SIMILAR PATTERNS OF AMINO ACIDS FOR 3HKU_A_TORA300

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.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		5 ALA A 389
VAL A 597
PHE A 641
VAL A 410
LEU A 611
 None
 1.30A 3hkuA-1i6qA:
undetectable		 3hkuA-1i6qA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
None
 0.44A 3hkuA-1jd0A:
36.6		 3hkuA-1jd0A:
36.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ASN A  62
HIS A  96
VAL A 121
LEU A 198
THR A 200
 None
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 0.86A 3hkuA-1jd0A:
36.6		 3hkuA-1jd0A:
36.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		6 ASN A  64
GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 178
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.29A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		9 ASN A  64
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 178
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
None
 0.41A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		5 GLN A  69
HIS A  92
HIS A  94
LEU A 176
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.12A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		6 GLN A  90
HIS A  92
HIS A  94
VAL A 113
LEU A 176
THR A 177
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 1.49A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 ASN A 130
ALA A 129
ASN A 256
VAL A 235
LEU A  12
 None
 1.33A 3hkuA-1nrwA:
undetectable		 3hkuA-1nrwA:
22.08
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.
1p5v F1 CAPSULE ANTIGEN

(Yersinia pestis) 		PF09255
(Antig_Caf1) 		5 ASN B 106
VAL B  60
PHE B 121
VAL B 146
LEU B 114
 None
 1.33A 3hkuA-1p5vB:
undetectable		 3hkuA-1p5vB:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 220
VAL A 543
PHE A 527
LEU A 250
THR A 249
 None
 1.19A 3hkuA-1qf7A:
undetectable		 3hkuA-1qf7A:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.64A 3hkuA-1rj6A:
37.2		 3hkuA-1rj6A:
37.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 200
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.11A 3hkuA-1rj6A:
37.2		 3hkuA-1rj6A:
37.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 200
 None
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.16A 3hkuA-1rj6A:
37.2		 3hkuA-1rj6A:
37.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.50A 3hkuA-1rj6A:
37.2		 3hkuA-1rj6A:
37.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 ALA A  65
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
None
None
 0.31A 3hkuA-1urtA:
36.7		 3hkuA-1urtA:
51.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
 1.47A 3hkuA-1urtA:
36.7		 3hkuA-1urtA:
51.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		8 GLN A 113
HIS A 115
HIS A 117
VAL A 137
VAL A 153
LEU A 216
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 ( 4.9A)
None
 0.19A 3hkuA-1y7wA:
26.2		 3hkuA-1y7wA:
32.05
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.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 220
VAL E 543
PHE E 527
LEU A 250
THR A 249
 None
 1.19A 3hkuA-1ye9A:
undetectable		 3hkuA-1ye9A:
24.45
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 GLN A  78
HIS A  75
HIS A  73
PHE A  99
VAL A 160
 GUN  A 503 (-3.4A)
FE  A 501 ( 3.6A)
FE  A 501 (-3.4A)
None
None
 1.08A 3hkuA-2i9uA:
undetectable		 3hkuA-2i9uA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
TRP A 209
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
None
 0.58A 3hkuA-2it4A:
40.7		 3hkuA-2it4A:
60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
PHE A  91
VAL A 143
LEU A 198
TRP A 209
 ZN  A 561 ( 3.2A)
None
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
None
 1.12A 3hkuA-2it4A:
40.7		 3hkuA-2it4A:
60.55
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.
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU

