SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDW_A_RITA100_2

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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		5 ALA A  44
GLY A  19
ILE A  20
VAL A  82
ILE A  85
 None
None
SO4  A 283 ( 4.8A)
None
None
 1.13A 3ndwB-1ajzA:
undetectable		 3ndwB-1ajzA:
18.28
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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ALA A  40
ASP A  41
GLY A  89
VAL A   5
ILE A  31
 None
NAD  A 800 (-3.3A)
None
None
None
 1.11A 3ndwB-1fk8A:
undetectable		 3ndwB-1fk8A:
15.95
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ASP A 249
ASP A 179
ILE A 154
VAL A 199
ILE A 182
 MG  A1338 ( 3.8A)
None
None
None
None
 1.04A 3ndwB-1gzgA:
undetectable		 3ndwB-1gzgA:
16.62
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
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.44A 3ndwB-1hvcA:
13.9		 3ndwB-1hvcA:
46.80
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
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.33A 3ndwB-1hvcA:
13.9		 3ndwB-1hvcA:
46.80
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)
 0.70A 3ndwB-1hvcA:
13.9		 3ndwB-1hvcA:
46.80
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 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.78A 3ndwB-1hvcA:
13.9		 3ndwB-1hvcA:
46.80
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 ARG A 317
ALA A 299
ILE A 349
GLY A 340
ILE A 283
 None
 1.04A 3ndwB-1nj8A:
undetectable		 3ndwB-1nj8A:
14.14
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 ASP A 174
ILE A  21
GLY A  49
ILE A  71
ILE A 201
 None
 1.05A 3ndwB-1poiA:
undetectable		 3ndwB-1poiA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 ALA A 140
ILE A  63
GLY A  59
ILE A  58
ILE A 133
 None
 1.01A 3ndwB-1qr7A:
undetectable		 3ndwB-1qr7A:
15.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 0.61A 3ndwB-1sivA:
18.0		 3ndwB-1sivA:
51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 None
 0.75A 3ndwB-1sivA:
18.0		 3ndwB-1sivA:
51.96
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.97A 3ndwB-1to6A:
undetectable		 3ndwB-1to6A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 665
ASP A 664
ILE A 661
GLY A 690
ILE A 668
 None
 1.01A 3ndwB-1u1hA:
undetectable		 3ndwB-1u1hA:
8.39
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ALA A 665
ASP A 664
ILE A 661
GLY A 690
ILE A 726
 None
 1.11A 3ndwB-1u1hA:
undetectable		 3ndwB-1u1hA:
8.39
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 324
ASP A 320
GLY A 279
VAL A 315
ILE A 317
 None
FAD  A1601 (-3.8A)
FAD  A1601 (-3.5A)
None
None
 0.95A 3ndwB-1v5fA:
undetectable		 3ndwB-1v5fA:
11.15
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ARG A 193
ALA A  48
ASP A  47
VAL A  35
ILE A  33
 None
IOD  A 468 ( 4.2A)
None
None
None
 1.08A 3ndwB-1xp4A:
undetectable		 3ndwB-1xp4A:
12.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  55
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.58A 3ndwB-2fmbA:
15.1		 3ndwB-2fmbA:
33.96
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.
2fr5 CYTIDINE DEAMINASE

(Mus musculus) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A 103
ALA A  70
GLY A  39
VAL A 115
ILE A  85
 None
 1.02A 3ndwB-2fr5A:
undetectable		 3ndwB-2fr5A:
20.14
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		6 ALA A  46
ASP A  45
ILE A  11
ILE A 175
VAL A 145
ILE A  50
 None
 1.33A 3ndwB-2iluA:
undetectable		 3ndwB-2iluA:
14.08
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 ARG A 121
ALA A 101
ASP A  99
ILE A  80
ILE A 103
 None
 1.07A 3ndwB-2pigA:
undetectable		 3ndwB-2pigA:
14.29
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
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 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.48A 3ndwB-2rkfA:
20.5		 3ndwB-2rkfA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ALA A 233
ASP A 232
GLY A 355
ILE A 354
VAL A 404
 None
 0.92A 3ndwB-2va8A:
undetectable		 3ndwB-2va8A:
9.52
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.
2wfd LEUCYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Homo sapiens) 		PF00133
(tRNA-synt_1) 		5 ILE A 287
GLY A 315
ILE A 314
VAL A 307
ILE A 357
 None
 1.04A 3ndwB-2wfdA:
undetectable		 3ndwB-2wfdA:
21.52
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ARG A 624
ALA A 610
ASP A 611
ILE A 534
ILE A 613
 SO4  A 999 (-2.9A)
None
None
None
None
 1.02A 3ndwB-2wjvA:
undetectable		 3ndwB-2wjvA:
8.29
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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 ASP A  49
ILE A 115
GLY A  46
ILE A 149
VAL A 167
 None
 1.05A 3ndwB-2xrmA:
undetectable		 3ndwB-2xrmA:
17.01
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.86A 3ndwB-2y23A:
undetectable		 3ndwB-2y23A:
17.79
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.
2yop PROTEIN FAM3B

