SIMILAR PATTERNS OF AMINO ACIDS FOR 1H4O_A_BEZA1162

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.
1a04 NITRATE/NITRITE
RESPONSE REGULATOR
PROTEIN NARL

(Escherichia
coli) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 PRO A  63
GLY A  64
LEU A  58
THR A  70
GLY A  41
 None
 0.94A 1h4oA-1a04A:
0.9
1h4oB-1a04A:
2.1		 1h4oA-1a04A:
20.18
1h4oB-1a04A:
20.18
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.
1c7o CYSTALYSIN

(Treponema
denticola) 		PF00155
(Aminotran_1_2) 		5 THR A  68
PRO A  67
GLY A  66
THR A 275
GLY A 277
 None
 1.39A 1h4oA-1c7oA:
0.0
1h4oB-1c7oA:
undetectable		 1h4oA-1c7oA:
17.88
1h4oB-1c7oA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 THR B  94
GLY B 124
LEU B 158
THR B  99
GLY B 127
 TAR  B 900 (-4.2A)
None
None
None
None
 1.31A 1h4oA-1ccwB:
0.3
1h4oB-1ccwB:
0.3		 1h4oA-1ccwB:
18.20
1h4oB-1ccwB:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		5 GLY A  46
CYH A  47
LEU A 112
ARG A 127
THR A 147
 BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 1.41A 1h4oA-1h4oA:
36.8
1h4oB-1h4oA:
35.0		 1h4oA-1h4oA:
100.00
1h4oB-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.01A 1h4oA-1h4oA:
36.8
1h4oB-1h4oA:
35.0		 1h4oA-1h4oA:
100.00
1h4oB-1h4oA:
100.00
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 PRO A  57
LEU A 375
PHE A 376
THR A 311
GLY A 261
 None
 1.01A 1h4oA-1k1dA:
0.2
1h4oB-1k1dA:
1.0		 1h4oA-1k1dA:
16.81
1h4oB-1k1dA:
16.81
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.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		5 THR A2528
PRO A2529
GLY A2530
LEU A2575
GLY A2429
 None
 1.21A 1h4oA-1miuA:
undetectable
1h4oB-1miuA:
undetectable		 1h4oA-1miuA:
13.34
1h4oB-1miuA:
13.34
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.
1mje BREAST CANCER 2

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		5 THR A2528
PRO A2529
GLY A2530
LEU A2575
GLY A2429
 None
 1.10A 1h4oA-1mjeA:
undetectable
1h4oB-1mjeA:
undetectable		 1h4oA-1mjeA:
13.61
1h4oB-1mjeA:
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 269
PRO A 252
GLY A 251
LEU A 306
GLY A 276
 None
 1.22A 1h4oA-1mnsA:
undetectable
1h4oB-1mnsA:
0.8		 1h4oA-1mnsA:
18.82
1h4oB-1mnsA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		5 PRO A  42
CYH A  49
LEU A 118
ARG A 126
GLY A 147
 None
 1.30A 1h4oA-1nm3A:
24.1
1h4oB-1nm3A:
24.3		 1h4oA-1nm3A:
32.12
1h4oB-1nm3A:
32.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		7 PRO A  42
THR A  46
PRO A  47
CYH A  49
LEU A 118
PHE A 120
ARG A 126
 None
 0.81A 1h4oA-1nm3A:
24.1
1h4oB-1nm3A:
24.3		 1h4oA-1nm3A:
32.12
1h4oB-1nm3A:
32.12
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 PRO A 564
PRO A 568
GLY A 567
LEU A 558
GLY A 552
 None
 1.33A 1h4oA-1no7A:
undetectable
1h4oB-1no7A:
undetectable		 1h4oA-1no7A:
15.73
1h4oB-1no7A:
15.73
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.
1psq PROBABLE THIOL
PEROXIDASE