(Homo sapiens) 		PF00041
(fn3)
PF00047
(ig)
PF00629
(MAM) 		5 HIS A  75
VAL A 137
PHE A 139
VAL A  98
LEU A 125
 None
 1.18A 3hkuA-2v5yA:
undetectable		 3hkuA-2v5yA:
16.99
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		5 ALA A  14
HIS A  15
VAL A  60
LEU A  53
THR A  52
 None
 1.18A 3hkuA-2ymuA:
undetectable		 3hkuA-2ymuA:
20.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
None
None
None
 0.43A 3hkuA-2zncA:
32.1		 3hkuA-2zncA:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 ASN A  62
HIS A  96
VAL A 121
LEU A 198
THR A 200
 None
ZN  A   1 ( 3.3A)
None
None
None
 0.96A 3hkuA-2zncA:
32.1		 3hkuA-2zncA:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
 1.49A 3hkuA-2zncA:
32.1		 3hkuA-2zncA:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
None
 1.10A 3hkuA-2zncA:
32.1		 3hkuA-2zncA:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 200
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
None
None
None
 1.31A 3hkuA-2zncA:
32.1		 3hkuA-2zncA:
35.56
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ALA A 543
VAL A 606
PHE A 604
LEU A 641
THR A 633
 None
 1.20A 3hkuA-3a0fA:
undetectable		 3hkuA-3a0fA:
16.08
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 ASN A 110
GLN A 115
HIS A 165
VAL A 184
LEU A 259
THR A 261
 None
None
ZN  A 378 (-3.3A)
None
None
None
 1.34A 3hkuA-3b1bA:
25.1		 3hkuA-3b1bA:
25.45
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		9 ASN A 110
GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 261
TRP A 270
 None
None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
None
None
None
 0.26A 3hkuA-3b1bA:
25.1		 3hkuA-3b1bA:
25.45
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 115
HIS A 163
HIS A 165
LEU A 259
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
 1.12A 3hkuA-3b1bA:
25.1		 3hkuA-3b1bA:
25.45
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 HIS A 107
HIS A 109
VAL A   3
LEU A  35
THR A  31
 None
 1.16A 3hkuA-3c4qA:
undetectable		 3hkuA-3c4qA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 ASN A  68
GLN A  93
HIS A  95
HIS A  97
VAL A 122
PHE A 132
LEU A 199
 None
4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
4MD  A 401 (-4.2A)
 0.95A 3hkuA-3da2A:
42.0		 3hkuA-3da2A:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 ASN A  68
HIS A  95
HIS A  97
VAL A 122
PHE A 132
VAL A 144
LEU A 199
TRP A 210
 None
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
None
 0.56A 3hkuA-3da2A:
42.0		 3hkuA-3da2A:
60.15
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLN A  87
HIS A  84
HIS A  82
PHE A 108
VAL A 169
 None
ZN  A1452 (-3.1A)
ZN  A1452 (-3.3A)
None
None
 1.01A 3hkuA-3e0lA:
undetectable		 3hkuA-3e0lA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 ASN A  83
GLN A 109
HIS A 111
HIS A 113
VAL A 140
VAL A 161
LEU A 219
TRP A 230
 None
None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
 0.61A 3hkuA-3fe4A:
31.3		 3hkuA-3fe4A:
34.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 111
HIS A 113
VAL A 140
VAL A 161
LEU A 219
THR A 220
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
 1.46A 3hkuA-3fe4A:
31.3		 3hkuA-3fe4A:
34.81
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 ALA A 348
VAL A 130
VAL A   6
LEU A  20
THR A  19
 None
 1.09A 3hkuA-3g5sA:
undetectable		 3hkuA-3g5sA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  62
GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 200
 None
None
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.30A 3hkuA-3ml5A:
43.3		 3hkuA-3ml5A:
55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.37A 3hkuA-3ml5A:
43.3		 3hkuA-3ml5A:
55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 200
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.13A 3hkuA-3ml5A:
43.3		 3hkuA-3ml5A:
55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 131
LEU A 198
THR A 199
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 1.38A 3hkuA-3ml5A:
43.3		 3hkuA-3ml5A:
55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
HIS A 125
VAL A 144
LEU A 214
THR A 215
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.44A 3hkuA-3q31A:
24.6		 3hkuA-3q31A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		8 GLN A 121
HIS A 123
HIS A 125
VAL A 144
VAL A 154
LEU A 214
THR A 216
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 0.44A 3hkuA-3q31A:
24.6		 3hkuA-3q31A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 HIS A 142
HIS A 125
VAL A 154
LEU A 214
THR A 216
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-2.8A)
 1.28A 3hkuA-3q31A:
24.6		 3hkuA-3q31A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 130
VAL A 142
THR A 199
TRP A 208
 None
None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
None
None
None
 0.46A 3hkuA-3uyqA:
41.0		 3hkuA-3uyqA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 142
THR A 198
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
ZN  A 261 ( 4.4A)
 1.26A 3hkuA-3uyqA:
41.0		 3hkuA-3uyqA:
58.85
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ALA A 713
HIS A 661
PHE A 667
LEU A 630
THR A 639
 None
 1.08A 3hkuA-3wfaA:
undetectable		 3hkuA-3wfaA:
16.17
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ASN A 253
HIS A 303
VAL A  88
VAL A 349
LEU A 281
 None
 1.20A 3hkuA-4fwgA:
undetectable		 3hkuA-4fwgA:
15.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		6 ASN A  62
GLN A  67
HIS A  91
VAL A 110
LEU A 173
THR A 175
 None
None
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.37A 3hkuA-4g7aA:
29.8		 3hkuA-4g7aA:
34.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  87
HIS A  89
HIS A  91
VAL A 110
VAL A 120
LEU A 173
THR A 175
TRP A 184
 None
AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
 0.30A 3hkuA-4g7aA:
29.8		 3hkuA-4g7aA:
34.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  89
HIS A  91
LEU A 173
THR A 175
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.17A 3hkuA-4g7aA:
29.8		 3hkuA-4g7aA:
34.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		6 GLN A  87
HIS A  89
HIS A  91
VAL A 110
LEU A 173
THR A 174
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.47A 3hkuA-4g7aA:
29.8		 3hkuA-4g7aA:
34.26
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 ASN A 167
ALA A  35
VAL A   4
LEU A 277
THR A 273
 None
GOL  A 401 (-3.9A)
None
None
None
 1.22A 3hkuA-4gm6A:
undetectable		 3hkuA-4gm6A:
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ASN A 441
ASN A 418
VAL A 367
PHE A 352
LEU A 389
 None
 1.32A 3hkuA-4mn8A:
undetectable		 3hkuA-4mn8A:
16.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 ALA A  65
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 131
LEU A 198
THR A 199
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.41A 3hkuA-4qk3A:
44.2		 3hkuA-4qk3A:
95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		12 ASN A  62
ALA A  65
ASN A  67
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
