 154
GLY B 112
ILE B 115
VAL B 147
ILE B 153
 None
 0.89A 6dj2A-3qkcB:
undetectable		 6dj2A-3qkcB:
13.60
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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		5 ALA A 194
ASP A 195
ILE A 185
VAL A 147
ILE A 145
 None
 0.87A 6dj2A-3scyA:
undetectable		 6dj2A-3scyA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.86A 6dj2A-3slzA:
11.1		 6dj2A-3slzA:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.81A 6dj2A-3t3cA:
18.5		 6dj2A-3t3cA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.65A 6dj2A-3t3cA:
18.5		 6dj2A-3t3cA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  47
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-3.3A)
 0.58A 6dj2A-3t3cA:
18.5		 6dj2A-3t3cA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-3.3A)
None
 0.73A 6dj2A-3t3cA:
18.5		 6dj2A-3t3cA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.90A 6dj2A-3ttpA:
19.6		 6dj2A-3ttpA:
75.00
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.41A 6dj2A-3ttpA:
19.6		 6dj2A-3ttpA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.20A 6dj2A-3ttpA:
19.6		 6dj2A-3ttpA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
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)
 1.37A 6dj2A-3ttpA:
19.6		 6dj2A-3ttpA:
75.00
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
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
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)
017  A 202 (-4.0A)
 0.66A 6dj2A-3u7sA:
19.8		 6dj2A-3u7sA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 1.32A 6dj2A-3u7sA:
19.8		 6dj2A-3u7sA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.56A 6dj2A-3uhlA:
16.3		 6dj2A-3uhlA:
80.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 ALA A 164
ILE A 483
GLY A 479
ILE A 478
ILE A 142
 None
 0.89A 6dj2A-3upnA:
undetectable		 6dj2A-3upnA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 0.95A 6dj2A-3w8gA:
undetectable		 6dj2A-3w8gA:
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.90A 6dj2A-4ao7A:
undetectable		 6dj2A-4ao7A:
18.27
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.
4bem F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii) 		PF00137
(ATP-synt_C) 		5 ALA J 172
GLY J 165
ILE J 166
VAL J  87
ILE J  88
 None
None
None
HTG  J1187 (-4.5A)
None
 0.93A 6dj2A-4bemJ:
undetectable		 6dj2A-4bemJ:
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.
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
 0.87A 6dj2A-4db1A:
undetectable		 6dj2A-4db1A:
7.23
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.86A 6dj2A-4doiA:
undetectable		 6dj2A-4doiA:
19.10
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ALA A 284
ILE A 201
GLY A 346
VAL A 234
ILE A 232
 None
 0.92A 6dj2A-4fj6A:
undetectable		 6dj2A-4fj6A:
10.82
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 ALA A  40
GLY A  33
ILE A  32
VAL A  79
ILE A  52
 None
GOL  A 401 ( 4.1A)
None
None
None
 1.01A 6dj2A-4gm6A:
undetectable		 6dj2A-4gm6A:
14.42
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.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ALA A 235
VAL A  92
ILE A  27
GLY A  30
ILE A  90
 None
 0.97A 6dj2A-4imrA:
undetectable		 6dj2A-4imrA:
14.18
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.
4mde METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF13671
(AAA_33) 		5 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 1.02A 6dj2A-4mdeA:
undetectable		 6dj2A-4mdeA:
18.93
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 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.82A 6dj2A-4njvA:
20.8		 6dj2A-4njvA:
85.00
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
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
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 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 6dj2A-4njvA:
20.8		 6dj2A-4njvA:
85.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 ASP A 290
VAL A 287
GLY A 409
ILE A 370
VAL A 297
 None
 0.96A 6dj2A-4q0gA:
undetectable		 6dj2A-4q0gA:
13.48
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		5 VAL A 795
ILE A 769
GLY A 838
PRO A 772
VAL A 773
 None
 1.01A 6dj2A-4u48A:
undetectable		 6dj2A-4u48A:
4.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 ILE A 355
GLY A 422
ILE A 421
VAL A 404
ILE A  59
 ICS  A1496 (-4.1A)
None
None
None
None
 1.01A 6dj2A-4wzbA:
undetectable		 6dj2A-4wzbA:
10.80
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ALA A 343
ASP A 344
ILE A 246
GLY A 493
ILE A 277
 None
 1.00A 6dj2A-4xhbA:
undetectable		 6dj2A-4xhbA:
8.69
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.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
ALA A  35
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.42A 6dj2A-4ydfA:
13.0		 6dj2A-4ydfA:
26.72
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 VAL A 221
ILE A 187
GLY A 205
ILE A 206
VAL A 214
 None
 0.83A 6dj2A-4ywlA:
undetectable		 6dj2A-4ywlA:
17.47
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.