(Streptococcus
pneumoniae) 		PF08534
(Redoxin) 		5 PRO A  51
THR A  55
CYH A  58
LEU A   5
ARG A 127
 None
 1.05A 1h4oA-1psqA:
19.3
1h4oB-1psqA:
19.5		 1h4oA-1psqA:
25.70
1h4oB-1psqA:
25.70
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.
1q33 ADP-RIBOSE
PYROPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		5 PRO A 213
GLY A 214
LEU A 253
PHE A 257
GLY A 232
 None
BGC  A 400 (-4.1A)
None
None
None
 1.32A 1h4oA-1q33A:
undetectable
1h4oB-1q33A:
undetectable		 1h4oA-1q33A:
21.43
1h4oB-1q33A:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 PRO A  44
THR A  48
PRO A  49
CYH A  51
ARG A 129
 None
SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
None
 0.16A 1h4oA-1tp9A:
26.7
1h4oB-1tp9A:
26.6		 1h4oA-1tp9A:
43.45
1h4oB-1tp9A:
43.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		5 THR A  48
PRO A  49
CYH A  51
LEU A 118
ARG A 129
 SO4  A1248 ( 4.6A)
SO4  A1248 (-3.6A)
None
None
None
 0.60A 1h4oA-1tp9A:
26.7
1h4oB-1tp9A:
26.6		 1h4oA-1tp9A:
43.45
1h4oB-1tp9A:
43.45
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 THR A 248
GLY A 292
LEU A  87
PHE A  99
GLY A  30
 None
K  A 404 (-4.4A)
AIS  A 402 (-4.6A)
AIS  A 402 ( 4.0A)
AIS  A 402 ( 4.2A)
 1.12A 1h4oA-1tz6A:
undetectable
1h4oB-1tz6A:
undetectable		 1h4oA-1tz6A:
21.63
1h4oB-1tz6A:
21.63
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 THR A 160
PRO A 159
GLY A 158
LEU A 318
ARG A 144
 None
None
None
UPG  A 704 (-3.9A)
None
 1.27A 1h4oA-1z45A:
undetectable
1h4oB-1z45A:
undetectable		 1h4oA-1z45A:
13.03
1h4oB-1z45A:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		5 PRO A 100
THR A 104
PRO A 105
GLY A 106
ARG A 175
 None
 0.62A 1h4oA-2a4vA:
20.2
1h4oB-2a4vA:
20.3		 1h4oA-2a4vA:
26.47
1h4oB-2a4vA:
26.47
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.
2c46 MRNA CAPPING ENZYME

(Homo sapiens) 		PF00782
(DSPc) 		5 GLY A 129
LEU A  50
PHE A  45
ARG A 160
GLY A 123
 None
 1.24A 1h4oA-2c46A:
undetectable
1h4oB-2c46A:
undetectable		 1h4oA-2c46A:
21.14
1h4oB-2c46A:
21.14
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 PRO A  74
GLY A  75
LEU A  36
THR A  43
GLY A  40
 None
 1.44A 1h4oA-2cbnA:
undetectable
1h4oB-2cbnA:
undetectable		 1h4oA-2cbnA:
19.67
1h4oB-2cbnA:
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 PRO A  52
THR A  61
GLY A  59
PHE A 757
GLY A 398
 None
 1.46A 1h4oA-2eaeA:
undetectable
1h4oB-2eaeA:
undetectable		 1h4oA-2eaeA:
11.35
1h4oB-2eaeA:
11.35
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  59
PRO A  72
GLY A  73
PHE A 175
GLY A  82
 None
 1.15A 1h4oA-2gouA:
undetectable
1h4oB-2gouA:
undetectable		 1h4oA-2gouA:
19.40
1h4oB-2gouA:
19.40
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 THR A 135
GLY A 115
LEU A 413
PHE A 417
GLY A 107
 THR  A 135 ( 0.8A)
GLY  A 115 ( 0.0A)
LEU  A 413 ( 0.6A)
PHE  A 417 ( 1.3A)
GLY  A 107 ( 0.0A)
 1.40A 1h4oA-2ogsA:
undetectable
1h4oB-2ogsA:
undetectable		 1h4oA-2ogsA:
15.29
1h4oB-2ogsA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		5 THR A 199
GLY A 117
CYH A 116
THR A 122
GLY A 349
 None
PO4  A 503 (-3.4A)
None
None
None
 1.12A 1h4oA-2p4sA:
undetectable
1h4oB-2p4sA:
undetectable		 1h4oA-2p4sA:
18.36
1h4oB-2p4sA:
18.36
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 PRO G 506
GLY G 505
LEU G 303
THR G 279
GLY G 276
 None
 1.17A 1h4oA-2uv8G:
undetectable
1h4oB-2uv8G:
undetectable		 1h4oA-2uv8G:
6.39
1h4oB-2uv8G:
6.39
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 THR A1122
PRO A1123
GLY A1512
PHE A1517
THR A1232
 None
 1.36A 1h4oA-2vz9A:
undetectable
1h4oB-2vz9A:
undetectable		 1h4oA-2vz9A:
6.45
1h4oB-2vz9A:
6.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 THR A  71
PRO A  72
GLY A  73
LEU A 141
ARG A 152
 None
 0.56A 1h4oA-2wfcA:
31.7
1h4oB-2wfcA:
31.5		 1h4oA-2wfcA:
64.60
1h4oB-2wfcA:
64.60
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
CYH A  61
LEU A 126
ARG A 132
 None
 0.77A 1h4oA-2yzhA:
19.1
1h4oB-2yzhA:
19.1		 1h4oA-2yzhA:
24.19
1h4oB-2yzhA:
24.19
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
PRO A  59
CYH A  61
ARG A 132
 None
 0.40A 1h4oA-2yzhA:
19.1
1h4oB-2yzhA:
19.1		 1h4oA-2yzhA:
24.19
1h4oB-2yzhA:
24.19
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 THR A  58
PRO A  59
CYH A  61
ARG A 132
THR A 153
 None
 0.74A 1h4oA-2yzhA:
19.1
1h4oB-2yzhA:
19.1		 1h4oA-2yzhA:
24.19
1h4oB-2yzhA:
24.19
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.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  43
THR A  47
PRO A  48
CYH A  50
ARG A 126
 None
 0.50A 1h4oA-3a5wA:
16.3
1h4oB-3a5wA:
16.4		 1h4oA-3a5wA:
23.65
1h4oB-3a5wA:
23.65
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.
3bt3 GLYOXALASE-RELATED
ENZYME, ARAC TYPE

