SIMILAR PATTERNS OF AMINO ACIDS FOR 5KM9_B_ADNB201

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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 ILE A 194
LEU A 212
VAL A 233
ALA A 232
HIS A 270
 None
None
None
None
RNS  A1462 ( 3.5A)
 1.03A 5km9B-1de6A:
undetectable		 5km9B-1de6A:
15.02
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 ILE A 194
LEU A 212
VAL A 233
ALA A 232
HIS A 294
 None
None
None
None
ZN  A 450 (-3.1A)
 1.12A 5km9B-1de6A:
undetectable		 5km9B-1de6A:
15.02
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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		6 PHE A 301
ILE A 306
LEU A 333
VAL A 388
HIS A 392
HIS A 394
 None
None
None
None
None
NA  A 459 (-3.9A)
 0.50A 5km9B-1emsA:
11.7		 5km9B-1emsA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fhi FRAGILE HISTIDINE
TRIAD PROTEIN

(Homo sapiens) 		PF01230
(HIT) 		6 PHE A   5
ILE A  10
LEU A  37
VAL A  92
HIS A  96
HIS A  98
 IB2  A 301 (-4.6A)
IB2  A 301 (-4.8A)
IB2  A 301 (-4.6A)
IB2  A 301 (-4.5A)
IB2  A 301 ( 3.9A)
IB2  A 301 ( 3.2A)
 0.47A 5km9B-1fhiA:
11.1		 5km9B-1fhiA:
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.
1fy2 ASPARTYL DIPEPTIDASE

(Salmonella
enterica) 		PF03575
(Peptidase_S51) 		5 ILE A 196
ILE A 154
LEU A 190
SER A 199
VAL A 198
 None
 1.22A 5km9B-1fy2A:
undetectable		 5km9B-1fy2A:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		8 ILE A  18
PHE A  19
ILE A  22
ASP A  43
LEU A  53
VAL A 108
HIS A 112
HIS A 114
 None
 0.36A 5km9B-1kpbA:
22.1		 5km9B-1kpbA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		5 ILE A  22
PHE A  19
ILE A  55
LEU A  39
ASP A  43
 None
 1.08A 5km9B-1kpbA:
22.1		 5km9B-1kpbA:
55.00
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.
1mjh PROTEIN (ATP-BINDING
DOMAIN OF PROTEIN
MJ0577)

(Methanocaldococcus
jannaschii) 		PF00582
(Usp) 		5 ILE A 112
ILE A 124
LEU A   9
ALA A  18
VAL A 142
 None
None
None
ATP  A2001 ( 3.7A)
ATP  A2001 (-3.5A)
 1.21A 5km9B-1mjhA:
undetectable		 5km9B-1mjhA:
21.02
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.
1n91 ORF, HYPOTHETICAL
PROTEIN

(Escherichia
coli) 		PF02594
(DUF167) 		5 ILE A  91
PHE A  63
ILE A  85
VAL A   8
ALA A   7
 None
 1.21A 5km9B-1n91A:
undetectable		 5km9B-1n91A:
25.74
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.
1p5s RAS
GTPASE-ACTIVATING-LI
KE PROTEIN RNG2

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 ILE A 114
ILE A 111
LEU A 116
ALA A 153
LEU A  78
 None
HG  A 191 ( 4.2A)
None
None
None
 1.25A 5km9B-1p5sA:
undetectable		 5km9B-1p5sA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 ILE B 421
ILE B 422
LEU B 425
ALA B 450
HIS B 418
 None
 1.14A 5km9B-1pjmB:
undetectable		 5km9B-1pjmB:
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.
1t0p INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA) 		5 ILE A 212
PHE A 277
ILE A 236
LEU A 135
SER A 245
 None
 1.24A 5km9B-1t0pA:
undetectable		 5km9B-1t0pA:
18.89
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.
1xfr PHEROMONE-BINDING
PROTEIN