5aoz PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		5 ASP A 443
VAL A 496
ILE A 535
GLY A 533
ILE A 448
 None
 1.01A 6dj2A-5aozA:
undetectable		 6dj2A-5aozA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 ALA A 153
GLY A  87
ILE A 166
VAL A 186
ILE A 154
 None
 1.00A 6dj2A-5d3mA:
undetectable		 6dj2A-5d3mA:
17.07
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 VAL A 201
ILE A  88
GLY A  90
VAL A  27
ILE A  29
 None
 0.90A 6dj2A-5epaA:
undetectable		 6dj2A-5epaA:
14.77
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.
5fmg PROTEASOME, PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ASP H 157
VAL H  12
ILE H  37
VAL H 231
ILE H 233
 None
 0.82A 6dj2A-5fmgH:
undetectable		 6dj2A-5fmgH:
14.63
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.
5hsp MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 0.93A 6dj2A-5hspA:
undetectable		 6dj2A-5hspA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR

(Homo sapiens) 		PF00009
(GTP_EFTU) 		5 ALA A 315
VAL A 428
GLY A 346
VAL A 319
ILE A 317
 None
 0.99A 6dj2A-5izkA:
undetectable		 6dj2A-5izkA:
9.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2s PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 5 ASP A  47
VAL A  99
ILE A 138
GLY A 136
ILE A  52
 GOL  A 203 (-3.7A)
None
None
None
None
 1.01A 6dj2A-5m2sA:
undetectable		 6dj2A-5m2sA:
17.12
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.
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
 0.97A 6dj2A-5nvaA:
undetectable		 6dj2A-5nvaA:
18.18
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
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.55A 6dj2A-5t2zA:
20.0		 6dj2A-5t2zA:
78.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 1.32A 6dj2A-5t2zA:
20.0		 6dj2A-5t2zA:
78.75
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 ALA A 260
ASP A 261
VAL A 219
GLY A 457
ILE A 456
 None
 0.87A 6dj2A-5w1aA:
undetectable		 6dj2A-5w1aA:
19.77
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.
5wp0 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Aliivibrio
fischeri) 		PF02540
(NAD_synthase) 		5 ALA A 151
VAL A  78
ILE A  41
GLY A 157
ILE A 106
 None
 1.01A 6dj2A-5wp0A:
undetectable		 6dj2A-5wp0A:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ALA A 243
ASP A 244
GLY A 322
ILE A 290
VAL A 214
 None
None
LLP  A  63 ( 3.8A)
None
None
 0.91A 6dj2A-5ybwA:
undetectable		 6dj2A-5ybwA:
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.
6dft -

(-) 		no annotation 5 VAL A 440
GLY A  96
ILE A 369
VAL A 435
ILE A 439
 None
 1.02A 6dj2A-6dftA:
undetectable		 6dj2A-6dftA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.66A 6dj2A-6fivA:
15.4		 6dj2A-6fivA:
30.91
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.
