SIMILAR PATTERNS OF AMINO ACIDS FOR 3HKU_A_TORA300_1

List of similar pattern of amino acids derived from ASSAM search

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

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