SIMILAR PATTERNS OF AMINO ACIDS FOR 2IDW_B_017B401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		5 LEU A 165
GLY A  88
ILE A 114
ALA A 161
ILE A 162
 None
NAD  A 300 ( 3.9A)
NAD  A 300 ( 4.3A)
None
None
 0.99A 2idwA-1bdbA:
undetectable		 2idwA-1bdbA:
17.92
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 LEU A 263
ILE A 167
GLY A 150
ILE A 149
ALA A 256
 None
 0.93A 2idwA-1dqsA:
undetectable		 2idwA-1dqsA:
14.50
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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 LEU A  95
ASP A  87
GLY A  43
ALA A 421
ILE A  89
 None
 1.01A 2idwA-1ewkA:
undetectable		 2idwA-1ewkA:
14.11
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.91A 2idwA-1gaeO:
undetectable		 2idwA-1gaeO:
17.70
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.60A 2idwA-1hvcA:
14.1		 2idwA-1hvcA:
46.31
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.49A 2idwA-1hvcA:
14.1		 2idwA-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 426
ALA A 456
GLY A 462
ALA A 442
ILE A 445
 None
 1.02A 2idwA-1kblA:
undetectable		 2idwA-1kblA:
8.45
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 VAL X 440
ILE X 456
ILE X 400
ALA X 410
ILE X 412
 None
 0.74A 2idwA-1ogoX:
undetectable		 2idwA-1ogoX:
11.69
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  30
VAL A  32
ILE A  84
 None
 0.54A 2idwA-1q9pA:
10.1		 2idwA-1q9pA:
98.95
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.
1sg3 ALLANTOICASE

(Saccharomyces
cerevisiae) 		PF03561
(Allantoicase) 		5 ALA A 199
VAL A 325
ILE A 262
ALA A 248
ILE A 250
 None
 0.86A 2idwA-1sg3A:
undetectable		 2idwA-1sg3A:
15.43
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  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 2idwA-1sivA:
18.3		 2idwA-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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.53A 2idwA-1sivA:
18.3		 2idwA-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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.97A 2idwA-1v5fA:
undetectable		 2idwA-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.
1vkd CONSERVED
HYPOTHETICAL PROTEIN
TM1225

(Thermotoga
maritima) 		PF04041
(Glyco_hydro_130) 		5 ALA A 287
ILE A 314
GLY A 312
ALA A 246
ILE A 229
 None
 1.14A 2idwA-1vkdA:
undetectable		 2idwA-1vkdA:
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		5 LEU A 113
VAL A  73
ILE A  70
GLY A 106
ILE A  64
 None
 0.98A 2idwA-1vq0A:
undetectable		 2idwA-1vq0A:
17.23
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU B 217
ALA B 208
VAL B 314
ILE B 257
ALA B 220
 None
 1.15A 2idwA-1w85B:
undetectable		 2idwA-1w85B:
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 LEU A 163
VAL A 144
GLY A 135
ALA A 156
ILE A 158
 None
 0.76A 2idwA-1woqA:
undetectable		 2idwA-1woqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LEU A 350
ASP A 207
VAL A 209
ILE A 203
ILE A 228
 None
 0.98A 2idwA-1wy2A:
undetectable		 2idwA-1wy2A:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x94 PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Vibrio cholerae) 		PF13580
(SIS_2) 		5 LEU A 115
ALA A 156
GLY A 122
ALA A 130
ILE A 131
 None
 1.10A 2idwA-1x94A:
undetectable		 2idwA-1x94A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 LEU A 136
VAL A  94
ILE A  55
ALA A  92
ILE A 133
 None
 1.11A 2idwA-2a9vA:
undetectable		 2idwA-2a9vA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		6 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ALA A  50
ILE A  47
 None
 1.06A 2idwA-2bb0A:
undetectable		 2idwA-2bb0A:
14.29
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 LEU A  52
VAL A  89
ILE A 119
ILE A 248
ILE A 291
 None
 1.01A 2idwA-2cl2A:
undetectable		 2idwA-2cl2A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 LEU A  85
ASP A  77
GLY A  37
ALA A 401
ILE A  79
 None
 1.13A 2idwA-2e4uA:
undetectable		 2idwA-2e4uA:
11.73
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 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.53A 2idwA-2fmbA:
14.9		 2idwA-2fmbA:
33.02
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 ALA A 509
ILE A 456
GLY A 430
ALA A 450
ILE A 100
 None
 1.01A 2idwA-2gq3A:
undetectable		 2idwA-2gq3A:
9.98
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		5 LEU A  74
ALA A  42
VAL A 112
ILE A  10
ILE A  22
 None
 0.98A 2idwA-2hb6A:
undetectable		 2idwA-2hb6A:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hwy PROTEIN SMG5