(Lachnoclostridium
phytofermentans) 		no annotation 5 THR A 252
GLY A 255
CYH A 256
PHE A 158
THR A 148
 None
 1.08A 1h4oA-3bt3A:
undetectable
1h4oB-3bt3A:
undetectable		 1h4oA-3bt3A:
21.51
1h4oB-3bt3A:
21.51
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.
3cg4 RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN (CHEY-LIKE)

(Methanospirillum
hungatei) 		PF00072
(Response_reg) 		5 PRO A  60
GLY A  61
LEU A  55
THR A  67
GLY A  38
 None
 1.13A 1h4oA-3cg4A:
undetectable
1h4oB-3cg4A:
undetectable		 1h4oA-3cg4A:
22.78
1h4oB-3cg4A:
22.78
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 PRO A 351
GLY A  54
PHE A 329
THR A 354
GLY A  70
 FAD  A 500 (-4.5A)
None
None
FAD  A 500 (-3.8A)
None
 1.44A 1h4oA-3dmeA:
undetectable
1h4oB-3dmeA:
undetectable		 1h4oA-3dmeA:
19.89
1h4oB-3dmeA:
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.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 PRO A  38
THR A  42
PRO A  43
GLY A  44
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.7A)
 0.38A 1h4oA-3drnA:
19.4
1h4oB-3drnA:
19.7		 1h4oA-3drnA:
25.15
1h4oB-3drnA:
25.15
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 GLY A 315
LEU A 117
PHE A 113
THR A 320
GLY A  18
 FAD  A 600 ( 3.2A)
None
None
None
FAD  A 600 (-3.4A)
 1.36A 1h4oA-3e1tA:
undetectable
1h4oB-3e1tA:
undetectable		 1h4oA-3e1tA:
16.74
1h4oB-3e1tA:
16.74
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.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 THR A  73
GLY A 100
LEU A 108
PHE A 110
GLY A 103
 None
 1.47A 1h4oA-3f4kA:
undetectable
1h4oB-3f4kA:
undetectable		 1h4oA-3f4kA:
21.12
1h4oB-3f4kA:
21.12
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 PRO A 229
THR A 270
GLY A 266
CYH A 265
THR A 276
 None
 1.35A 1h4oA-3hmuA:
undetectable
1h4oB-3hmuA:
undetectable		 1h4oA-3hmuA:
15.50
1h4oB-3hmuA:
15.50
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri;
Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF02738
(Ald_Xan_dh_C2) 		5 THR B  90
GLY B 286
LEU A   8
THR B 213
GLY B 283
 MCN  B 921 (-3.5A)
MCN  B 921 (-3.2A)
None
None
None
 1.30A 1h4oA-3hrdB:
undetectable
1h4oB-3hrdB:
undetectable		 1h4oA-3hrdB:
22.80
1h4oB-3hrdB:
22.80
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.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		5 GLY A 239
CYH A 219
LEU A 129
THR A 101
GLY A 105
 None
LLP  A 243 ( 3.5A)
None
LLP  A 243 ( 3.3A)
None
 1.26A 1h4oA-3hvyA:
undetectable
1h4oB-3hvyA:
undetectable		 1h4oA-3hvyA:
17.65
1h4oB-3hvyA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		5 THR A 215
GLY A 310
LEU A 281
PHE A 256
THR A 302
 None
None
GOL  A 512 (-4.7A)
None
GOL  A 512 (-4.7A)
 1.38A 1h4oA-3ivrA:
undetectable
1h4oB-3ivrA:
undetectable		 1h4oA-3ivrA:
18.08
1h4oB-3ivrA:
18.08
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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xylella
fastidiosa) 		PF00578
(AhpC-TSA) 		5 PRO A  40
THR A  44
PRO A  45
GLY A  46
ARG A 122
 None
 0.44A 1h4oA-3ixrA:
19.0
1h4oB-3ixrA:
19.0		 1h4oA-3ixrA:
20.83
1h4oB-3ixrA:
20.83
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.
3jxa CONTACTIN 4