(Bombyx mori) 		PF01395
(PBP_GOBP) 		5 PHE A 118
ILE A 122
LEU A 125
ALA A  77
VAL A  94
 None
 1.06A 5km9B-1xfrA:
undetectable		 5km9B-1xfrA:
20.38
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		7 PHE A   9
ILE A  12
ASP A  33
LEU A  43
VAL A  98
HIS A 102
HIS A 104
 None
 0.38A 5km9B-1y23A:
15.4		 5km9B-1y23A:
24.07
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.
2b34 MAR1 RIBONUCLEASE

(Caenorhabditis
elegans) 		PF00857
(Isochorismatase) 		5 ILE A 165
ILE A 184
LEU A 183
ASP A 134
ALA A 135
 None
 1.21A 5km9B-2b34A:
undetectable		 5km9B-2b34A:
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.
2ec4 FAS-ASSOCIATED
FACTOR 1

(Homo sapiens) 		no annotation 5 ILE A  60
ILE A 137
VAL A 119
ALA A 120
HIS A 114
 None
 1.21A 5km9B-2ec4A:
undetectable		 5km9B-2ec4A:
20.11
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.
2eo4 150AA LONG
HYPOTHETICAL
HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF01230
(HIT) 		7 PHE A   3
ILE A   6
LEU A  11
ASP A  27
LEU A  37
HIS A  96
HIS A  98
 None
None
None
None
None
PO4  A 202 ( 3.7A)
PO4  A 202 ( 4.0A)
 0.76A 5km9B-2eo4A:
13.6		 5km9B-2eo4A:
22.28
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 ILE A  74
ILE A  15
LEU A  11
ALA A  51
LEU A  58
 None
 1.15A 5km9B-2f2aA:
undetectable		 5km9B-2f2aA:
15.30
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.
2i2w PHOSPHOHEPTOSE
ISOMERASE

(Escherichia
coli) 		PF13580
(SIS_2) 		5 ILE A  82
ILE A  80
LEU A  48
SER A  86
VAL A  85
 None
 1.12A 5km9B-2i2wA:
undetectable		 5km9B-2i2wA:
21.33
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.
2pof CDP-DIACYLGLYCEROL
PYROPHOSPHATASE

(Escherichia
coli) 		PF02611
(CDH) 		5 ILE A  37
ASP A  69
LEU A  77
HIS A 140
HIS A 142
 None
 0.52A 5km9B-2pofA:
8.5		 5km9B-2pofA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wla DPS-LIKE PEROXIDE
RESISTANCE PROTEIN

(Streptococcus
pyogenes) 		PF00210
(Ferritin) 		5 LEU A  83
ASP A  38
LEU A 131
SER A  12
VAL A  13
 None
 1.05A 5km9B-2wlaA:
undetectable		 5km9B-2wlaA:
20.11
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.
2ww9 PROTEIN TRANSPORT
PROTEIN SSS1
SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF00584
(SecE)
PF10559
(Plug_translocon) 		5 ILE A 258
LEU A 254
VAL B  54
ALA B  53
SER A 265
 None
 0.93A 5km9B-2ww9A:
undetectable		 5km9B-2ww9A:
13.52
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.
2yxd PROBABLE
COBALT-PRECORRIN-6Y
C(15)-METHYLTRANSFER
ASE
[DECARBOXYLATING]

(Methanocaldococcus
jannaschii) 		PF13847
(Methyltransf_31) 		5 ILE A 127
LEU A 119
ASP A  41
VAL A  42
SER A  27
 None
 0.98A 5km9B-2yxdA:
undetectable		 5km9B-2yxdA:
21.31
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.
3bl9 SCAVENGER
MRNA-DECAPPING
ENZYME DCPS

