SIMILAR PATTERNS OF AMINO ACIDS FOR 4XIW_G_AZMG402_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.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)

(Rhodococcus
jostii) 		PF12697
(Abhydrolase_6) 		5 HIS A 225
VAL A 227
LEU A 132
VAL A 130
LEU A 117
 None
 0.83A 4xiwG-1c4xA:
undetectable		 4xiwG-1c4xA:
24.14
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.
1iah TRANSIENT RECEPTOR
POTENTIAL-RELATED
PROTEIN

(Mus musculus) 		PF02816
(Alpha_kinase) 		5 VAL A1778
LEU A1761
VAL A1763
LEU A1682
THR A1683
 None
 0.88A 4xiwG-1iahA:
undetectable		 4xiwG-1iahA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		12 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 4.5A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
None
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
 0.51A 4xiwG-1jd0A:
25.5		 4xiwG-1jd0A:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
LEU A 198
THR A 200
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
None
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
 1.44A 4xiwG-1jd0A:
25.5		 4xiwG-1jd0A:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 4.5A)
AZM  A1400 ( 4.9A)
None
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 1.20A 4xiwG-1jd0A:
25.5		 4xiwG-1jd0A:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 901 ( 3.1A)
ZN  A 901 ( 3.2A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 1.37A 4xiwG-1jd0A:
25.5		 4xiwG-1jd0A:
29.71
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) 		7 GLN A  69
HIS A  92
HIS A  94
GLU A  98
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.13A 4xiwG-1kopA:
28.0		 4xiwG-1kopA:
38.58
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) 		11 GLN A  90
HIS A  92
HIS A  94
GLU A  98
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
TRP A 187
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.39A 4xiwG-1kopA:
28.0		 4xiwG-1kopA:
38.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 GLN A  67
HIS A  94
HIS A  96
GLU A 106
LEU A 198
THR A 199
THR A 200
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.08A 4xiwG-1rj6A:
26.4		 4xiwG-1rj6A:
29.30
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  67
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
 None
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)
 1.29A 4xiwG-1rj6A:
26.4		 4xiwG-1rj6A:
29.30
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		12 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 0.39A 4xiwG-1rj6A:
26.4		 4xiwG-1rj6A:
29.30
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
HIS A  96
LEU A 141
VAL A 121
LEU A 198
THR A 200
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
None
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.40A 4xiwG-1rj6A:
26.4		 4xiwG-1rj6A:
29.30
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
None
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.18A 4xiwG-1rj6A:
26.4		 4xiwG-1rj6A:
29.30
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
GLU A 117
VAL A 121
LEU A 141
VAL A 143
TRP A 209
 None
 1.48A 4xiwG-1urtA:
24.5		 4xiwG-1urtA:
35.59
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) 		12 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.7A)
ZN  A 280 (-3.2A)
None
None
None
None
ZN  A 280 ( 4.9A)
None
None
 0.48A 4xiwG-1urtA:
24.5		 4xiwG-1urtA:
35.59
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) 		8 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
None
ZN  A 280 ( 4.9A)
 1.28A 4xiwG-1urtA:
24.5		 4xiwG-1urtA:
35.59
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) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 280 (-3.2A)
ZN  A 280 ( 4.7A)
None
None
None
ZN  A 280 ( 4.9A)
None
 1.18A 4xiwG-1urtA:
24.5		 4xiwG-1urtA:
35.59
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) 		7 HIS A 119
HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
 1.47A 4xiwG-1urtA:
24.5		 4xiwG-1urtA:
35.59
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) 		6 GLN A 113
GLU A 133
VAL A 137
LEU A 151
VAL A 153
TRP A 227
 None
None
ACY  A 279 ( 4.7A)
None
None
None
 1.39A 4xiwG-1y7wA:
23.1		 4xiwG-1y7wA:
31.13
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) 		12 GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 151
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.40A 4xiwG-1y7wA:
23.1		 4xiwG-1y7wA:
31.13
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) 		7 HIS A 117
GLU A 122
VAL A 153
LEU A 151
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 1.19A 4xiwG-1y7wA:
23.1		 4xiwG-1y7wA:
31.13
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.