6fsa -

(-) 		no annotation 5 ALA A 261
ASP A 262
GLY A 458
ILE A 457
ILE A 220
 None
 0.88A 6dj2A-6fsaA:
undetectable		 6dj2A-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) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.96A 6dj2A-6upjA:
18.0		 6dj2A-6upjA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.98A 6dj2A-6upjA:
18.0		 6dj2A-6upjA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 1.38A 6dj2A-6upjA:
18.0		 6dj2A-6upjA:
47.50
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 GLY B 274
ALA B 275
ILE B   8
GLY B 189
VAL B 131
 None
 0.85A 6dj2B-1bouB:
undetectable		 6dj2B-1bouB:
14.43
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		6 GLY A  40
ALA A  39
ASP A  38
VAL A 324
ILE A  35
ILE A  44
 None
 1.16A 6dj2B-1fobA:
undetectable		 6dj2B-1fobA:
11.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
ILE A  50
PRO A  81
 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 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.80A 6dj2B-1hvcA:
13.7		 6dj2B-1hvcA:
41.30
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) 		7 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
VAL A  82
 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 ( 3.4A)
A79  A 800 (-4.5A)
 0.60A 6dj2B-1hvcA:
13.7		 6dj2B-1hvcA:
41.30
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
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.57A 6dj2B-1hvcA:
13.7		 6dj2B-1hvcA:
41.30
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 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
PRO A  81
VAL A  82
 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 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.72A 6dj2B-1hvcA:
13.7		 6dj2B-1hvcA:
41.30
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
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
 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 ( 3.4A)
A79  A 800 (-4.5A)
 0.61A 6dj2B-1hvcA:
13.7		 6dj2B-1hvcA:
41.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  75
ILE A  61
 None
 0.82A 6dj2B-1p2fA:
undetectable		 6dj2B-1p2fA:
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ARG A 287
ASP A 282
GLY A 698
ALA A 697
GLY A 726
 None
 0.89A 6dj2B-1q8yA:
undetectable		 6dj2B-1q8yA:
12.76
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.41A 6dj2B-1q9pA:
10.1		 6dj2B-1q9pA:
98.75
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 None
 0.79A 6dj2B-1q9pA:
10.1		 6dj2B-1q9pA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.63A 6dj2B-1sivA:
18.8		 6dj2B-1sivA:
49.40
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		6 GLY A 416
ALA A 417
ASP A 418
ILE A 395
ILE A 346
VAL A 360
 None
 1.10A 6dj2B-1vrgA:
undetectable		 6dj2B-1vrgA:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		6 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
VAL A 368
 None
 1.16A 6dj2B-1x0uA:
undetectable		 6dj2B-1x0uA:
15.08
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 539
ALA A 538
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.08A 6dj2B-1yr2A:
undetectable		 6dj2B-1yr2A:
7.62
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 ARG A 250
GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 0.93A 6dj2B-1yw6A:
undetectable		 6dj2B-1yw6A:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 497
ALA A 496
ASP A 495
GLY A 487
PRO A 431
VAL A 430
 None
 1.09A 6dj2B-2bklA:
undetectable		 6dj2B-2bklA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		5 GLY A 192
ALA A 193
ASP A 194
ILE A 134
ILE A 120
 None
 0.77A 6dj2B-2ejaA:
undetectable		 6dj2B-2ejaA:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ASP A  29
ILE A  53
PRO A  86
VAL A  87
 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)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.64A 6dj2B-2fmbA:
15.0		 6dj2B-2fmbA:
28.85
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.
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
PRO A  86
 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 (-3.9A)
 0.57A 6dj2B-2fmbA:
15.0		 6dj2B-2fmbA:
28.85
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.
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
PRO A  86
VAL A  87
 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 (-3.9A)
LP1  A 201 ( 4.9A)
 0.58A 6dj2B-2fmbA:
15.0		 6dj2B-2fmbA:
28.85
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  54
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.6A)
 0.93A 6dj2B-2fmbA:
15.0		 6dj2B-2fmbA:
28.85
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		6 GLY A 174
ALA A 175
VAL A 178
ILE A 182
GLY A 185
ILE A 170
 None
 1.46A 6dj2B-2fymA:
undetectable		 6dj2B-2fymA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.79A 6dj2B-2isqA:
undetectable		 6dj2B-2isqA:
14.24
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 288
ASP A  70
VAL A 294
GLY A 255
VAL A 302
 None
 0.97A 6dj2B-2og2A:
undetectable		 6dj2B-2og2A:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 GLY A 179
ALA A 180
ASP A 181
ILE A 149
VAL A 120
 None
 0.91A 6dj2B-2qjgA:
undetectable		 6dj2B-2qjgA:
15.87
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 GLY A 728
ALA A 727
ASP A 755
VAL A 774
ILE A 780
 None
 0.91A 6dj2B-2qmaA:
undetectable		 6dj2B-2qmaA:
10.54
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 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 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.47A 6dj2B-2rkfA:
20.4		 6dj2B-2rkfA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.76A 6dj2B-2rspA:
12.7		 6dj2B-2rspA:
30.08
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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		5 GLY A  28
ALA A  27
ILE A  66
GLY A  99
ILE A 102
 None
None
SAH  A 301 (-4.1A)
None
None
 0.95A 6dj2B-2wk1A:
undetectable		 6dj2B-2wk1A:
14.81
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.