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		5 ILE A 179
ASP A 205
SER A 272
HIS A 277
HIS A 279
 None
DD2  A 901 (-3.2A)
DD2  A 901 ( 3.7A)
None
None
 0.70A 5km9B-3bl9A:
10.6		 5km9B-3bl9A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpj GTP-BINDING PROTEIN
YPT31/YPT8

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 ILE B  16
ILE B 174
LEU B 170
ASP B 116
ALA B 115
 None
 1.00A 5km9B-3cpjB:
undetectable		 5km9B-3cpjB:
22.58
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.
3d5t MALATE DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 221
PHE A 220
ALA A 183
LEU A 168
VAL A 224
 None
 1.17A 5km9B-3d5tA:
undetectable		 5km9B-3d5tA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enh UNCHARACTERIZED
PROTEIN MJ0187

(Methanocaldococcus
jannaschii) 		PF08617
(CGI-121) 		5 ILE C 122
PHE C 126
ILE C 125
LEU C 121
VAL C 138
 None
 0.93A 5km9B-3enhC:
undetectable		 5km9B-3enhC:
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.
3f4m TUMOR NECROSIS
FACTOR,
ALPHA-INDUCED
PROTEIN 8-LIKE
PROTEIN 2

(Homo sapiens) 		PF05527
(DUF758) 		5 ILE A 171
LEU A 175
LEU A 156
SER A  46
VAL A  45
 None
 1.13A 5km9B-3f4mA:
undetectable		 5km9B-3f4mA:
20.50
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.
3gag PUTATIVE NADH
DEHYDROGENASE, NADPH
NITROREDUCTASE

(Streptococcus
mutans) 		PF00881
(Nitroreductase) 		5 ILE A 164
PHE A 161
LEU A 168
VAL A  78
VAL A 159
 None
 1.26A 5km9B-3gagA:
3.0		 5km9B-3gagA:
22.96
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 VAL A 226
ALA A 223
SER A 287
HIS A 248
HIS A 218
 None
None
FMT  A 483 ( 2.6A)
ZN  A 484 (-3.3A)
ZN  A 484 ( 3.0A)
 1.25A 5km9B-3gipA:
undetectable		 5km9B-3gipA:
15.43
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.
3imi HIT FAMILY PROTEIN

(Bacillus
anthracis) 		PF01230
(HIT) 		7 ILE A   9
PHE A  10
ILE A  13
ASP A  34
LEU A  44
HIS A 103
HIS A 105
 None
None
None
None
None
SO4  A 145 (-3.8A)
SO4  A 145 (-4.1A)
 0.55A 5km9B-3imiA:
16.1		 5km9B-3imiA:
26.67
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.
3imi HIT FAMILY PROTEIN

(Bacillus
anthracis) 		PF01230
(HIT) 		5 ILE A  13
PHE A  10
ILE A  46
LEU A  30
ASP A  34
 None
 1.03A 5km9B-3imiA:
16.1		 5km9B-3imiA:
26.67
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.
3imi HIT FAMILY PROTEIN

(Bacillus
anthracis) 		PF01230
(HIT) 		7 PHE A  10
ILE A  13
ASP A  34
LEU A  44
VAL A  99
HIS A 103
HIS A 105
 None
None
None
None
SO4  A 145 (-4.4A)
SO4  A 145 (-3.8A)
SO4  A 145 (-4.1A)
 0.42A 5km9B-3imiA:
16.1		 5km9B-3imiA:
26.67
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		5 ILE A 166
PHE A 209
ALA A 375
LEU A 203
VAL A 164
 None
 0.92A 5km9B-3k2kA:
undetectable		 5km9B-3k2kA:
21.41
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.
3ksv UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF01230
(HIT) 		5 ILE A   6
PHE A   7
ILE A  10
ASP A  31
LEU A  41
 None
 0.61A 5km9B-3ksvA:
14.2		 5km9B-3ksvA:
23.35
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.
3ksv UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF01230
(HIT) 		7 PHE A   7
ILE A  10
ASP A  31
LEU A  41
VAL A  96
HIS A 100
HIS A 102
 None
 0.45A 5km9B-3ksvA:
14.2		 5km9B-3ksvA:
23.35
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.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		5 ILE A   9
PHE A   6
ILE A  42
LEU A  26
ASP A  30
 None
 0.90A 5km9B-3l7xA:
14.7		 5km9B-3l7xA:
29.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		7 PHE A   6
ILE A   9
ASP A  30
LEU A  40
VAL A  95
HIS A  99
HIS A 101
 None
None
None
None
None
NA  A 141 (-3.7A)
NA  A 141 (-4.1A)
 0.44A 5km9B-3l7xA:
14.7		 5km9B-3l7xA:
29.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lb5 HIT-LIKE PROTEIN
INVOLVED IN
CELL-CYCLE
REGULATION