None
None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
None
None
None
 0.35A 3hkuA-4qk3A:
44.2		 3hkuA-4qk3A:
95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  67
ALA A  65
HIS A  96
VAL A 143
LEU A 198
THR A 200
 None
None
ZN  A 301 (-3.2A)
None
None
None
 1.30A 3hkuA-4qk3A:
44.2		 3hkuA-4qk3A:
95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 200
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
None
 1.31A 3hkuA-4qk3A:
44.2		 3hkuA-4qk3A:
95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		9 ASN A  85
GLN A 110
HIS A 112
HIS A 114
VAL A 133
VAL A 143
LEU A 197
THR A 199
TRP A 208
 None
CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
 0.36A 3hkuA-4uovA:
31.1		 3hkuA-4uovA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		5 ASN A  85
HIS A 114
VAL A 133
LEU A 197
THR A 199
 None
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
 1.04A 3hkuA-4uovA:
31.1		 3hkuA-4uovA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		6 GLN A 110
HIS A 112
HIS A 114
VAL A 133
LEU A 197
THR A 198
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
 1.40A 3hkuA-4uovA:
31.1		 3hkuA-4uovA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		6 ASN A  62
GLN A  67
HIS A  91
VAL A 110
LEU A 173
THR A 175
 None
None
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 1.36A 3hkuA-4x5sA:
29.8		 3hkuA-4x5sA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  87
HIS A  89
HIS A  91
VAL A 110
VAL A 120
LEU A 173
THR A 175
TRP A 184
 None
AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
 0.31A 3hkuA-4x5sA:
29.8		 3hkuA-4x5sA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		6 GLN A  87
HIS A  89
HIS A  91
VAL A 110
LEU A 173
THR A 174
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 1.44A 3hkuA-4x5sA:
29.8		 3hkuA-4x5sA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 110
HIS A 112
VAL A 131
VAL A 141
LEU A 190
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
None
None
None
None
 0.49A 3hkuA-4xfwA:
26.4		 3hkuA-4xfwA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 138
HIS A 160
HIS A 162
LEU A 253
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.00A 3hkuA-4xixA:
25.8		 3hkuA-4xixA:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 138
HIS A 162
VAL A 181
LEU A 253
THR A 255
 None
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.04A 3hkuA-4xixA:
25.8		 3hkuA-4xixA:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		8 GLN A 158
HIS A 160
HIS A 162
VAL A 181
VAL A 192
LEU A 253
THR A 255
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
None
 0.30A 3hkuA-4xixA:
25.8		 3hkuA-4xixA:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		5 ASN A 138
GLN A 143
HIS A 167
VAL A 186
THR A 253
 None
None
ZN  A 401 ( 3.3A)
None
BCT  A 402 ( 4.4A)
 1.20A 3hkuA-4xz5A:
29.6		 3hkuA-4xz5A:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		9 ASN A 138
GLN A 163
HIS A 165
HIS A 167
VAL A 186
VAL A 196
LEU A 251
THR A 253
TRP A 262
 None
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 ( 4.4A)
None
 0.35A 3hkuA-4xz5A:
29.6		 3hkuA-4xz5A:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		5 ASN A 138
HIS A 167
VAL A 186
LEU A 251
THR A 253
 None
ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 ( 4.4A)
 0.92A 3hkuA-4xz5A:
29.6		 3hkuA-4xz5A:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		6 GLN A 163
HIS A 165
HIS A 167
VAL A 186
LEU A 251
THR A 252
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
 1.49A 3hkuA-4xz5A:
29.6		 3hkuA-4xz5A:
32.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  62
GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 200
 GOL  A 303 (-3.9A)
GOL  A 303 (-3.4A)
ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
GOL  A 303 ( 3.5A)
 1.24A 3hkuA-5cjfA:
36.9		 3hkuA-5cjfA:
36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 GOL  A 303 (-3.9A)
GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
GOL  A 303 ( 3.5A)
None
 0.26A 3hkuA-5cjfA:
36.9		 3hkuA-5cjfA:
36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 200
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 (-3.6A)
GOL  A 303 ( 3.5A)
 1.11A 3hkuA-5cjfA:
36.9		 3hkuA-5cjfA:
36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A 151
PHE A 187
LEU A 256
THR A 258
TRP A 267
 None
 0.68A 3hkuA-5e5uA:
34.3		 3hkuA-5e5uA:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		11 ASN X  61
ASN X  66
GLN X  91
HIS X  93
HIS X  95
VAL X 120
PHE X 129
VAL X 141
LEU X 196
THR X 198
TRP X 207
 None
None
None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
None
None
None
 0.39A 3hkuA-5eztX:
44.0		 3hkuA-5eztX:
80.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 ASN X  61
HIS X  95
VAL X 120
LEU X 196
THR X 198
 None
ZN  X 301 (-3.2A)
None
None
None
 0.99A 3hkuA-5eztX:
44.0		 3hkuA-5eztX:
80.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 ASN X  66
HIS X  95
VAL X 141
LEU X 196
THR X 198
 None
ZN  X 301 (-3.2A)
None
None
None
 0.91A 3hkuA-5eztX:
44.0		 3hkuA-5eztX:
80.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 HIS X 118
HIS X  95
VAL X 141
LEU X 196
THR X 198
 ZN  X 301 (-3.1A)
ZN  X 301 (-3.2A)
None
None
None
 1.34A 3hkuA-5eztX:
44.0		 3hkuA-5eztX:
80.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 GLN A 281
HIS A 284
HIS A 289
PHE A 342
LEU A 331
 None
MN  A 606 (-3.7A)
MN  A 606 (-3.4A)
None
None
 1.21A 3hkuA-5fnoA:
undetectable		 3hkuA-5fnoA:
16.78
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		5 GLN A 287
HIS A 290
HIS A 294
PHE A 347
LEU A 336
 None
MN  A1000 (-3.5A)
MN  A1000 (-3.3A)
None
None
 1.13A 3hkuA-5fx8A:
undetectable		 3hkuA-5fx8A:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		9 ASN A  69
GLN A  94
HIS A  96
HIS A  98
VAL A 117
VAL A 127
LEU A 181
THR A 183
TRP A 192
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
None
None
 0.44A 3hkuA-5hpjA:
29.2		 3hkuA-5hpjA:
35.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		5 ASN A  69
HIS A  98
VAL A 117
LEU A 181
THR A 183
 None
ZN  A 301 (-3.2A)
None
None
None
 1.05A 3hkuA-5hpjA:
29.2		 3hkuA-5hpjA:
35.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		6 GLN A  94
HIS A  96
HIS A  98
VAL A 117
LEU A 181
THR A 182
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 1.49A 3hkuA-5hpjA:
29.2		 3hkuA-5hpjA:
35.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 None
EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.9A)
None
 0.46A 3hkuA-5jn9A:
33.2		 3hkuA-5jn9A:
35.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ASN A  62
HIS A  96
VAL A 121
LEU A 198
THR A 200
 None
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.9A)
 1.06A 3hkuA-5jn9A:
33.2		 3hkuA-5jn9A:
35.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
 1.42A 3hkuA-5jn9A:
33.2		 3hkuA-5jn9A:
35.42
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.
5l35 GENE 5 PROTEIN