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 PRO A 208
PRO A 146
GLY A 145
LEU A 206
ARG A 129
 None
 1.47A 1h4oA-3jxaA:
undetectable
1h4oB-3jxaA:
undetectable		 1h4oA-3jxaA:
20.00
1h4oB-3jxaA:
20.00
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.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		5 THR A  73
GLY A 100
LEU A 108
PHE A 110
GLY A 103
 None
 1.44A 1h4oA-3kkzA:
undetectable
1h4oB-3kkzA:
undetectable		 1h4oA-3kkzA:
18.70
1h4oB-3kkzA:
18.70
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 PRO A 121
GLY A 122
LEU A 346
PHE A 345
GLY A 242
 None
 1.27A 1h4oA-3oepA:
undetectable
1h4oB-3oepA:
undetectable		 1h4oA-3oepA:
17.38
1h4oB-3oepA:
17.38
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 PRO A 186
PRO A 121
GLY A 122
LEU A 346
PHE A 345
 None
 1.31A 1h4oA-3oepA:
undetectable
1h4oB-3oepA:
undetectable		 1h4oA-3oepA:
17.38
1h4oB-3oepA:
17.38
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.
3p7x PROBABLE THIOL
PEROXIDASE

(Staphylococcus
aureus) 		PF08534
(Redoxin) 		5 PRO A  53
THR A  57
CYH A  60
LEU A 123
ARG A 128
 None
 0.92A 1h4oA-3p7xA:
18.7
1h4oB-3p7xA:
18.8		 1h4oA-3p7xA:
26.09
1h4oB-3p7xA:
26.09
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		5 PRO A 157
GLY A 158
PHE A 178
ARG A 207
GLY A 229
 None
 1.11A 1h4oA-3qxfA:
undetectable
1h4oB-3qxfA:
undetectable		 1h4oA-3qxfA:
19.25
1h4oB-3qxfA:
19.25
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 THR A 257
PRO A 249
GLY A 248
THR A 233
GLY A 229
 None
 1.28A 1h4oA-3rd5A:
undetectable
1h4oB-3rd5A:
2.1		 1h4oA-3rd5A:
22.61
1h4oB-3rd5A:
22.61
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 PRO A  57
LEU A 375
PHE A 376
THR A 311
GLY A 261
 None
 0.97A 1h4oA-3sfwA:
undetectable
1h4oB-3sfwA:
undetectable		 1h4oA-3sfwA:
18.10
1h4oB-3sfwA:
18.10
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 THR A 208
GLY A 206
LEU A 263
PHE A 276
GLY A 180
 None
 1.48A 1h4oA-3syjA:
undetectable
1h4oB-3syjA:
undetectable		 1h4oA-3syjA:
11.87
1h4oB-3syjA:
11.87
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		5 THR A  73
GLY A 100
LEU A 108
PHE A 110
GLY A 103
 None
 1.36A 1h4oA-3t7sA:
undetectable
1h4oB-3t7sA:
undetectable		 1h4oA-3t7sA:
20.80
1h4oB-3t7sA:
20.80
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.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  40
THR A  44
PRO A  45
CYH A  47
ARG A 129
 GOL  A 223 (-4.3A)
GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-4.4A)
GOL  A 223 (-4.1A)
 0.54A 1h4oA-3tb2A:
17.6
1h4oB-3tb2A:
17.7		 1h4oA-3tb2A:
20.69
1h4oB-3tb2A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 THR A  42
PRO A  43
GLY A  44
THR A  49
GLY A 220
 None
 0.97A 1h4oA-3ukfA:
undetectable
1h4oB-3ukfA:
undetectable		 1h4oA-3ukfA:
15.12
1h4oB-3ukfA:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uma HYPOTHETICAL
PEROXIREDOXIN
PROTEIN