1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001

(Pyrococcus
furiosus) 		PF01928
(CYTH) 		5 VAL A 124
LEU A 112
VAL A 114
LEU A  18
THR A  17
 None
 0.86A 4xiwG-1yemA:
undetectable		 4xiwG-1yemA:
19.50
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) 		10 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
LEU A 141
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 4.9A)
ZN  A 561 ( 3.1A)
None
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.65A 4xiwG-2it4A:
26.0		 4xiwG-2it4A:
32.58
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) 		7 HIS A  96
GLU A 106
HIS A 119
VAL A 143
LEU A 141
LEU A 198
THR A 199
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 4.9A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 1.17A 4xiwG-2it4A:
26.0		 4xiwG-2it4A:
32.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pej ORF134

(Synechococcus
sp. PCC 7002) 		PF02341
(RcbX) 		5 VAL A  90
LEU A  86
LEU A  14
THR A  10
THR A  13
 None
 0.93A 4xiwG-2pejA:
undetectable		 4xiwG-2pejA:
19.17
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) 		6 HIS A 118
GLU A 128
HIS A 141
LEU A 222
THR A 223
TRP A 233
 CL  A 401 (-4.2A)
None
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
 0.45A 4xiwG-2w2jA:
25.4		 4xiwG-2w2jA:
30.90
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) 		11 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 4.8A)
ZN  A   1 ( 3.2A)
None
None
None
ZN  A   1 ( 4.7A)
None
None
 0.42A 4xiwG-2zncA:
25.5		 4xiwG-2zncA:
34.20
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)
 1.45A 4xiwG-2zncA:
25.5		 4xiwG-2zncA:
34.20
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 HIS A  94
HIS A 119
VAL A 143
LEU A 198
THR A 200
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
None
None
 1.48A 4xiwG-2zncA:
25.5		 4xiwG-2zncA:
34.20
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 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 4.8A)
None
None
ZN  A   1 ( 4.7A)
None
 0.91A 4xiwG-2zncA:
25.5		 4xiwG-2zncA:
34.20
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 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 1.29A 4xiwG-2zncA:
25.5		 4xiwG-2zncA:
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 GLN A 115
HIS A 163
HIS A 165
GLU A 169
HIS A 182
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
None
 1.09A 4xiwG-3b1bA:
26.2		 4xiwG-3b1bA:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		11 GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
None
None
None
ZN  A 378 ( 4.5A)
None
None
 0.37A 4xiwG-3b1bA:
26.2		 4xiwG-3b1bA:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 HIS A 163
HIS A 165
HIS A 182
LEU A 268
VAL A 201
LEU A 259
THR A 261
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
None
None
 1.35A 4xiwG-3b1bA:
26.2		 4xiwG-3b1bA:
25.52
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) 		6 GLN A  93
HIS A  95
HIS A  97
LEU A 142
LEU A 199
THR A 200
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
None
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 1.01A 4xiwG-3da2A:
25.5		 4xiwG-3da2A:
30.74
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) 		10 HIS A  95
HIS A  97
GLU A 107
HIS A 120
VAL A 122
LEU A 142
VAL A 144
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
None
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.50A 4xiwG-3da2A:
25.5		 4xiwG-3da2A:
30.74
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) 		6 HIS A  97
GLU A 107
LEU A 142
VAL A 122
LEU A 199
THR A 200
 ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
None
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 1.35A 4xiwG-3da2A:
25.5		 4xiwG-3da2A:
30.74
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) 		11 GLN A 109
HIS A 111
HIS A 113
GLU A 125
HIS A 138
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
TRP A 230
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 ( 4.4A)
MG  A 901 (-3.2A)
None
None
None
None
None
None
 0.69A 4xiwG-3fe4A:
24.2		 4xiwG-3fe4A:
32.30
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) 		7 HIS A 111
HIS A 113
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
None
 1.32A 4xiwG-3fe4A:
24.2		 4xiwG-3fe4A:
32.30
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.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 129
GLU A 141
LEU A 176
LEU A 235
THR A 236
TRP A 246
 None
 0.62A 4xiwG-3jxfA:
25.1		 4xiwG-3jxfA:
26.24
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 GLN A  67
HIS A  96
GLU A 106
VAL A 121
THR A 199
THR A 200
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.14A 4xiwG-3ml5A:
25.6		 4xiwG-3ml5A:
34.91
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 GLN A  92
GLU A 117
VAL A 121
LEU A 141
VAL A 143
TRP A 209
 AZM  A 264 (-4.1A)
None
AZM  A 264 (-4.7A)
None
AZM  A 264 ( 4.9A)
None
 1.47A 4xiwG-3ml5A:
25.6		 4xiwG-3ml5A:
34.91
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) 		12 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
None
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.46A 4xiwG-3ml5A:
25.6		 4xiwG-3ml5A:
34.91
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 HIS A  96
GLU A 106
LEU A 141
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
None
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.41A 4xiwG-3ml5A:
25.6		 4xiwG-3ml5A:
34.91
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 102
HIS A 123
HIS A 125
GLU A 129
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.19A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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 102
HIS A 123
HIS A 125
VAL A 144
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.19A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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) 		11 GLN A 121
HIS A 123
HIS A 125
GLU A 129
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 0.48A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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)
 1.40A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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 HIS A 123
HIS A 125
VAL A 144
LEU A 214
THR A 215
THR A 216
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.22A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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 HIS A 123
HIS A 142
VAL A 154
LEU A 214
THR A 216
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 1.46A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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 HIS A 125
GLU A 129
VAL A 154
LEU A 214
THR A 215
THR A 216
 ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.97A 4xiwG-3q31A:
23.2		 4xiwG-3q31A:
32.09
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) 		10 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 142
THR A 198
THR A 199
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
None
 0.52A 4xiwG-3uyqA:
25.8		 4xiwG-3uyqA:
31.05
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)
 1.19A 4xiwG-3uyqA:
25.8		 4xiwG-3uyqA:
31.05
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) 		5 HIS A  96
GLU A 106
VAL A 142
THR A 198
THR A 199
 ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
None
ZN  A 261 ( 4.4A)
None
 0.84A 4xiwG-3uyqA:
25.8		 4xiwG-3uyqA:
31.05
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.
3von UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
2

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLU B  18
VAL B  80
LEU B  65
VAL B  67
LEU B 119
 None
 0.91A 4xiwG-3vonB:
undetectable		 4xiwG-3vonB:
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.
4fwv TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF13654
(AAA_32) 		5 HIS A 303
VAL A  88
LEU A 347
VAL A 349
LEU A 281
 None
 0.95A 4xiwG-4fwvA:
undetectable		 4xiwG-4fwvA:
22.19
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) 		11 GLN A  87
HIS A  89
HIS A  91
GLU A  95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.6A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 0.36A 4xiwG-4g7aA:
27.9		 4xiwG-4g7aA:
32.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gpr UBIQUITIN-CONJUGATIN
G ENZYME FAMILY
PROTEIN

(Entamoeba
histolytica) 		PF00179
(UQ_con) 		5 GLU A   9
VAL A  67
LEU A  52
VAL A  54
LEU A 103
 None
 0.85A 4xiwG-4gprA:
undetectable		 4xiwG-4gprA:
22.57
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 HIS A 120
HIS A  48
GLU A  45
HIS A 234
TRP A 148
 None
 0.86A 4xiwG-4jqsA:
undetectable		 4xiwG-4jqsA:
22.79
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 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
ZN  A 301 (-3.1A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.37A 4xiwG-4qk3A:
26.8		 4xiwG-4qk3A:
34.85
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) 		7 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.38A 4xiwG-4qk3A:
26.8		 4xiwG-4qk3A:
34.85
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) 		7 HIS A  94
HIS A  96
GLU A 106
LEU A 141
VAL A 121
LEU A 198
THR A 200
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
None
None
None
None
 1.46A 4xiwG-4qk3A:
26.8		 4xiwG-4qk3A:
34.85
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 HIS A  94
HIS A 119
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
None
 1.47A 4xiwG-4qk3A:
26.8		 4xiwG-4qk3A:
34.85
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) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
None
None
None
ZN  A 301 ( 4.4A)
None
 1.13A 4xiwG-4qk3A:
26.8		 4xiwG-4qk3A:
34.85
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 HIS A 119
HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 200
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
None
None
 1.45A 4xiwG-4qk3A:
26.8		 4xiwG-4qk3A:
34.85
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.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		5 VAL A 268
LEU A 413
VAL A 415
LEU A 234
THR A 226
 None
 0.68A 4xiwG-4rulA:
undetectable		 4xiwG-4rulA:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		6 HIS A  97
GLU A 101
VAL A 116
VAL A 126
THR A 183
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
ASC  A 303 (-4.3A)
 0.45A 4xiwG-4twlA:
25.9		 4xiwG-4twlA:
34.50
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) 		11 GLN A 110
HIS A 112
HIS A 114
GLU A 118
HIS A 131
VAL A 133
VAL A 143
LEU A 197
THR A 198
THR A 199
TRP A 208
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
AZM  A 299 ( 4.4A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 0.40A 4xiwG-4uovA:
28.7		 4xiwG-4uovA:
37.74
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) 		7 GLN A  67
HIS A  91
GLU A  95
VAL A 110
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.5A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 1.29A 4xiwG-4x5sA:
29.0		 4xiwG-4x5sA:
37.25
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) 		11 GLN A  87
HIS A  89
HIS A  91
GLU A  95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.5A)
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)
AZM  A 302 (-3.3A)
None
 0.39A 4xiwG-4x5sA:
29.0		 4xiwG-4x5sA:
37.25
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 HIS A  91
HIS A  89
VAL A 110
LEU A 173
THR A 174
THR A 175
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 1.38A 4xiwG-4x5sA:
29.0		 4xiwG-4x5sA:
37.25
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) 		10 HIS A 110
HIS A 112
GLU A 116
HIS A 129
VAL A 131
LEU A 139
VAL A 141
LEU A 190
THR A 191
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 (-4.9A)
ZN  A 301 ( 3.1A)
None
None
None
None
ZN  A 301 (-4.3A)
None
 0.63A 4xiwG-4xfwA:
25.5		 4xiwG-4xfwA:
33.33
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 112
GLU A 116
LEU A 139
VAL A 131
LEU A 190
THR A 191
 ZN  A 301 (-3.4A)
ZN  A 301 (-4.9A)
None
None
None
ZN  A 301 (-4.3A)
 1.50A 4xiwG-4xfwA:
25.5		 4xiwG-4xfwA:
33.33
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
LEU A 253
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 0.96A 4xiwG-4xixA:
40.4		 4xiwG-4xixA:
100.00
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) 		12 GLN A 158
HIS A 160
HIS A 162
GLU A 166
HIS A 179
VAL A 181
LEU A 190
VAL A 192
LEU A 253
THR A 254
THR A 255
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 ( 4.7A)
ZN  A 401 ( 3.1A)
None
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
 0.36A 4xiwG-4xixA:
40.4		 4xiwG-4xixA:
100.00
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) 		6 HIS A 160
HIS A 162
LEU A 190
VAL A 181
LEU A 253
THR A 255
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.28A 4xiwG-4xixA:
40.4		 4xiwG-4xixA:
100.00
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) 		6 HIS A 162
GLU A 166
VAL A 192
LEU A 253
THR A 254
THR A 255
 ZN  A 401 ( 3.2A)
2HP  A 402 ( 4.7A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 1.07A 4xiwG-4xixA:
40.4		 4xiwG-4xixA:
100.00
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
GLU A 182
VAL A 186
LEU A 194
VAL A 196
TRP A 262
 None
 1.34A 4xiwG-4xz5A:
28.6		 4xiwG-4xz5A:
40.80
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) 		12 GLN A 163
HIS A 165
HIS A 167
GLU A 171
HIS A 184
VAL A 186
LEU A 194
VAL A 196
LEU A 251
THR A 252
THR A 253
TRP A 262
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
None
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 0.42A 4xiwG-4xz5A:
28.6		 4xiwG-4xz5A:
40.80
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) 		8 HIS A 167
GLU A 171
HIS A 184
VAL A 196
LEU A 194
LEU A 251
THR A 252
THR A 253
 ZN  A 401 ( 3.3A)
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 1.15A 4xiwG-4xz5A:
28.6		 4xiwG-4xz5A:
40.80
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) 		6 GLN A  92
GLU A 117
VAL A 121