(Bartonella
henselae) 		PF01230
(HIT) 		7 ILE A  10
PHE A  11
ASP A  35
LEU A  45
VAL A 100
HIS A 104
HIS A 106
 UNL  A 141 ( 4.9A)
None
UNL  A 141 ( 4.2A)
None
None
None
None
 0.47A 5km9B-3lb5A:
14.9		 5km9B-3lb5A:
27.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n1t HIT-LIKE PROTEIN
HINT

(Escherichia
coli) 		PF01230
(HIT) 		7 ILE A   6
PHE A   7
ILE A  10
ASP A  31
LEU A  41
VAL A  97
HIS A 103
 5GP  A 200 (-3.6A)
None
None
5GP  A 200 (-2.3A)
5GP  A 200 (-4.2A)
5GP  A 200 (-3.6A)
5GP  A 200 (-4.1A)
 0.34A 5km9B-3n1tA:
20.2		 5km9B-3n1tA:
36.36
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.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		7 PHE A   5
ILE A   8
ASP A  29
LEU A  39
VAL A  95
HIS A  99
HIS A 101
 None
None
AMP  A 155 (-2.7A)
AMP  A 155 (-4.8A)
AMP  A 155 (-4.5A)
AMP  A 155 (-3.7A)
AMP  A 155 (-3.8A)
 0.37A 5km9B-3o0mA:
14.6		 5km9B-3o0mA:
26.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ILE A 228
LEU A 226
SER A 244
HIS A 247
HIS A 190
 None
None
None
EDO  A 314 (-4.5A)
EDO  A 314 (-4.4A)
 1.18A 5km9B-3ooxA:
undetectable		 5km9B-3ooxA:
17.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oxk PUTATIVE HISTIDINE
TRIAD FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01230
(HIT) 		5 ILE A   6
ILE A  10
ASP A  31
LEU A  41
HIS A 101
 None
None
5GP  A 125 (-2.6A)
5GP  A 125 (-4.7A)
5GP  A 125 (-4.1A)
 0.51A 5km9B-3oxkA:
18.3		 5km9B-3oxkA:
33.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oxk PUTATIVE HISTIDINE
TRIAD FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01230
(HIT) 		7 PHE A   7
ILE A  10
ASP A  31
LEU A  41
VAL A  95
HIS A  99
HIS A 101
 5GP  A 125 (-4.9A)
None
5GP  A 125 (-2.6A)
5GP  A 125 (-4.7A)
None
5GP  A 125 (-3.9A)
5GP  A 125 (-4.1A)
 0.48A 5km9B-3oxkA:
18.3		 5km9B-3oxkA:
33.81
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.
3p0t UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF01230
(HIT) 		5 ILE A   4
ILE A   8
LEU A  39
HIS A  93
HIS A  95
 None
EDO  A 201 ( 4.8A)
None
SO4  A 150 (-3.8A)
SO4  A 150 (-4.1A)
 0.69A 5km9B-3p0tA:
12.2		 5km9B-3p0tA:
27.10
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.
3p0t UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF01230
(HIT) 		5 ILE A   8
LEU A  39
VAL A  89
HIS A  93
HIS A  95
 EDO  A 201 ( 4.8A)
None
SO4  A 150 (-4.2A)
SO4  A 150 (-3.8A)
SO4  A 150 (-4.1A)
 0.54A 5km9B-3p0tA:
12.2		 5km9B-3p0tA:
27.10
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.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ILE A 154
PHE A 153
ILE A 150
ALA A 198
VAL A 158
 None
 1.15A 5km9B-3q6dA:
undetectable		 5km9B-3q6dA:
20.61
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.
3r6f HIT FAMILY PROTEIN