(Sinorhizobium
meliloti) 		PF08534
(Redoxin) 		5 PRO A  42
THR A  46
PRO A  47
CYH A  49
ARG A 127
 None
 0.15A 1h4oA-3umaA:
27.5
1h4oB-3umaA:
27.6		 1h4oA-3umaA:
37.10
1h4oB-3umaA:
37.10
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 THR A 300
CYH A 295
LEU A 264
PHE A 278
GLY A  52
 None
 1.29A 1h4oA-3uqeA:
undetectable
1h4oB-3uqeA:
undetectable		 1h4oA-3uqeA:
21.19
1h4oB-3uqeA:
21.19
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 PRO A 288
GLY A  11
LEU A 258
PHE A 285
GLY A 222
 None
 1.29A 1h4oA-3wjsA:
undetectable
1h4oB-3wjsA:
undetectable		 1h4oA-3wjsA:
22.22
1h4oB-3wjsA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
CYH A  61
LEU A 127
ARG A 133
 None
 0.89A 1h4oA-3zreA:
18.2
1h4oB-3zreA:
18.3		 1h4oA-3zreA:
23.58
1h4oB-3zreA:
23.58
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 PRO A  72
GLY A  73
LEU A  34
THR A  41
GLY A  38
 None
 1.31A 1h4oA-3zwfA:
undetectable
1h4oB-3zwfA:
undetectable		 1h4oA-3zwfA:
21.37
1h4oB-3zwfA:
21.37
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.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		5 GLY A  81
LEU A  72
PHE A  61
THR A  78
GLY A  24
 None
 0.92A 1h4oA-4ak1A:
undetectable
1h4oB-4ak1A:
undetectable		 1h4oA-4ak1A:
12.70
1h4oB-4ak1A:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PRO A 101
THR A 109
GLY A 107
CYH A 108
LEU A  74
 None
 1.41A 1h4oA-4c7vA:
undetectable
1h4oB-4c7vA:
undetectable		 1h4oA-4c7vA:
14.01
1h4oB-4c7vA:
14.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 PRO A  48
THR A  52
PRO A  53
CYH A  55
ARG A 133
 None
 0.18A 1h4oA-4f82A:
27.5
1h4oB-4f82A:
27.7		 1h4oA-4f82A:
42.05
1h4oB-4f82A:
42.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		5 THR A  52
PRO A  53
CYH A  55
LEU A 122
ARG A 133
 None
 0.67A 1h4oA-4f82A:
27.5
1h4oB-4f82A:
27.7		 1h4oA-4f82A:
42.05
1h4oB-4f82A:
42.05
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		5 THR A 143
PRO A 144
LEU A 166
PHE A 161
GLY A 208
 None
 1.49A 1h4oA-4g76A:
undetectable
1h4oB-4g76A:
undetectable		 1h4oA-4g76A:
17.75
1h4oB-4g76A:
17.75
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  56
PRO A  69
GLY A  70
PHE A 172
GLY A  79
 None
 1.23A 1h4oA-4jipA:
undetectable
1h4oB-4jipA:
undetectable		 1h4oA-4jipA:
19.79
1h4oB-4jipA:
19.79
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 PRO A  57
LEU A 375
PHE A 376
THR A 311
GLY A 261
 PRO  A  57 ( 1.1A)
LEU  A 375 ( 0.6A)
PHE  A 376 ( 1.3A)
THR  A 311 ( 0.8A)
GLY  A 261 ( 0.0A)
 0.92A 1h4oA-4kqnA:
undetectable
1h4oB-4kqnA:
undetectable		 1h4oA-4kqnA:
17.39
1h4oB-4kqnA:
17.39
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.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 THR A 153
PRO A 152
GLY A 151
LEU A 320
ARG A 137
 None
 1.30A 1h4oA-4lisA:
undetectable
1h4oB-4lisA:
undetectable		 1h4oA-4lisA:
19.73
1h4oB-4lisA:
19.73
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PRO A 131
GLY A 130
CYH A 246
LEU A 112
GLY A 203
 None
 1.31A 1h4oA-4lnfA:
undetectable
1h4oB-4lnfA:
undetectable		 1h4oA-4lnfA:
16.03
1h4oB-4lnfA:
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 PRO A 209
THR A 290
PRO A 289
PHE A 284
GLY A 316
 None
 1.32A 1h4oA-4oe5A:
undetectable
1h4oB-4oe5A:
undetectable		 1h4oA-4oe5A:
16.86
1h4oB-4oe5A:
16.86
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PRO A3312
GLY A3337
CYH A3339
LEU A3329
PHE A3268
 None
 1.45A 1h4oA-4tktA:
undetectable
1h4oB-4tktA:
undetectable		 1h4oA-4tktA:
14.92
1h4oB-4tktA:
14.92
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 THR L 293
GLY L 291
LEU L 392
PHE L 296
GLY L 425
 None
None
MPD  L 604 ( 4.4A)
None
None
 1.48A 1h4oA-4u9iL:
undetectable
1h4oB-4u9iL:
undetectable		 1h4oA-4u9iL:
17.50
1h4oB-4u9iL:
17.50
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 THR S 262
PRO S 263
LEU L  65
PHE L  76
GLY L  67
 None
 1.40A 1h4oA-4u9iS:
undetectable
1h4oB-4u9iS:
undetectable		 1h4oA-4u9iS:
18.73
1h4oB-4u9iS:
18.73
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.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 THR A 380
PRO A 379
GLY A 396
LEU A 353
THR A 372
 None
 1.33A 1h4oA-4uphA:
undetectable
1h4oB-4uphA:
undetectable		 1h4oA-4uphA:
14.50
1h4oB-4uphA:
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 THR A 239
PRO A 238
ARG A 410
THR A 347
GLY A 368
 None
 1.32A 1h4oA-4wctA:
undetectable
1h4oB-4wctA:
undetectable		 1h4oA-4wctA:
15.73
1h4oB-4wctA:
15.73
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.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 PRO A 525
PRO A 364
GLY A 365
PHE A 538
THR A 521
 None
None
ONL  A 601 (-3.3A)
None
None
 1.44A 1h4oA-4zdkA:
undetectable
1h4oB-4zdkA:
undetectable		 1h4oA-4zdkA:
14.12
1h4oB-4zdkA:
14.12
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 THR A  60
PRO A  73
GLY A  74
PHE A 174
GLY A  83
 None
 1.25A 1h4oA-5dxxA:
undetectable
1h4oB-5dxxA:
undetectable		 1h4oA-5dxxA:
18.85
1h4oB-5dxxA:
18.85
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.
5enu ALKYL HYDROPEROXIDE
REDUCTASE/ THIOL
SPECIFIC
ANTIOXIDANT/ MAL
ALLERGEN