(Mus musculus) 		PF15711
(ILEI) 		5 ALA A 170
ASP A 169
ILE A 179
GLY A 175
ILE A 142
 None
 1.00A 3ndwB-2yopA:
undetectable		 3ndwB-2yopA:
21.18
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.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		5 ASP A  45
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
EDO  A 269 (-3.4A)
None
None
None
 1.10A 3ndwB-3c26A:
undetectable		 3ndwB-3c26A:
21.30
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.
3dzb PREPHENATE
DEHYDROGENASE

(Streptococcus
thermophilus) 		PF02153
(PDH) 		5 ALA A 136
ASP A 137
GLY A  21
VAL A  50
ILE A  49
 None
 1.06A 3ndwB-3dzbA:
undetectable		 3ndwB-3dzbA:
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 ALA A 141
ASP A 143
ILE A 120
VAL A  33
ILE A  26
 None
 0.96A 3ndwB-3f6rA:
undetectable		 3ndwB-3f6rA:
21.15
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.
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
 0.88A 3ndwB-3fkjA:
undetectable		 3ndwB-3fkjA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2t BASEPLATE STRUCTURAL
PROTEIN GP6

(Escherichia
virus T4) 		no annotation 5 ALA A 471
ASP A 470
GLY A 477
ILE A 476
ILE A 440
 None
 1.13A 3ndwB-3h2tA:
undetectable		 3ndwB-3h2tA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 ALA A 127
ILE A 147
GLY A 131
ILE A  71
ILE A 107
 None
 1.07A 3ndwB-3h5tA:
undetectable		 3ndwB-3h5tA:
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.
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
 1.00A 3ndwB-3i5gA:
undetectable		 3ndwB-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.
3ir3 3-HYDROXYACYL-THIOES
TER DEHYDRATASE 2

(Homo sapiens) 		PF01575
(MaoC_dehydratas) 		5 ALA A 128
GLY A 156
ILE A 112
VAL A 160
ILE A 140
 None
 1.12A 3ndwB-3ir3A:
undetectable		 3ndwB-3ir3A:
20.13
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.
3l1c KINESIN-14 NCD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 ARG A 350
ASP A 580
ILE A 454
GLY A 452
ILE A 430
 None
MG  A 996 ( 3.8A)
None
None
None
 1.04A 3ndwB-3l1cA:
undetectable		 3ndwB-3l1cA:
14.01
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
ALA A  28
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 None
 0.85A 3ndwB-3mwsA:
19.6		 3ndwB-3mwsA:
79.80
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
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.52A 3ndwB-3mwsA:
19.6		 3ndwB-3mwsA:
79.80
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
ALA A  28
ASP A  30
GLY A  48
VAL A  82
ILE A  84
 None
 1.46A 3ndwB-3mwsA:
19.6		 3ndwB-3mwsA:
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 ASP A 131
ALA A  98
ASP A  92
ILE A  94
ILE A 129
 None
 1.11A 3ndwB-3pdiA:
undetectable		 3ndwB-3pdiA:
11.45
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
None
None
NAP  A 372 (-3.1A)
None
 1.07A 3ndwB-3pzrA:
undetectable		 3ndwB-3pzrA:
15.07
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.
3qgm P-NITROPHENYL
PHOSPHATASE (PHO2)