(Homo sapiens) 		PF13638
(PIN_4) 		5 VAL A 882
ILE A 871
GLY A 905
ILE A 906
ILE A 920
 None
 1.07A 2idwA-2hwyA:
undetectable		 2idwA-2hwyA:
19.87
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 ALA A  41
ILE A   5
GLY A  16
ILE A  15
ALA A  93
 None
 1.09A 2idwA-2imhA:
undetectable		 2idwA-2imhA:
19.11
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.
2q2h SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE

(Agrobacterium
fabrum) 		PF01588
(tRNA_bind) 		5 LEU A  62
VAL A  21
ILE A  46
ALA A  23
ILE A  20
 None
 0.96A 2idwA-2q2hA:
undetectable		 2idwA-2q2hA:
25.83
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.
2q2i SECRETION CHAPERONE

(Agrobacterium
fabrum) 		PF01588
(tRNA_bind) 		5 LEU A  62
VAL A  21
ILE A  46
ALA A  23
ILE A  20
 None
 0.94A 2idwA-2q2iA:
undetectable		 2idwA-2q2iA:
23.93
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.45A 2idwA-2rkfA:
20.9		 2idwA-2rkfA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 ALA A 249
VAL A  11
ILE A 272
ALA A   9
ILE A  34
 None
FAD  A 600 (-4.7A)
None
None
None
 1.01A 2idwA-2yg6A:
undetectable		 2idwA-2yg6A:
12.83
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.
2yvq CARBAMOYL-PHOSPHATE
SYNTHASE

(Homo sapiens) 		PF02142
(MGS) 		5 ASP A1429
GLY A1361
ILE A1362
ALA A1456
ILE A1427
 None
 1.14A 2idwA-2yvqA:
undetectable		 2idwA-2yvqA:
22.30
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.
3cjd TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Jannaschia sp.
CCS1) 		PF00440
(TetR_N)
PF13305
(WHG) 		5 LEU A  32
ALA A 110
GLY A  64
ALA A  20
ILE A  24
 None
 0.91A 2idwA-3cjdA:
undetectable		 2idwA-3cjdA:
20.81
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 ALA A  96
VAL A 106
ILE A 111
ALA A 136
ILE A 100
 None
 1.03A 2idwA-3d79A:
undetectable		 2idwA-3d79A:
21.60
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A 179
GLY A 267
ILE A 266
ALA A 357
ILE A 177
 None
 1.06A 2idwA-3e60A:
undetectable		 2idwA-3e60A:
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.
3eix HTSA PROTEIN