(Burkholderia
ambifaria) 		PF00578
(AhpC-TSA) 		6 PRO A  37
THR A  41
PRO A  42
GLY A  43
CYH A  44
ARG A 119
 None
 0.33A 1h4oA-5enuA:
19.0
1h4oB-5enuA:
19.1		 1h4oA-5enuA:
25.41
1h4oB-5enuA:
25.41
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.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		6 PRO A  45
THR A  49
PRO A  50
GLY A  51
CYH A  52
ARG A 124
 None
 0.90A 1h4oA-5epfA:
20.9
1h4oB-5epfA:
21.1		 1h4oA-5epfA:
28.65
1h4oB-5epfA:
28.65
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.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 THR A 289
PRO A 290
GLY A 291
THR A 294
GLY A 339
 None
 1.17A 1h4oA-5facA:
undetectable
1h4oB-5facA:
undetectable		 1h4oA-5facA:
17.19
1h4oB-5facA:
17.19
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.
5ipg BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Xanthomonas
campestris) 		PF00578
(AhpC-TSA) 		6 PRO A  41
THR A  45
PRO A  46
GLY A  47
CYH A  48
ARG A 123
 None
 0.68A 1h4oA-5ipgA:
18.1
1h4oB-5ipgA:
18.3		 1h4oA-5ipgA:
20.24
1h4oB-5ipgA:
20.24
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 PRO A 271
THR A 217
PRO A 218
GLY A 219
ARG A 224
 None
 1.48A 1h4oA-5jtaA:
undetectable
1h4oB-5jtaA:
undetectable		 1h4oA-5jtaA:
13.65
1h4oB-5jtaA:
13.65
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  67
PRO A  80
GLY A  81
PHE A 176
GLY A  90
 None
 1.27A 1h4oA-5k1uA:
undetectable
1h4oB-5k1uA:
undetectable		 1h4oA-5k1uA:
18.11
1h4oB-5k1uA:
18.11
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.
5mw5 PROTEIN JAGGED-2