3afo NADH KINASE POS5

(Saccharomyces
cerevisiae) 		PF01513
(NAD_kinase) 		5 ALA A  48
ASP A  49
ILE A  62
ILE A 195
VAL A 383
 None
 0.95A 6dj2B-3afoA:
undetectable		 6dj2B-3afoA:
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.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A 164
ALA A 165
ILE A 149
GLY A 120
ILE A 119
 None
 0.89A 6dj2B-3c24A:
undetectable		 6dj2B-3c24A:
14.72
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		6 ARG A 102
GLY A 107
ALA A 108
ASP A 109
ILE A  59
VAL A  63
 None
 1.27A 6dj2B-3gt7A:
undetectable		 6dj2B-3gt7A:
21.05
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.88A 6dj2B-3i5gA:
undetectable		 6dj2B-3i5gA:
6.84
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.
3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2

(Salmonella
enterica) 		PF04131
(NanE) 		5 GLY A 146
ALA A 147
ASP A 148
VAL A 104
ILE A 122
 None
 0.85A 6dj2B-3igsA:
undetectable		 6dj2B-3igsA:
16.40
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 GLY A 112
ASP A  55
GLY A   9
ILE A   8
VAL A  75
 None
 0.80A 6dj2B-3ipwA:
undetectable		 6dj2B-3ipwA:
14.75
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4099
ALA A4098
VAL A4042
ILE A3991
GLY A3993
 None
 0.82A 6dj2B-3kciA:
undetectable		 6dj2B-3kciA:
12.07
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 0.93A 6dj2B-3kf3A:
undetectable		 6dj2B-3kf3A:
10.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 1.11A 6dj2B-3mwsA:
19.4		 6dj2B-3mwsA:
75.00
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) 		12 ARG A   8
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
PRO A  81
VAL A  82
 None
 0.57A 6dj2B-3mwsA:
19.4		 6dj2B-3mwsA:
75.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE

(Campylobacter
jejuni) 		PF00464
(SHMT) 		5 GLY A 206
ALA A 205
ILE A 199
PRO A 360
VAL A 284
 None
 0.95A 6dj2B-3n0lA:
undetectable		 6dj2B-3n0lA:
12.96
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 GLY A 346
ASP A 349
VAL A 336
GLY A 420
ILE A 419
 None
CA  A 800 (-2.9A)
None
None
None
 0.97A 6dj2B-3njxA:
undetectable		 6dj2B-3njxA:
10.92
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.
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
 0.84A 6dj2B-3nnsA:
undetectable		 6dj2B-3nnsA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		6 GLY A 224
ALA A 225
ASP A 226
ILE A 260
ILE A 192
VAL A 207
 PO4  A 767 ( 4.6A)
None
None
None
None
None
 1.21A 6dj2B-3o8lA:
undetectable		 6dj2B-3o8lA:
8.52
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		6 GLY A 414
ALA A 415
ASP A 416
ILE A 451
ILE A 382
VAL A 397
 None
 1.29A 6dj2B-3o8oA:
undetectable		 6dj2B-3o8oA:
8.03
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.