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 LEU A 134
ASP A 118
ILE A  78
ALA A 122
ILE A 120
 None
 1.12A 2idwA-3eixA:
undetectable		 2idwA-3eixA:
16.34
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.
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 2idwA-3fkjA:
undetectable		 2idwA-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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		5 ASP A 419
GLY A 302
ILE A 305
PRO A 430
ALA A 429
 None
 0.90A 2idwA-3gzsA:
undetectable		 2idwA-3gzsA:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htn PUTATIVE DNA BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03479
(DUF296) 		5 LEU A 117
VAL A 136
GLY A  89
ILE A 152
ILE A 114
 None
 1.14A 2idwA-3htnA:
undetectable		 2idwA-3htnA:
22.37
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 LEU E 158
ASP E 198
GLY E 183
ALA E  94
ILE E 200
 None
 1.15A 2idwA-3kfuE:
undetectable		 2idwA-3kfuE:
12.95
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A 179
GLY A 267
ILE A 266
ALA A 357
ILE A 177
 None
 1.01A 2idwA-3kzuA:
undetectable		 2idwA-3kzuA:
15.74
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
ASP A 207
VAL A 175
ILE A  93
ILE A 205
 None
 0.93A 2idwA-3lunA:
undetectable		 2idwA-3lunA:
16.60
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.85A 2idwA-3mweA:
undetectable		 2idwA-3mweA:
12.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 1.02A 2idwA-3mwsA:
19.5		 2idwA-3mwsA:
78.79
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) 		10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.59A 2idwA-3mwsA:
19.5		 2idwA-3mwsA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 LEU A 162
ALA A 136
ASP A 122
VAL A 124
ILE A 143
 None
CA  A 406 (-4.5A)
CA  A 404 ( 2.4A)
None
None
 0.86A 2idwA-3p4gA:
undetectable		 2idwA-3p4gA:
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 255
GLY A 211
ILE A 372
ALA A 357
ILE A 245
 None
 1.06A 2idwA-3pfeA:
undetectable		 2idwA-3pfeA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.62A 2idwA-3slzA:
11.0		 2idwA-3slzA:
25.95
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.74A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
SO4  A 101 (-3.5A)
 0.60A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
SO4  A 101 (-3.5A)
 0.68A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
SO4  A 101 (-3.5A)
 0.78A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.76A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.92A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-3.3A)
 0.72A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
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 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  50
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-3.3A)
SO4  A 101 (-3.5A)
 0.74A 2idwA-3t3cA:
18.4		 2idwA-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.57A 2idwA-3ttpA:
19.3		 2idwA-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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.53A 2idwA-3u7sA:
19.7		 2idwA-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 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.52A 2idwA-3u7sA:
19.7		 2idwA-3u7sA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ALA A 378
GLY A 220
ILE A 221
ALA A 315
ILE A 288
 None
 1.02A 2idwA-3wdoA:
undetectable		 2idwA-3wdoA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 LEU A 377
VAL A 395
ILE A 365
ALA A 389
ILE A 391
 None
 0.77A 2idwA-3wn6A:
undetectable		 2idwA-3wn6A:
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 VAL A 395
ILE A 365
ILE A 336
ALA A 389
ILE A 391
 None
 0.87A 2idwA-3wn6A:
undetectable		 2idwA-3wn6A:
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.99A 2idwA-4ao7A:
undetectable		 2idwA-4ao7A:
20.60
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.
4bma UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Aspergillus
fumigatus) 		PF01704
(UDPGP) 		5 VAL A 480
GLY A 467
ILE A 468
ALA A 503
ILE A 505
 None
 0.95A 2idwA-4bmaA:
undetectable		 2idwA-4bmaA:
10.30
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.
4ess OR187

(synthetic
construct) 		PF01661
(Macro) 		5 ALA A  18
VAL A  62
GLY A 104
ALA A  96
ILE A  74
 None
 1.05A 2idwA-4essA:
undetectable		 2idwA-4essA:
20.37
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 LEU C 138
VAL C 177
ILE C 158
ILE C 121
ILE C 191
 None
 0.91A 2idwA-4f4oC:
undetectable		 2idwA-4f4oC:
19.67
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A 381
ALA A 358
ILE A 189
ALA A 386
ILE A 181
 None
 0.98A 2idwA-4ga6A:
3.0		 2idwA-4ga6A:
12.33
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 LEU A 375
ASP A 211
VAL A 209
GLY A 393
ILE A 349
 None
MG  A 501 ( 3.9A)
None
None
None
 0.90A 2idwA-4gniA:
undetectable		 2idwA-4gniA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jmj RNA/RNP
COMPLEX-1-INTERACTIN
G PHOSPHATASE

(Homo sapiens) 		PF00782
(DSPc) 		5 LEU A  85
ILE A 136
ILE A 100
ALA A 106
ILE A  64
 None
 0.96A 2idwA-4jmjA:
undetectable		 2idwA-4jmjA:
19.89
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 ALA A  78
GLY A 386
PRO A 247
ALA A 248
ILE A  75
 None
 0.92A 2idwA-4lz6A:
undetectable		 2idwA-4lz6A:
13.29
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 2idwA-4njvA:
20.5		 2idwA-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) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 2idwA-4njvA:
20.5		 2idwA-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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
VAL A   5
ILE A 326
ILE A  13
ILE A  29
 MG  A 401 (-4.5A)
None
None
NAD  A 400 (-4.3A)
None
 0.90A 2idwA-4p8rA:
undetectable		 2idwA-4p8rA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 ALA A  84
VAL A  59
GLY A 257
ALA A  57
ILE A  26
 None
 0.90A 2idwA-4pfrA:
undetectable		 2idwA-4pfrA:
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.
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)
 1.14A 2idwA-4q6gA:
undetectable		 2idwA-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.
4qlx NITROREDUCTASE
FAMILY PROTEIN