(Shigella virus
Sf6) 		PF11651
(P22_CoatProtein) 		5 ALA A 299
VAL A 268
PHE A 270
VAL A 341
LEU A 251
 None
 1.17A 3hkuA-5l35A:
undetectable		 3hkuA-5l35A:
21.73
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.
5la0 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 ASN A  46
ALA A  48
VAL A 265
PHE A 252
LEU A 300
 None
 1.31A 3hkuA-5la0A:
undetectable		 3hkuA-5la0A:
18.97
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ALA B 459
GLN B 479
VAL B 483
LEU B 468
THR B 466
 None
 1.26A 3hkuA-5mkkB:
undetectable		 3hkuA-5mkkB:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 ALA B 426
ASN B 455
HIS B 425
PHE B 816
LEU B 797
 None
 1.21A 3hkuA-5my0B:
undetectable		 3hkuA-5my0B:
17.33
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
RNA POLYMERASE II
SUBUNIT B12.5

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF13656
(RNA_pol_L_2) 		5 ASN K   2
HIS A 400
VAL A 367
VAL A 461
LEU A 375
 None
 1.14A 3hkuA-5xogK:
undetectable		 3hkuA-5xogK:
19.84
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5

(Homo sapiens) 		no annotation 5 ALA D 169
VAL D 334
PHE D 199
VAL D 364
LEU D 747
 None
 1.33A 3hkuA-6cetD:
undetectable		 3hkuA-6cetD:
17.96
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 9 ASN A  90
GLN A 115
HIS A 117
HIS A 119
VAL A 138
VAL A 148
LEU A 201
THR A 203
TRP A 212
 None
None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
None
None
None
None
 0.30A 3hkuA-6ekiA:
29.7		 3hkuA-6ekiA:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ASN A  90
HIS A 119
VAL A 138
LEU A 201
THR A 203
 None
ZN  A 301 (-3.3A)
None
None
None
 1.00A 3hkuA-6ekiA:
29.7		 3hkuA-6ekiA:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 9 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 200
TRP A 209
 V14  A 302 (-3.4A)
V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.5A)
None
 0.39A 3hkuA-6fe1A:
34.0		 3hkuA-6fe1A:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 5 ASN A  62
HIS A  96
VAL A 121
LEU A 198
THR A 200
 V14  A 302 (-3.4A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.5A)
 1.09A 3hkuA-6fe1A:
34.0		 3hkuA-6fe1A:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h31 DIHEME CYTOCHROME C

(Rhodovulum
sulfidophilum) 		no annotation 3 GLU A 242
HIS A 216
THR A 106
 None
 0.64A 3hkuA-1h31A:
undetectable		 3hkuA-1h31A:
20.28
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.
1hm7 PENTALENENE SYNTHASE