(Encephalitozoon
cuniculi) 		PF01230
(HIT) 		5 ILE A   5
PHE A   6
ASP A  28
LEU A  38
VAL A  87
 None
MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-4.4A)
 0.58A 5km9B-3r6fA:
14.5		 5km9B-3r6fA:
22.89
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.
3r6f HIT FAMILY PROTEIN

(Encephalitozoon
cuniculi) 		PF01230
(HIT) 		6 PHE A   6
ASP A  28
LEU A  38
VAL A  87
HIS A  91
HIS A  93
 MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-4.4A)
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.40A 5km9B-3r6fA:
14.5		 5km9B-3r6fA:
22.89
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.
3rht (GATASE1)-LIKE
PROTEIN

(Planctopirus
limnophila) 		PF07090
(GATase1_like) 		5 ILE A  52
LEU A 248
ASP A 207
VAL A 208
ALA A 209
 None
None
CA  A 257 ( 2.1A)
None
CA  A 257 ( 4.5A)
 0.78A 5km9B-3rhtA:
undetectable		 5km9B-3rhtA:
23.17
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.
3sky COPPER-EXPORTING
P-TYPE ATPASE B

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE A 598
ILE A 600
LEU A 615
LEU A 394
VAL A 386
 None
 1.16A 5km9B-3skyA:
undetectable		 5km9B-3skyA:
19.64
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.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B 137
ILE B  75
LEU B  50
SER B 144
VAL B 143
 None
 1.26A 5km9B-3sqgB:
undetectable		 5km9B-3sqgB:
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 PHE A 124
ILE A 147
LEU A 149
SER A 106
VAL A 107
 None
 1.15A 5km9B-3sucA:
undetectable		 5km9B-3sucA:
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 ILE A 428
LEU A 467
ASP A 347
VAL A 348
ALA A 349
 None
None
EDO  A1516 (-3.8A)
None
EDO  A1513 (-3.6A)
 1.05A 5km9B-3zmrA:
undetectable		 5km9B-3zmrA:
16.28
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ILE A 167
PHE A 171
LEU A 166
ALA A 151
VAL A   6
 None
 1.19A 5km9B-4b3gA:
undetectable		 5km9B-4b3gA:
10.84
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		5 ILE A 166
PHE A 209
ALA A 375
LEU A 203
VAL A 164
 None
 0.90A 5km9B-4b6zA:
undetectable		 5km9B-4b6zA:
17.41
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.
4e79 UDP-3-O-ACYLGLUCOSAM
INE
N-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 ILE A 266
ILE A 254
LEU A 272
SER A 263
VAL A 246
 None
 1.12A 5km9B-4e79A:
undetectable		 5km9B-4e79A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egu HISTIDINE TRIAD
(HIT) PROTEIN