3pqs TRANSFERRIN-BINDING
PROTEIN

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		6 GLY A 463
ALA A 454
ASP A 455
VAL A 429
ILE A 456
GLY A 460
 None
 1.11A 6dj2B-3pqsA:
undetectable		 6dj2B-3pqsA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.55A 6dj2B-3slzA:
11.1		 6dj2B-3slzA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.73A 6dj2B-3slzA:
11.1		 6dj2B-3slzA:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
GLY A  27
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.93A 6dj2B-3t3cA:
18.0		 6dj2B-3t3cA:
75.00
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) 		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
PRO A  81
 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)
None
 0.96A 6dj2B-3t3cA:
18.0		 6dj2B-3t3cA:
75.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		5 GLY A 235
ALA A 236
ASP A 237
ILE A 217
ILE A 206
 None
 0.71A 6dj2B-3t44A:
undetectable		 6dj2B-3t44A:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
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 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.44A 6dj2B-3ttpA:
19.3		 6dj2B-3ttpA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.43A 6dj2B-3u7sA:
19.6		 6dj2B-3u7sA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   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
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 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.70A 6dj2B-3u7sA:
19.6		 6dj2B-3u7sA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.65A 6dj2B-3uhlA:
15.8		 6dj2B-3uhlA:
80.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
ILE A  35
VAL A   9
 None
 0.76A 6dj2B-4b2oA:
undetectable		 6dj2B-4b2oA:
14.63
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 ALA A 355
ILE A  25
GLY A 370
ILE A 369
VAL A 381
 None
 0.92A 6dj2B-4dzhA:
undetectable		 6dj2B-4dzhA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ezd UREA TRANSPORTER 1

(Bos taurus) 		PF03253
(UT) 		5 GLY A 333
VAL A  64
ILE A 228
GLY A 230
ILE A 130
 SEY  A 401 (-3.6A)
None
None
SEY  A 401 ( 4.0A)
None
 0.95A 6dj2B-4ezdA:
undetectable		 6dj2B-4ezdA:
12.26
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ARG A 184
GLY A 191
ALA A 190
ASP A 220
GLY A 227
 None
 0.77A 6dj2B-4ictA:
undetectable		 6dj2B-4ictA:
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.
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
 0.78A 6dj2B-4ilkA:
undetectable		 6dj2B-4ilkA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 173
ASP A 201
VAL A 224
ILE A 202
PRO A 219
 None
LLP  A 230 ( 2.9A)
None
None
None
 0.92A 6dj2B-4j5uA:
undetectable		 6dj2B-4j5uA:
11.81
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 276
ALA A 301
ASP A 304
ILE A 273
ILE A 184
 None
 0.94A 6dj2B-4jgaA:
undetectable		 6dj2B-4jgaA:
10.09
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans) 		PF01012
(ETF) 		5 GLY B  77
ALA B  78
ASP B  79
VAL B   5
ILE B   3
 None
 0.95A 6dj2B-4kpuB:
undetectable		 6dj2B-4kpuB:
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.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		6 GLY A 107
ALA A 106
ASP A 129
VAL A 153
ILE A  74
GLY A  80
 None
 1.38A 6dj2B-4m0dA:
undetectable		 6dj2B-4m0dA:
19.70
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.
4m98 PILIN GLYCOSYLATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF00132
(Hexapep) 		5 GLY A 302
VAL A 295
ILE A 289
ILE A 324
VAL A 331
 None
 0.96A 6dj2B-4m98A:
undetectable		 6dj2B-4m98A:
19.43
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 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.83A 6dj2B-4njvA:
20.0		 6dj2B-4njvA:
85.00
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
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.57A 6dj2B-4njvA:
20.0		 6dj2B-4njvA:
85.00
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
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.54A 6dj2B-4njvA:
20.0		 6dj2B-4njvA:
85.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 672
ALA A 671
GLY A 666
ILE A 665
VAL A 545
 None
 0.86A 6dj2B-4oqjA:
undetectable		 6dj2B-4oqjA:
8.33
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.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		6 ALA A 194
ASP A 144
VAL A 182
GLY A 147
ILE A 148
PRO A 188
 None
 1.42A 6dj2B-4pcgA:
undetectable		 6dj2B-4pcgA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		6 ALA A 194
ASP A 195
ASP A 144
VAL A 182
GLY A 147
PRO A 188
 None
 1.30A 6dj2B-4pcgA:
undetectable		 6dj2B-4pcgA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		6 ALA A 191
ASP A 144
VAL A 179
GLY A 147
ILE A 148
PRO A 185
 None
 1.41A 6dj2B-4pchA:
undetectable		 6dj2B-4pchA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		6 ALA A 191
ASP A 192
ASP A 144
VAL A 179
GLY A 147
PRO A 185
 None
 1.30A 6dj2B-4pchA:
undetectable		 6dj2B-4pchA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phq HEMOLYSIN E,
CHROMOSOMAL

(Escherichia
coli) 		PF06109
(HlyE) 		5 GLY A  22
ALA A  23
ILE A 247
ILE A 253
VAL A 119
 None
 0.93A 6dj2B-4phqA:
undetectable		 6dj2B-4phqA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 ASP A 290
VAL A 287
GLY A 409
ILE A 370
VAL A 297
 None
 0.89A 6dj2B-4q0gA:
undetectable		 6dj2B-4q0gA:
13.48
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.92A 6dj2B-4tqkA:
undetectable		 6dj2B-4tqkA:
11.08
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 GLY A 396
ALA A  93
VAL A  78
PRO A 332
VAL A 331
 None
 0.95A 6dj2B-4us4A:
undetectable		 6dj2B-4us4A:
10.40
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 0.96A 6dj2B-4xvoA:
undetectable		 6dj2B-4xvoA:
16.98
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.