(Streptomyces
exfoliatus) 		no annotation 3 GLU A 193
HIS A 196
THR A 132
 None
 0.77A 3hkuA-1hm7A:
undetectable		 3hkuA-1hm7A:
22.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 901 ( 4.5A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-3.6A)
 0.09A 3hkuA-1jd0A:
36.6		 3hkuA-1jd0A:
36.57
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		3 GLU A  87
HIS A  11
THR A 122
 None
 0.86A 3hkuA-1k1xA:
undetectable		 3hkuA-1k1xA:
17.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		3 GLU A  98
HIS A 111
THR A 177
 ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
 0.14A 3hkuA-1kopA:
29.4		 3hkuA-1kopA:
33.83
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		3 GLU A 119
HIS A  89
THR A 117
 5CA  A 512 (-3.0A)
None
5CA  A 512 (-3.5A)
 0.88A 3hkuA-1nj1A:
undetectable		 3hkuA-1nj1A:
19.84
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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		3 GLU A 359
HIS A 339
THR A 295
 None
 0.80A 3hkuA-1nyqA:
undetectable		 3hkuA-1nyqA:
17.49
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.
1pxz MAJOR POLLEN
ALLERGEN JUN A 1

(Juniperus ashei) 		PF00544
(Pec_lyase_C) 		3 GLU A 264
HIS A 239
THR A 318
 None
 0.77A 3hkuA-1pxzA:
undetectable		 3hkuA-1pxzA:
21.75
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.
1qu0 LAMININ ALPHA2 CHAIN

(Mus musculus) 		PF02210
(Laminin_G_2) 		3 GLU A2987
HIS A2996
THR A3075
 None
 0.81A 3hkuA-1qu0A:
undetectable		 3hkuA-1qu0A:
25.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 601 ( 4.5A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.6A)
 0.28A 3hkuA-1rj6A:
37.2		 3hkuA-1rj6A:
37.31
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.
1s3i 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE

(Rattus
norvegicus) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		3 GLU A 201
HIS A 125
THR A 199
 None
 0.89A 3hkuA-1s3iA:
undetectable		 3hkuA-1s3iA:
24.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 280 ( 4.7A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.9A)
 0.18A 3hkuA-1urtA:
36.7		 3hkuA-1urtA:
51.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vfg POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol) 		3 GLU A 252
HIS A 245
THR A 322
 None
 0.86A 3hkuA-1vfgA:
undetectable		 3hkuA-1vfgA:
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.
1vhv DIPHTHINE SYNTHASE

(Archaeoglobus
fulgidus) 		PF00590
(TP_methylase) 		3 GLU A  32
HIS A  91
THR A  35
 None
 0.78A 3hkuA-1vhvA:
undetectable		 3hkuA-1vhvA:
23.08
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.
1wde PROBABLE DIPHTHINE
SYNTHASE

(Aeropyrum
pernix) 		PF00590
(TP_methylase) 		3 GLU A  39
HIS A 100
THR A  42
 None
 0.78A 3hkuA-1wdeA:
undetectable		 3hkuA-1wdeA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x6m GLUTATHIONE-DEPENDEN
T
FORMALDEHYDE-ACTIVAT
ING ENZYME

(Paracoccus
denitrificans) 		PF04828
(GFA) 		3 GLU A 166
HIS A   2
THR A   6
 None
 0.89A 3hkuA-1x6mA:
undetectable		 3hkuA-1x6mA:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		3 GLU A 122
HIS A 135
THR A 217
 ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-3.4A)
 0.10A 3hkuA-1y7wA:
26.2		 3hkuA-1y7wA:
32.05
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.
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 GLU A 347
HIS A  31
THR A 284
 None
 0.82A 3hkuA-1ys4A:
undetectable		 3hkuA-1ys4A:
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.
2a0j PTS SYSTEM, NITROGEN
REGULATORY IIA
PROTEIN

(Neisseria
meningitidis) 		PF00359
(PTS_EIIA_2) 		3 GLU A  36
HIS A  12
THR A  77
 None
 0.79A 3hkuA-2a0jA:
undetectable		 3hkuA-2a0jA:
22.14
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.
2avf COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 GLU A 180
HIS A 245
THR A 252
 None
 0.77A 3hkuA-2avfA:
undetectable		 3hkuA-2avfA:
25.30
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 GLU A  45
HIS A  47
THR A 489
 None
 0.87A 3hkuA-2b39A:
undetectable		 3hkuA-2b39A:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 GLU A 342
HIS A  27
THR A 279
 None
 0.86A 3hkuA-2ep5A:
undetectable		 3hkuA-2ep5A:
20.67
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.
2fel 3-CARBOXY-CIS,CIS-MU
CONATE LACTONIZING
ENZYME

(Agrobacterium
tumefaciens) 		PF00206
(Lyase_1) 		3 GLU A 339
HIS A 133
THR A 137
 None
 0.86A 3hkuA-2felA:
undetectable		 3hkuA-2felA:
21.88
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		3 GLU A 319
HIS A 362
THR A  20
 None
 0.66A 3hkuA-2ggqA:
undetectable		 3hkuA-2ggqA:
20.64
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		3 GLU A 342
HIS A 197
THR A 337
 None
 0.87A 3hkuA-2gv9A:
undetectable		 3hkuA-2gv9A:
12.54
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		3 GLU A  23
HIS A  25
THR A 469
 None
 0.77A 3hkuA-2iceA:
undetectable		 3hkuA-2iceA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 561 ( 4.9A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.6A)
 0.29A 3hkuA-2it4A:
40.7		 3hkuA-2it4A:
60.55
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		3 GLU A  13
HIS A  73
THR A  11
 None
 0.77A 3hkuA-2jh9A:
undetectable		 3hkuA-2jh9A:
18.44
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.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		3 GLU A 142
HIS A 167
THR A 124
 None
 0.89A 3hkuA-2jhqA:
undetectable		 3hkuA-2jhqA:
20.92
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.
2p6d DIPHTHINE SYNTHASE