(Clostridioides
difficile) 		PF01230
(HIT) 		8 ILE A   7
PHE A   8
ILE A  11
ASP A  32
LEU A  42
VAL A  98
HIS A 102
HIS A 104
 5GP  A 201 (-4.4A)
5GP  A 201 (-4.4A)
None
5GP  A 201 (-2.2A)
5GP  A 201 (-3.7A)
5GP  A 201 (-3.8A)
5GP  A 201 ( 2.0A)
5GP  A 201 (-2.3A)
 0.51A 5km9B-4eguA:
19.0		 5km9B-4eguA:
30.00
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 LEU A 213
ALA A 282
LEU A 309
HIS A 306
HIS A 317
 None
 1.19A 5km9B-4iheA:
undetectable		 5km9B-4iheA:
18.58
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		5 ILE A  65
LEU A  95
ALA A  60
LEU A  36
SER A 286
 None
None
None
None
NDP  A 401 (-2.7A)
 0.92A 5km9B-4ijrA:
undetectable		 5km9B-4ijrA:
18.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ini HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 ASP A  80
VAL A  81
ALA A  82
LEU A  90
VAL A 145
HIS A 149
 AMP  A 201 (-2.8A)
AMP  A 201 (-3.9A)
AMP  A 201 ( 3.7A)
AMP  A 201 ( 4.8A)
AMP  A 201 (-4.0A)
AMP  A 201 ( 4.1A)
 1.07A 5km9B-4iniA:
20.2		 5km9B-4iniA:
91.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ini HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 ASP A  80
VAL A  81
ALA A  82
LEU A  90
VAL A 145
HIS A 151
 AMP  A 201 (-2.8A)
AMP  A 201 (-3.9A)
AMP  A 201 ( 3.7A)
AMP  A 201 ( 4.8A)
AMP  A 201 (-4.0A)
AMP  A 201 (-4.1A)
 0.40A 5km9B-4iniA:
20.2		 5km9B-4iniA:
91.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k26 CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Mus musculus) 		PF00106
(adh_short) 		5 ILE A 197
PHE A 194
ILE A 210
ALA A 153
LEU A 118
 None
 0.91A 5km9B-4k26A:
undetectable		 5km9B-4k26A:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		8 ILE A  55
PHE A  56
ILE A  59
LEU A  64
ASP A  80
VAL A  81
ALA A  82
LEU A  90
 None
None
None
None
SO4  A 201 (-2.8A)
None
SO4  A 201 ( 4.7A)
None
 0.39A 5km9B-4njzA:
23.8		 5km9B-4njzA:
85.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		10 PHE A  56
ILE A  59
LEU A  64
ASP A  80
VAL A  81
ALA A  82
LEU A  90
VAL A 145
HIS A 149
HIS A 151
 None
None
None
SO4  A 201 (-2.8A)
None
SO4  A 201 ( 4.7A)
None
None
None
SO4  A 201 (-4.8A)
 0.23A 5km9B-4njzA:
23.8		 5km9B-4njzA:
85.28
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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		5 ILE A  56
PHE A  54
ILE A  84
LEU A  77
SER A  40
 None
 1.05A 5km9B-4nzjA:
undetectable		 5km9B-4nzjA:
16.41
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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		5 ILE A  56
PHE A  54
ILE A  84
LEU A  77
VAL A  96
 None
 1.16A 5km9B-4nzjA:
undetectable		 5km9B-4nzjA:
16.41
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.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 5 ILE A 395
VAL A 316
LEU A 407
SER A 418
VAL A 417
 None
 1.25A 5km9B-4po6A:
undetectable		 5km9B-4po6A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP3

(Enterovirus C) 		PF00073
(Rhv) 		5 ILE 3  81
PHE 3  82
ILE 3  70
LEU 3  72
SER 3 132
 None
 1.14A 5km9B-4q4y3:
undetectable		 5km9B-4q4y3:
21.83
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.
4qdv M7GPPPX
DIPHOSPHATASE