(Archaeoglobus
fulgidus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ASP A  11
ILE A   9
GLY A 218
VAL A 188
ILE A 189
 CA  A 503 (-2.2A)
None
None
None
None
 1.11A 3ndwB-3qgmA:
undetectable		 3ndwB-3qgmA:
18.63
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		5 ASP A 212
ILE A 168
GLY A 205
ILE A 204
ILE A 289
 None
 1.07A 3ndwB-3rmgA:
undetectable		 3ndwB-3rmgA:
13.11
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)
 0.54A 3ndwB-3t3cA:
18.3		 3ndwB-3t3cA:
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.
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
 0.96A 3ndwB-3tsnA:
undetectable		 3ndwB-3tsnA:
13.78
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 0.54A 3ndwB-3ttpA:
19.0		 3ndwB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
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 (-4.7A)
 0.54A 3ndwB-3ttpA:
19.0		 3ndwB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.60A 3ndwB-3u7sA:
19.4		 3ndwB-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		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)
 1.48A 3ndwB-3u7sA:
19.4		 3ndwB-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ALA A  28
ASP A  29
VAL A  82
 None
 0.76A 3ndwB-3uhlA:
16.1		 3ndwB-3uhlA:
80.81
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.
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
 1.05A 3ndwB-3upnA:
undetectable		 3ndwB-3upnA:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
 1.10A 3ndwB-3uw3A:
undetectable		 3ndwB-3uw3A:
13.83
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ASP A 414
ILE A 365
GLY A 339
ILE A 341
VAL A 407
 None
 1.10A 3ndwB-4bb9A:
undetectable		 3ndwB-4bb9A:
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.95A 3ndwB-4c30A:
undetectable		 3ndwB-4c30A:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ALA A 206
ASP A 207
ILE A 203
VAL A 194
ILE A 223
 None
PLP  A1240 (-3.1A)
None
None
None
 1.08A 3ndwB-4cvqA:
undetectable		 3ndwB-4cvqA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF01399
(PCI) 		6 ALA C 127
ASP C 129
GLY C 122
ILE C 121
VAL C  81
ILE C  85
 None
 1.30A 3ndwB-4d10C:
undetectable		 3ndwB-4d10C:
13.40
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.
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
 1.04A 3ndwB-4db1A:
undetectable		 3ndwB-4db1A:
7.66
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 ALA A 355
ILE A  25
GLY A 370
ILE A 369
VAL A 381
 None
 1.08A 3ndwB-4dzhA:
undetectable		 3ndwB-4dzhA:
12.14
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ALA A 365
ILE A 356
GLY A 256
ILE A 257
ILE A 362
 None
None
None
None
AMP  A 602 (-4.3A)
 0.99A 3ndwB-4gvlA:
undetectable		 3ndwB-4gvlA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 365
ILE A 356
GLY A 256
ILE A 257
ILE A 362
 None
None
None
None
PO4  A 608 (-3.8A)
 0.97A 3ndwB-4gx0A:
undetectable		 3ndwB-4gx0A:
9.14
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A  60
ILE A  18
GLY A  55
ILE A  54
ILE A 178
 None
 0.92A 3ndwB-4hkmA:
undetectable		 3ndwB-4hkmA:
14.37
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 ALA A  17
ILE A 118
GLY A 102
ILE A  88
ILE A 105
 None
 1.06A 3ndwB-4n81A:
undetectable		 3ndwB-4n81A:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 3ndwB-4njvA:
20.1		 3ndwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
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 (-4.3A)
 0.70A 3ndwB-4njvA:
20.1		 3ndwB-4njvA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6g PYRROLYSINE--TRNA
LIGASE

(Methanosarcina
mazei) 		PF01409
(tRNA-synt_2d) 		5 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.10A 3ndwB-4q6gA:
undetectable		 3ndwB-4q6gA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 ARG A  27
ALA A 275
GLY A 100
VAL A   7
ILE A  74
 None
 0.95A 3ndwB-4qwvA:
undetectable		 3ndwB-4qwvA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ALA A 234
ASP A 235
ILE A 201
VAL A 216
ILE A 270
 None
PO4  A 802 ( 4.6A)
None
None
None
 1.06A 3ndwB-4u1rA:
undetectable		 3ndwB-4u1rA:
10.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
ASP A  32
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.65A 3ndwB-4ydfA:
12.6		 3ndwB-4ydfA:
32.17
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
 None
 0.76A 3ndwB-4ywlA:
undetectable		 3ndwB-4ywlA:
17.43
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		5 ALA A  78
GLY A 421
ILE A 376
VAL A 166
ILE A 119
 None
 1.11A 3ndwB-4zfmA:
undetectable		 3ndwB-4zfmA:
12.90
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
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.71A 3ndwB-5b18A:
18.1		 3ndwB-5b18A:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cs4 ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ALA A1361
ILE A1385
GLY A1340
ILE A1341
ILE A1425
 None
 1.08A 3ndwB-5cs4A:
undetectable		 3ndwB-5cs4A:
12.15
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		5 ALA A1361
ILE A1385
GLY A1340
ILE A1341
ILE A1425
 None
 1.03A 3ndwB-5csaA:
undetectable		 3ndwB-5csaA:
8.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 ALA A1361
ILE A1385
GLY A1340
ILE A1341
ILE A1425
 None
 1.01A 3ndwB-5cslA:
undetectable		 3ndwB-5cslA:
4.11
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		6 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
ILE A 116
 None
 1.28A 3ndwB-5d01A:
undetectable		 3ndwB-5d01A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3ndwB-5d3mA:
undetectable		 3ndwB-5d3mA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4i CONTACTIN-5