(Pyrococcus
horikoshii) 		PF00590
(TP_methylase) 		3 GLU A  33
HIS A  94
THR A  36
 None
 0.74A 3hkuA-2p6dA:
undetectable		 3hkuA-2p6dA:
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.
2p6w PUTATIVE
GLYCOSYLTRANSFERASE
(MANNOSYLTRANSFERASE
) INVOLVED IN
GLYCOSYLATING THE
PBCV-1 MAJOR CAPSID
PROTEIN

(Paramecium
bursaria
Chlorella virus
1) 		PF05637
(Glyco_transf_34) 		3 GLU A 151
HIS A  54
THR A 120
 None
 0.77A 3hkuA-2p6wA:
undetectable		 3hkuA-2p6wA:
21.03
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		3 GLU A 192
HIS A 390
THR A 393
 None
 0.84A 3hkuA-2paaA:
undetectable		 3hkuA-2paaA:
19.07
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 GLU A 615
HIS A 610
THR A 690
 None
 0.81A 3hkuA-2qobA:
undetectable		 3hkuA-2qobA:
20.23
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.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		3 GLU A 669
HIS A 664
THR A 744
 None
 0.85A 3hkuA-2r2pA:
undetectable		 3hkuA-2r2pA:
20.97
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.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 GLU A 166
HIS A 231
THR A 238
 None
 0.78A 3hkuA-2vmjA:
undetectable		 3hkuA-2vmjA:
23.89
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		3 GLU A   7
HIS A 106
THR A   9
 None
ANP  A1531 (-3.4A)
None
 0.87A 3hkuA-2vwbA:
undetectable		 3hkuA-2vwbA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 128
HIS A 141
THR A 223
 None
CL  A 401 (-4.1A)
CL  A 401 ( 4.8A)
 0.20A 3hkuA-2w2jA:
37.4		 3hkuA-2w2jA:
39.19
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		3 GLU A 122
HIS A  30
THR A 108
 None
 0.87A 3hkuA-2z8zA:
undetectable		 3hkuA-2z8zA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A   1 ( 4.8A)
ZN  A   1 ( 3.2A)
ZN  A   1 ( 4.7A)
 0.29A 3hkuA-2zncA:
32.1		 3hkuA-2zncA:
35.56
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		3 GLU A 138
HIS A 115
THR A  73
 None
 0.80A 3hkuA-3a31A:
undetectable		 3hkuA-3a31A:
19.96
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		3 GLU A 169
HIS A 182
THR A 260
 ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
 0.14A 3hkuA-3b1bA:
25.1		 3hkuA-3b1bA:
25.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 107
HIS A 120
THR A 200
 ZN  A 301 ( 4.9A)
ZN  A 301 ( 3.2A)
4MD  A 401 (-3.2A)
 0.21A 3hkuA-3da2A:
42.0		 3hkuA-3da2A:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 125
HIS A 138
THR A 220
 MG  A 901 ( 4.4A)
MG  A 901 (-3.2A)
None
 0.63A 3hkuA-3fe4A:
31.3		 3hkuA-3fe4A:
34.81
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		3 GLU A 451
HIS A 462
THR A 453
 None
 0.88A 3hkuA-3gf7A:
undetectable		 3hkuA-3gf7A:
20.20
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 GLU A 180
HIS A 245
THR A 252
 None
 0.82A 3hkuA-3h4hA:
undetectable		 3hkuA-3h4hA:
21.45
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		3 GLU A  22
HIS A  24
THR A 458
 None
 0.80A 3hkuA-3hs0A:
undetectable		 3hkuA-3hs0A:
17.96
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 GLU B 690
HIS B 688
THR B 659
 None
 0.71A 3hkuA-3l91B:
undetectable		 3hkuA-3l91B:
18.25
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		3 GLU X 783
HIS X1016
THR X 695
 None
 0.82A 3hkuA-3lxuX:
undetectable		 3hkuA-3lxuX:
10.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 263 ( 4.6A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-3.4A)
 0.11A 3hkuA-3ml5A:
43.3		 3hkuA-3ml5A:
55.60
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.
3nnm CURA

(Lyngbya
majuscula) 		PF05721
(PhyH) 		3 GLU A  49
HIS A 270
THR A 276
 None
 0.47A 3hkuA-3nnmA:
undetectable		 3hkuA-3nnmA:
23.51
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.
3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		3 GLU A  62
HIS A 212
THR A 131
 None
CIT  A 303 (-4.6A)
None
 0.74A 3hkuA-3p6lA:
undetectable		 3hkuA-3p6lA:
24.25
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.
3pnu DIHYDROOROTASE