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		5 ILE A 179
ASP A 205
SER A 272
HIS A 277
HIS A 279
 None
30U  A 401 (-2.4A)
PO4  A 404 ( 2.7A)
PO4  A 402 (-3.7A)
PO4  A 402 (-4.0A)
 0.76A 5km9B-4qdvA:
11.4		 5km9B-4qdvA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3i YTH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF04146
(YTH) 		5 ILE A 400
ILE A 480
LEU A 359
LEU A 461
HIS A 460
 None
None
UNX  A 607 ( 4.9A)
None
None
 1.24A 5km9B-4r3iA:
undetectable		 5km9B-4r3iA:
21.69
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.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		5 PHE A 199
ILE A 198
LEU A 194
ALA A 258
LEU A 107
 None
 1.24A 5km9B-4ueuA:
undetectable		 5km9B-4ueuA:
18.43
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.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ILE A 324
LEU A  20
ASP A 376
ALA A 375
LEU A 398
 None
 1.00A 5km9B-4uphA:
undetectable		 5km9B-4uphA:
15.56
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.
4wse PUTATIVE POLY(A)
POLYMERASE CATALYTIC
SUBUNIT

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A 144
ILE A 134
LEU A 109
ASP A  94
LEU A 140
 None
 1.22A 5km9B-4wseA:
undetectable		 5km9B-4wseA:
14.40
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.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A  50
PHE A   6
ILE A  48
LEU A  73
VAL A  61
 None
 1.01A 5km9B-4xkjA:
undetectable		 5km9B-4xkjA:
22.83
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.
4y0e PUTATIVE DIOXYGENASE

(Mycobacteroides
abscessus) 		PF02668
(TauD) 		5 ILE A 254
ILE A  46
ALA A  71
VAL A 252
HIS A  63
 None
 1.16A 5km9B-4y0eA:
undetectable		 5km9B-4y0eA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zgl UNCHARACTERIZED
HIT-LIKE PROTEIN
HP_0404

(Helicobacter
pylori) 		PF01230
(HIT) 		7 PHE A   4
ILE A   7
ASP A  28
LEU A  38
VAL A  91
HIS A  95
HIS A  97
 None
 0.41A 5km9B-4zglA:
16.9		 5km9B-4zglA:
30.67
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 LEU A  44
VAL A 159
ALA A 158
HIS A  89
HIS A  84
 None
None
None
ZN  A1457 (-3.5A)
ZN  A1458 (-3.6A)
 1.12A 5km9B-5a0tA:
undetectable		 5km9B-5a0tA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 PHE A 162
ILE A 139
LEU A 206
VAL A 151
ALA A 126
 None
 1.13A 5km9B-5b04A:
undetectable		 5km9B-5b04A:
16.96
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.
5cs2 HISTIDINE TRIAD
PROTEIN

(Plasmodium
falciparum) 		PF01230
(HIT) 		6 PHE A  24
ILE A  29
LEU A  56
VAL A 111
HIS A 115
HIS A 117
 None
None
None
CL  A1000 ( 3.9A)
None
None
 0.43A 5km9B-5cs2A:
10.8		 5km9B-5cs2A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		5 ILE A 339
LEU A 343
ALA A 145
LEU A 328
HIS A 325
 None
None
None
GOL  A 407 ( 4.8A)
GOL  A 407 (-4.1A)
 1.07A 5km9B-5d6oA:
undetectable		 5km9B-5d6oA:
18.34
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ILE C  33
ILE C  35
LEU C 196
LEU C 135
HIS C 149
 None
 1.17A 5km9B-5fmgC:
undetectable		 5km9B-5fmgC:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		5 ILE A 446
PHE A 443
ILE A 439
VAL A 202
ALA A 201
 None
 0.78A 5km9B-5fygA:
undetectable		 5km9B-5fygA:
14.78
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.
5hsz NUCLEOID OCCLUSION
FACTOR SLMA