LEU A 141
VAL A 143
TRP A 209
 GOL  A 303 (-3.2A)
None
520  A 302 ( 4.9A)
None
520  A 302 ( 4.9A)
None
 1.40A 4xiwG-5cjfA:
26.2		 4xiwG-5cjfA:
30.34
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) 		12 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
None
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
 0.39A 4xiwG-5cjfA:
26.2		 4xiwG-5cjfA:
30.34
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) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
520  A 302 ( 4.9A)
None
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 1.20A 4xiwG-5cjfA:
26.2		 4xiwG-5cjfA:
30.34
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) 		6 HIS A 151
GLU A 162
LEU A 256
THR A 257
THR A 258
TRP A 267
 None
 0.50A 4xiwG-5e5uA:
24.8		 4xiwG-5e5uA:
30.07
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		6 GLN A 281
HIS A 278
VAL A 280
LEU A 274
THR A 252
THR A 148
 None
 1.38A 4xiwG-5esrA:
undetectable		 4xiwG-5esrA:
24.53
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) 		6 GLN X  91
GLU X 116
VAL X 120
LEU X 139
VAL X 141
TRP X 207
 None
 1.45A 4xiwG-5eztX:
26.2		 4xiwG-5eztX:
33.83
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) 		12 GLN X  91
HIS X  93
HIS X  95
GLU X 105
HIS X 118
VAL X 120
LEU X 139
VAL X 141
LEU X 196
THR X 197
THR X 198
TRP X 207
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
None
None
None
None
ZN  X 301 ( 4.4A)
None
None
 0.45A 4xiwG-5eztX:
26.2		 4xiwG-5eztX:
33.83
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) 		7 GLN X  91
HIS X  93
HIS X  95
VAL X 120
LEU X 139
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
ZN  X 301 ( 4.4A)
 1.46A 4xiwG-5eztX:
26.2		 4xiwG-5eztX:
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.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		6 HIS A 444
HIS A 398
HIS A 137
VAL A 448
LEU A 146
VAL A 142
 CU  A1463 (-3.0A)
CU  A1463 (-2.9A)
CU  A1463 (-3.3A)
None
None
None
 1.39A 4xiwG-5g3fA:
undetectable		 4xiwG-5g3fA:
22.45
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) 		12 GLN A  94
HIS A  96
HIS A  98
GLU A 102
HIS A 115
VAL A 117
LEU A 125
VAL A 127
LEU A 181
THR A 182
THR A 183
TRP A 192
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.1A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.48A 4xiwG-5hpjA:
27.7		 4xiwG-5hpjA:
36.55
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) 		7 GLN A  94
HIS A  96
HIS A  98
VAL A 117
LEU A 125
LEU A 181
THR A 182
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.39A 4xiwG-5hpjA:
27.7		 4xiwG-5hpjA:
36.55
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) 		7 HIS A  98
GLU A 102
LEU A 125
VAL A 117
LEU A 181
THR A 182
THR A 183
 ZN  A 301 (-3.2A)
ZN  A 301 ( 4.6A)
None
None
None
ZN  A 301 ( 4.4A)
None
 1.28A 4xiwG-5hpjA:
27.7		 4xiwG-5hpjA:
36.55
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) 		11 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.42A 4xiwG-5jn9A:
25.5		 4xiwG-5jn9A:
34.89
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 GLN A 115
GLU A 134
VAL A 138
LEU A 146
VAL A 148
TRP A 212
 None
 1.31A 4xiwG-6ekiA:
28.8		 4xiwG-6ekiA:
16.90
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 12 GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
LEU A 146
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
ZN  A 301 (-3.2A)
None
None
None
None
ZN  A 301 (-4.4A)
None
None
 0.37A 4xiwG-6ekiA:
28.8		 4xiwG-6ekiA:
16.90
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 7 HIS A 119
GLU A 123
LEU A 146
VAL A 138
LEU A 201
THR A 202
THR A 203
 ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
None
None
None
ZN  A 301 (-4.4A)
None
 1.29A 4xiwG-6ekiA:
28.8		 4xiwG-6ekiA:
16.90
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.
6ezy -

(-) 		no annotation 5 VAL A  56
LEU A   3
VAL A   5
LEU A  20
THR A  19
 VAL  A  56 ( 0.6A)
LEU  A   3 ( 0.6A)
VAL  A   5 ( 0.6A)
LEU  A  20 ( 0.6A)
THR  A  19 ( 0.8A)
 0.90A 4xiwG-6ezyA:
undetectable		 4xiwG-6ezyA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 12 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
 0.52A 4xiwG-6fe1A:
26.5		 4xiwG-6fe1A:
17.14
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 HIS A  96
GLU A 106
LEU A 141
VAL A 121
LEU A 198
THR A 200
 ZN  A 301 ( 3.2A)
V14  A 302 (-4.2A)
None
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.5A)
 1.43A 4xiwG-6fe1A:
26.5		 4xiwG-6fe1A:
17.14
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
V14  A 302 (-4.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 1.03A 4xiwG-6fe1A:
26.5		 4xiwG-6fe1A:
17.14