(Lactobacillus
plantarum) 		PF00881
(Nitroreductase) 		5 ALA A  87
GLY A 191
ILE A  91
ALA A 157
ILE A 194
 None
 1.12A 2idwA-4qlxA:
undetectable		 2idwA-4qlxA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 0.80A 2idwA-4r37A:
undetectable		 2idwA-4r37A:
23.20
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.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes) 		PF02457
(DisA_N) 		5 LEU A  58
ILE A  44
GLY A  47
ALA A  52
ILE A  81
 None
 0.92A 2idwA-4rv7A:
undetectable		 2idwA-4rv7A:
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ALA A 169
ASP A 175
VAL A 178
GLY A 198
ILE A 179
 None
 1.03A 2idwA-4u0gA:
undetectable		 2idwA-4u0gA:
23.23
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.
4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF00155
(Aminotran_1_2) 		5 LEU A 294
VAL A 285
GLY A 240
ALA A  46
ILE A 288
 None
 1.04A 2idwA-4w5kA:
undetectable		 2idwA-4w5kA:
13.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.57A 2idwA-4ydfA:
13.1		 2idwA-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.59A 2idwA-4ydfA:
13.1		 2idwA-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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 LEU A 147
ALA A  57
ILE A 160
PRO A 280
ILE A 284
 None
 0.97A 2idwA-4z11A:
undetectable		 2idwA-4z11A:
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 554
ALA A 681
GLY A 662
ALA A 550
ILE A 551
 None
 0.92A 2idwA-5cioA:
undetectable		 2idwA-5cioA:
9.45
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		5 ALA A1361
ILE A1385
GLY A1340
ILE A1341
ILE A1425
 None
 1.12A 2idwA-5csaA:
undetectable		 2idwA-5csaA:
7.60
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.
5cwe CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 ALA A  56
GLY A 340
ILE A 341
ALA A 283
ILE A 307
 None
None
None
HEM  A 403 ( 3.7A)
None
 0.96A 2idwA-5cweA:
undetectable		 2idwA-5cweA:
13.73
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 LEU A 488
VAL A 199
GLY A 447
ILE A 401
ILE A 486
 None
 0.96A 2idwA-5iheA:
undetectable		 2idwA-5iheA:
12.25
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		5 ALA A 333
GLY A 302
ILE A 301
ALA A 113
ILE A  53
 None
 1.04A 2idwA-5j32A:
undetectable		 2idwA-5j32A:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 708
ALA A 725
GLY A 695
ILE A 777
ILE A 761
 None
 0.87A 2idwA-5jcfA:
undetectable		 2idwA-5jcfA:
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 LEU A  25
ASP A 100
ILE A 127
ALA A 120
ILE A  72
 None
 1.08A 2idwA-5l6sA:
undetectable		 2idwA-5l6sA:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 LEU A 796
VAL A 827
ILE A 734
ALA A 754
ILE A 801
 None
 0.97A 2idwA-5m5pA:
undetectable		 2idwA-5m5pA:
4.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A  57
ALA A 432
GLY A 428
PRO A  41
ALA A  40
 None
 1.07A 2idwA-5neuA:
undetectable		 2idwA-5neuA:
10.18
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.
5t1p ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 LEU A 279
ALA A 274
ILE A 260
ALA A 130
ILE A 278
 None
 1.06A 2idwA-5t1pA:
undetectable		 2idwA-5t1pA:
15.36
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 2idwA-5t2zA:
19.8		 2idwA-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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 LEU A 464
ILE A 448
GLY A 407
ALA A 425
ILE A 460
 None
 0.73A 2idwA-5x4jA:
undetectable		 2idwA-5x4jA:
21.50
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 ALA A 513
ILE A 460
GLY A 434
ALA A 454
ILE A 100
 None
 1.03A 2idwA-6axeA:
undetectable		 2idwA-6axeA:
10.23
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.
6el1 YAXB

(Yersinia
enterocolitica) 		no annotation 5 LEU O  32
ALA O  47
ILE O 145
ALA O 283
ILE O 287
 None
 1.13A 2idwA-6el1O:
undetectable		 2idwA-6el1O:
20.59
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
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.64A 2idwA-6upjA:
17.6		 2idwA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
None
None
 0.75A 2idwA-6upjA:
17.6		 2idwA-6upjA:
49.49