(Campylobacter
jejuni) 		PF04909
(Amidohydro_2) 		3 GLU A 164
HIS A  10
THR A 184
 None
ZN  A 337 (-3.3A)
None
 0.87A 3hkuA-3pnuA:
undetectable		 3hkuA-3pnuA:
23.18
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 GLU B  44
HIS B  46
THR B 480
 None
 0.86A 3hkuA-3prxB:
undetectable		 3hkuA-3prxB:
9.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		3 GLU A 129
HIS A 142
THR A 215
 ZN  A   1 ( 4.7A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
 0.20A 3hkuA-3q31A:
24.6		 3hkuA-3q31A:
30.69
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.
3up6 HYPOTHETICAL PROTEIN
BACOVA_04078

(Bacteroides
ovatus) 		no annotation 3 GLU A 110
HIS A  77
THR A 115
 None
 0.85A 3hkuA-3up6A:
undetectable		 3hkuA-3up6A:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 198
 ZN  A 261 ( 4.9A)
ZN  A 261 (-3.2A)
ZN  A 261 ( 4.4A)
 0.17A 3hkuA-3uyqA:
41.0		 3hkuA-3uyqA:
58.85
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		3 GLU A 337
HIS A 285
THR A 194
 None
 0.87A 3hkuA-3vvjA:
undetectable		 3hkuA-3vvjA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 GLU A 317
HIS A 304
THR A 268
 None
 0.76A 3hkuA-4dpgA:
undetectable		 3hkuA-4dpgA:
20.47
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 GLU A 349
HIS A  30
THR A 283
 None
 0.87A 3hkuA-4dpkA:
undetectable		 3hkuA-4dpkA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo0 ACTIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF00022
(Actin) 		3 GLU A 295
HIS A 300
THR A 527
 None
 0.71A 3hkuA-4fo0A:
undetectable		 3hkuA-4fo0A:
18.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		3 GLU A  95
HIS A 108
THR A 174
 AZM  A 302 ( 4.6A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.4A)
 0.08A 3hkuA-4g7aA:
29.8		 3hkuA-4g7aA:
34.26
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.
4hhu OR280

(synthetic
construct) 		no annotation 3 GLU A 164
HIS A 166
THR A  37
 None
 0.89A 3hkuA-4hhuA:
undetectable		 3hkuA-4hhuA:
19.08
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		3 GLU A 554
HIS A 561
THR A 576
 None
 0.89A 3hkuA-4j3bA:
undetectable		 3hkuA-4j3bA:
15.85
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.
4kiw 3-DEHYDROQUINATE
DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF01220
(DHquinase_II) 		3 GLU A  99
HIS A 101
THR A  80
 None
KIW  A 500 (-4.2A)
None
 0.85A 3hkuA-4kiwA:
undetectable		 3hkuA-4kiwA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4knk BIFUNCTIONAL
AUTOLYSIN

(Staphylococcus
aureus) 		PF01510
(Amidase_2) 		3 GLU A 360
HIS A 386
THR A 369
 None
 0.88A 3hkuA-4knkA:
undetectable		 3hkuA-4knkA:
19.85
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.
4kw2 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		3 GLU A  58
HIS A 209
THR A 128
 None
 0.78A 3hkuA-4kw2A:
undetectable		 3hkuA-4kw2A:
22.85
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.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		3 GLU A 292
HIS A 245
THR A 289
 None
 0.89A 3hkuA-4lisA:
undetectable		 3hkuA-4lisA:
21.32
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.
4po6 INTERFERON
ALPHA/BETA RECEPTOR
1
NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 3 GLU B 497
HIS A 474
THR A 477
 None
 0.63A 3hkuA-4po6B:
undetectable		 3hkuA-4po6B:
9.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 301 ( 4.5A)
ZN  A 301 (-3.1A)
ZN  A 301 ( 4.4A)
 0.18A 3hkuA-4qk3A:
44.2		 3hkuA-4qk3A:
95.77
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.
4qpc 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE

(Danio rerio) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		3 GLU A 201
HIS A 125
THR A 199
 None
 0.75A 3hkuA-4qpcA:
undetectable		 3hkuA-4qpcA:
23.15
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.
4reu FERRITIN

(Escherichia
coli) 		PF00210
(Ferritin) 		3 GLU A  49
HIS A  46
THR A 163
 None
 0.84A 3hkuA-4reuA:
undetectable		 3hkuA-4reuA:
17.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		3 GLU A 118
HIS A 131
THR A 198
 AZM  A 299 ( 4.4A)
ZN  A 298 ( 3.2A)
AZM  A 299 (-3.3A)
 0.10A 3hkuA-4uovA:
31.1		 3hkuA-4uovA:
37.06
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 GLU A 236
HIS A 291
THR A 361
 None
 0.60A 3hkuA-4w87A:
undetectable		 3hkuA-4w87A:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		3 GLU A  95
HIS A 108
THR A 174
 AZM  A 302 ( 4.5A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
 0.09A 3hkuA-4x5sA:
29.8		 3hkuA-4x5sA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		3 GLU A 116
HIS A 129
THR A 191
 ZN  A 301 (-4.9A)
ZN  A 301 ( 3.1A)
ZN  A 301 (-4.3A)
 0.36A 3hkuA-4xfwA:
26.4		 3hkuA-4xfwA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		3 GLU A 166
HIS A 179
THR A 254
 2HP  A 402 ( 4.7A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-2.9A)
 0.21A 3hkuA-4xixA:
25.8		 3hkuA-4xixA:
34.20
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		3 GLU A 355
HIS A 362
THR A 377
 None
 0.87A 3hkuA-4xmvA:
undetectable		 3hkuA-4xmvA:
14.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		3 GLU A 171
HIS A 184
THR A 252
 ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.7A)
 0.17A 3hkuA-4xz5A:
29.6		 3hkuA-4xz5A:
32.83
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.
4y4r BIFUNCTIONAL
LYSINE-SPECIFIC
DEMETHYLASE AND
HISTIDYL-HYDROXYLASE
NO66