(Klebsiella
pneumoniae) 		PF00440
(TetR_N) 		5 ILE A  66
ILE A 108
LEU A 105
ASP A  60
LEU A 121
 None
 1.21A 5km9B-5hszA:
undetectable		 5km9B-5hszA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5km5 HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 ASP A  80
VAL A  81
ALA A  82
LEU A  90
VAL A 145
HIS A 149
 None
 0.99A 5km9B-5km5A:
19.8		 5km9B-5km5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5km5 HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		6 ASP A  80
VAL A  81
ALA A  82
LEU A  90
VAL A 145
HIS A 151
 None
None
None
None
None
CL  A 201 (-4.5A)
 0.31A 5km9B-5km5A:
19.8		 5km9B-5km5A:
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.
5m3c DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A1107
PHE A1111
LEU A1075
VAL A1122
ALA A1121
 None
 1.25A 5km9B-5m3cA:
undetectable		 5km9B-5m3cA:
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Psychrobacter
arcticus) 		PF01634
(HisG) 		5 PHE E 223
ILE E 219
LEU E 216
ALA E  27
LEU E  41
 None
 0.91A 5km9B-5m8hE:
undetectable		 5km9B-5m8hE:
23.96
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 ILE A1394
ASP A1343
VAL A1364
LEU A1396
HIS A1245
 None
 1.11A 5km9B-5n8oA:
2.2		 5km9B-5n8oA:
6.06
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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 ILE A 269
ILE A 661
SER A 246
VAL A 514
HIS A 545
 None
 1.17A 5km9B-5nfhA:
undetectable		 5km9B-5nfhA:
14.95
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.
5ujm ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF13191
(AAA_16)
PF14630
(ORC5_C) 		5 ILE E 311
PHE E 308
ILE E 369
LEU E 315
VAL E 423
 None
 1.26A 5km9B-5ujmE:
undetectable		 5km9B-5ujmE:
16.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN

(Ruminiclostridium
thermocellum) 		PF11969
(DcpS_C) 		7 PHE A   6
ILE A   9
ASP A  30
LEU A  40
VAL A  96
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
UNX  A 213 ( 3.0A)
None
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.39A 5km9B-5uvmA:
20.1		 5km9B-5uvmA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN

(Ruminiclostridium
thermocellum) 		PF11969
(DcpS_C) 		7 PHE A   6
ILE A   9
LEU A  14
LEU A  40
VAL A  96
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
None
None
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.68A 5km9B-5uvmA:
20.1		 5km9B-5uvmA:
33.33
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		5 ILE A 161
ILE A 163
LEU A 130
ALA A 199
VAL A 253
 None
 1.18A 5km9B-5xcyA:
undetectable		 5km9B-5xcyA:
17.04
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 5 ILE A 224
LEU A 220
VAL A 172
ALA A 173
HIS A 195
 None
 1.15A 5km9B-6cjbA:
undetectable		 5km9B-6cjbA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ckb -

(-) 		no annotation 5 ILE A 194
PHE A 259
ILE A 218
LEU A 117
SER A 227
 None
 1.23A 5km9B-6ckbA:
undetectable		 5km9B-6ckbA:
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.
6cvq APRATAXIN

(Homo sapiens) 		no annotation 5 ASP A 193
LEU A 203
SER A 255
HIS A 260
HIS A 262
 AMP  A 401 (-2.2A)
AMP  A 401 ( 4.7A)
NA  A 403 ( 2.4A)
AMP  A 401 (-3.8A)
AMP  A 401 (-4.0A)
 0.32A 5km9B-6cvqA:
11.6		 5km9B-6cvqA:
19.44
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.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 5 ILE A   8
PHE A   5
ILE A  41
LEU A  25
ASP A  29
 None
 0.97A 5km9B-6d6jA:
21.1		 5km9B-6d6jA:
27.87
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.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 7 PHE A   5
ILE A   8
ASP A  29
LEU A  39
VAL A  95
HIS A  99
HIS A 101
 None
 0.45A 5km9B-6d6jA:
21.1		 5km9B-6d6jA:
27.87
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ILE X 212
ILE X 208
LEU X 209
ALA X 601
VAL X 571
 None
 1.05A 5km9B-6elqX:
undetectable		 5km9B-6elqX:
19.55