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
GLY A  58
 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 (-3.4A)
 0.65A 6dj2B-4ydfA:
12.4		 6dj2B-4ydfA:
26.72
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.
4ywk CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		6 GLY A 225
VAL A 221
ILE A 187
GLY A 205
ILE A 206
VAL A 214
 None
 1.14A 6dj2B-4ywkA:
undetectable		 6dj2B-4ywkA:
17.82
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ARG A  94
VAL A 221
ILE A 187
GLY A 205
ILE A 206
 None
 0.93A 6dj2B-4ywlA:
undetectable		 6dj2B-4ywlA:
17.47
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.
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
 0.74A 6dj2B-4ywlA:
undetectable		 6dj2B-4ywlA:
17.47
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 VAL A 221
ILE A 187
GLY A 205
ILE A 206
VAL A 214
 None
 0.89A 6dj2B-4ywlA:
undetectable		 6dj2B-4ywlA:
17.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
 0.63A 6dj2B-5b18A:
18.0		 6dj2B-5b18A:
72.50
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLY e 317
ALA e 318
ASP e 319
GLY e 375
VAL e 363
 None
 0.97A 6dj2B-5gw5e:
undetectable		 6dj2B-5gw5e:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		6 GLY A 124
ALA A 123
ASP A  81
ILE A  79
GLY A 173
VAL A 163
 None
 1.48A 6dj2B-5h6sA:
undetectable		 6dj2B-5h6sA:
9.48
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 ASP A 209
ASP A 210
ILE A 165
GLY A 202
ILE A 201
 None
 0.94A 6dj2B-5h9dA:
undetectable		 6dj2B-5h9dA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 GLY A 431
ALA A 432
ASP A 433
ILE A 410
ILE A 361
 None
 0.88A 6dj2B-5infA:
undetectable		 6dj2B-5infA:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 0.85A 6dj2B-5n4lA:
undetectable		 6dj2B-5n4lA:
19.77
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 123
ALA A 124
ILE A 146
GLY A  98
ILE A  99
 None
None
NAP  A1001 (-4.6A)
NAP  A1001 (-3.4A)
NAP  A1001 (-4.5A)
 0.96A 6dj2B-5ovlA:
undetectable		 6dj2B-5ovlA:
19.75
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 None
 0.53A 6dj2B-5t2zA:
20.0		 6dj2B-5t2zA:
78.75
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
PRO A  81
 None
 0.54A 6dj2B-5t2zA:
20.0		 6dj2B-5t2zA:
78.75
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 GLY A1123
ILE A 105
GLY A1130
ILE A1131
VAL A1114
 None
 0.90A 6dj2B-5uakA:
undetectable		 6dj2B-5uakA:
3.52
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.
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)
 0.90A 6dj2B-5ufmA:
undetectable		 6dj2B-5ufmA:
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.
5x88 CUTINASE

(Malbranchea
cinnamomea) 		no annotation 6 GLY A 114
ALA A 115
VAL A 136
ILE A 151
GLY A 120
ILE A  87
 None
 1.30A 6dj2B-5x88A:
undetectable		 6dj2B-5x88A:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 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)
 0.56A 6dj2B-6fivA:
15.6		 6dj2B-6fivA:
30.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
None
 0.68A 6dj2B-6fivA:
15.6		 6dj2B-6fivA:
30.91
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 (-3.9A)
None
 0.82A 6dj2B-6upjA:
17.8		 6dj2B-6upjA:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.48A 6dj2B-6upjA:
17.8		 6dj2B-6upjA:
47.50
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
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.81A 6dj2B-6upjA:
17.8		 6dj2B-6upjA:
47.50