(Homo sapiens) 		PF01414
(DSL)
PF07657
(MNNL) 		5 THR A  95
PRO A  96
LEU A  37
THR A  69
GLY A  99
 None
 1.21A 1h4oA-5mw5A:
undetectable
1h4oB-5mw5A:
undetectable		 1h4oA-5mw5A:
19.57
1h4oB-5mw5A:
19.57
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.
5mw7 PROTEIN JAGGED-2

(Homo sapiens) 		PF00008
(EGF)
PF01414
(DSL)
PF07657
(MNNL) 		5 THR A  95
PRO A  96
LEU A  37
THR A  69
GLY A  99
 None
 1.28A 1h4oA-5mw7A:
undetectable
1h4oB-5mw7A:
undetectable		 1h4oA-5mw7A:
18.15
1h4oB-5mw7A:
18.15
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 5 PRO A 382
THR A 389
PRO A 390
GLY A 391
GLY A 339
 None
None
GOL  A 609 ( 4.8A)
GOL  A 609 (-4.0A)
None
 0.92A 1h4oA-5o5dA:
undetectable
1h4oB-5o5dA:
undetectable		 1h4oA-5o5dA:
undetectable
1h4oB-5o5dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o60 50S RIBOSOMAL
PROTEIN L10

(Mycolicibacterium
smegmatis) 		PF00466
(Ribosomal_L10) 		5 THR I  77
LEU I  69
PHE I  73
THR I  23
GLY I 108
 None
 1.37A 1h4oA-5o60I:
undetectable
1h4oB-5o60I:
undetectable		 1h4oA-5o60I:
25.26
1h4oB-5o60I:
25.26
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 THR A 136
PRO A 137
GLY A 138
LEU A 158
GLY A 160
 None
 1.33A 1h4oA-5opjA:
undetectable
1h4oB-5opjA:
undetectable		 1h4oA-5opjA:
undetectable
1h4oB-5opjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 5 THR A 147
PRO A 149
GLY A 150
LEU A 141
GLY A 115
 PHB  A 602 (-4.5A)
PHB  A 602 (-4.7A)
None
GOL  A 603 (-4.5A)
None
 1.11A 1h4oA-5w1eA:
undetectable
1h4oB-5w1eA:
undetectable		 1h4oA-5w1eA:
undetectable
1h4oB-5w1eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 THR A  60
LEU A  90
PHE A  89
THR A  81
GLY A  83
 None
 1.19A 1h4oA-5w57A:
undetectable
1h4oB-5w57A:
undetectable		 1h4oA-5w57A:
20.83
1h4oB-5w57A:
20.83
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.
6dg4 ULP1-LIKE SUMO
PROTEASE

(Chaetomium
thermophilum) 		no annotation 5 GLY A 243
LEU A  44
PHE A  49
THR A  38
GLY A  67
 None
 1.38A 1h4oA-6dg4A:
undetectable
1h4oB-6dg4A:
undetectable		 1h4oA-6dg4A:
undetectable
1h4oB-6dg4A:
undetectable