(Homo sapiens) 		PF08007
(Cupin_4) 		3 GLU A 352
HIS A 414
THR A 244
 None
 0.65A 3hkuA-4y4rA:
undetectable		 3hkuA-4y4rA:
19.29
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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		3 GLU A 158
HIS A 112
THR A 185
 None
 0.84A 3hkuA-4z4lA:
undetectable		 3hkuA-4z4lA:
21.45
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.
5a40 MONOBODIES
PUTATIVE FLUORIDE
ION TRANSPORTER CRCB

(Bordetella
pertussis;
Homo sapiens) 		PF00041
(fn3)
PF02537
(CRCB) 		3 GLU A  88
HIS E  78
THR A  39
 None
 0.85A 3hkuA-5a40A:
undetectable		 3hkuA-5a40A:
21.57
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.
5akr COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 GLU A 180
HIS A 245
THR A 252
 None
 0.80A 3hkuA-5akrA:
undetectable		 3hkuA-5akrA:
23.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
 0.10A 3hkuA-5cjfA:
36.9		 3hkuA-5cjfA:
36.80
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		3 GLU A 364
HIS A 371
THR A 386
 None
 0.89A 3hkuA-5dllA:
undetectable		 3hkuA-5dllA:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		3 GLU X 105
HIS X 118
THR X 197
 ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
ZN  X 301 ( 4.4A)
 0.20A 3hkuA-5eztX:
44.0		 3hkuA-5eztX:
80.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		3 GLU A 240
HIS A 378
THR A 280
 ZN  A 603 (-1.8A)
None
ZN  A 603 ( 2.7A)
 0.82A 3hkuA-5fgnA:
undetectable		 3hkuA-5fgnA:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		3 GLU A 102
HIS A 115
THR A 182
 ZN  A 301 ( 4.6A)
ZN  A 301 (-3.1A)
ZN  A 301 ( 4.4A)
 0.22A 3hkuA-5hpjA:
29.2		 3hkuA-5hpjA:
35.45
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.
5ik8 LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		3 GLU A2987
HIS A2996
THR A3075
 None
 0.80A 3hkuA-5ik8A:
undetectable		 3hkuA-5ik8A:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
HIS A 119
THR A 199
 ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-3.4A)
 0.09A 3hkuA-5jn9A:
33.2		 3hkuA-5jn9A:
35.42
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		3 GLU A 142
HIS A 284
THR A 163
 None
 0.79A 3hkuA-5lunA:
undetectable		 3hkuA-5lunA:
19.83
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.
5nuq PROBABLE
PHOSPHOLIPID-BINDING
LIPOPROTEIN MLAA

(Serratia
marcescens) 		no annotation 3 GLU G 145
HIS G 205
THR G 141
 None
 0.88A 3hkuA-5nuqG:
undetectable		 3hkuA-5nuqG:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t2u OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		3 GLU A 155
HIS A 138
THR A 230
 None
 0.56A 3hkuA-5t2uA:
undetectable		 3hkuA-5t2uA:
23.32
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 3 GLU A 958
HIS A 975
THR A 575
 None
A  B  10 ( 4.5A)
None
 0.89A 3hkuA-5u30A:
undetectable		 3hkuA-5u30A:
12.41
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 GLU A 474
HIS A 472
THR A 443
 None
 0.72A 3hkuA-5ubkA:
undetectable		 3hkuA-5ubkA:
17.67
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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		3 GLU A 172
HIS A  13
THR A 193
 None
ZN  A 402 (-3.3A)
None
 0.89A 3hkuA-5vgmA:
undetectable		 3hkuA-5vgmA:
21.21
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 3 GLU A 317
HIS A 304
THR A 268
 None
 0.73A 3hkuA-6chdA:
undetectable		 3hkuA-6chdA:
18.18
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.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 3 GLU A  74
HIS A 171
THR A 175
 None
 0.80A 3hkuA-6cn0A:
undetectable		 3hkuA-6cn0A:
16.54
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.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 3 GLU A 177
HIS A  17
THR A 198
 None
ZN  A 402 (-3.4A)
None
 0.89A 3hkuA-6ctyA:
undetectable		 3hkuA-6ctyA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 3 GLU A 123
HIS A 136
THR A 202
 ZN  A 301 ( 4.7A)
ZN  A 301 (-3.2A)
ZN  A 301 (-4.4A)
 0.20A 3hkuA-6ekiA:
29.7		 3hkuA-6ekiA:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 3 GLU A 106
HIS A 119
THR A 199
 V14  A 302 (-4.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.2A)
 0.22A 3hkuA-6fe1A:
34.0		 3hkuA-6fe1A:
14.90