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ASP A 361
ILE A 385
GLY A 364
ILE A 365
ILE A 355
 None
 0.97A 3ndwB-5e4iA:
undetectable		 3ndwB-5e4iA:
12.63
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		5 ALA A 145
GLY A 291
ILE A 290
VAL A 349
ILE A 350
 None
MPG  A 625 ( 3.7A)
MPG  A 625 ( 4.6A)
None
None
 1.00A 3ndwB-5f15A:
undetectable		 3ndwB-5f15A:
10.05
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.
5gw4 T-COMPLEX PROTEIN 1
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ALA g 399
ASP g 398
GLY g 160
ILE g 165
ILE g 155
 None
 1.12A 3ndwB-5gw4g:
undetectable		 3ndwB-5gw4g:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		5 ASP A  77
ILE A 275
GLY A 317
ILE A 318
ILE A  73
 None
 1.11A 3ndwB-5hdmA:
undetectable		 3ndwB-5hdmA:
15.16
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.
5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE

(Corynebacterium
glutamicum) 		PF01474
(DAHP_synth_2) 		5 ALA A  89
ILE A 372
GLY A 417
ILE A 418
ILE A 132
 None
 1.06A 3ndwB-5hucA:
undetectable		 3ndwB-5hucA:
12.44
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.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ALA A1361
ILE A1385
GLY A1340
ILE A1341
ILE A1425
 None
 1.06A 3ndwB-5i6eA:
undetectable		 3ndwB-5i6eA:
9.72
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.
5jx3 URACIL-DNA
GLYCOSYLASE

(Vaccinia virus) 		no annotation 5 ALA A  93
ILE A 217
GLY A 215
ILE A 113
ILE A  89
 None
 1.01A 3ndwB-5jx3A:
undetectable		 3ndwB-5jx3A:
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 ARG C  21
ALA C  73
ASP C  72
ILE C  76
ILE C  30
 None
 1.11A 3ndwB-5mg5C:
undetectable		 3ndwB-5mg5C:
18.87
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 6 ALA A 392
ILE A 344
GLY A 385
ILE A 386
VAL A 160
ILE A 159
 None
 1.27A 3ndwB-5nvaA:
undetectable		 3ndwB-5nvaA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.48A 3ndwB-5t2zA:
19.6		 3ndwB-5t2zA:
80.81
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.
5t3j INOSITOL
MONOPHOSPHATASE

(Medicago
truncatula) 		PF00459
(Inositol_P) 		5 ALA A  74
ILE A 178
GLY A 162
ILE A 148
ILE A 165
 None
 1.11A 3ndwB-5t3jA:
undetectable		 3ndwB-5t3jA:
12.87
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		5 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.13A 3ndwB-5u1wA:
undetectable		 3ndwB-5u1wA:
15.13
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ALA A 259
ILE A 387
GLY A 180
ILE A 181
VAL A 222
 None
 1.10A 3ndwB-5wu7A:
undetectable		 3ndwB-5wu7A:
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ALA A  85
ASP A  84
GLY A 206
VAL A 352
ILE A 262
 None
 1.03A 3ndwB-5xdeA:
undetectable		 3ndwB-5xdeA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 ALA A 246
ILE A  40
ILE A 209
VAL A  81
ILE A  77
 None
 1.00A 3ndwB-6b5iA:
undetectable		 3ndwB-6b5iA:
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.
6bma INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Campylobacter
jejuni) 		no annotation 5 ALA A 237
ASP A 236
ILE A 184
GLY A 186
ILE A  54
 None
 0.81A 3ndwB-6bmaA:
undetectable		 3ndwB-6bmaA:
16.80
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 6 ALA A 357
ASP A 356
GLY A 362
ILE A 364
VAL A  37
ILE A 206
 None
 1.48A 3ndwB-6cc2A:
undetectable		 3ndwB-6cc2A:
20.59
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 6 ALA A 357
ILE A 213
GLY A 362
ILE A 364
VAL A  37
ILE A 206
 None
 1.37A 3ndwB-6cc2A:
undetectable		 3ndwB-6cc2A:
20.59
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 ARG A 129
ALA A 175
ILE A 218
GLY A 156
ILE A 172
 None
 1.12A 3ndwB-6cn1A:
undetectable		 3ndwB-6cn1A:
22.92
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ALA A 627
ASP A 630
ILE A 634
ILE A 666
ILE A 690
 None
 1.11A 3ndwB-6ekvA:
undetectable		 3ndwB-6ekvA:
9.86
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
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.63A 3ndwB-6fivA:
15.1		 3ndwB-6fivA:
30.58
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.07A 3ndwB-6fsaA:
undetectable		 3ndwB-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 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.77A 3ndwB-6upjA:
17.9		 3ndwB-6upjA:
49.49