SIMILAR PATTERNS OF AMINO ACIDS FOR 3CAJ_A_EZLA265_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
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 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
None
 0.34A 3cajA-1jd0A:
36.4		 3cajA-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 HIS A  94
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-3.6A)
None
None
 1.28A 3cajA-1jd0A:
36.4		 3cajA-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 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 901 ( 3.2A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 0.90A 3cajA-1jd0A:
36.4		 3cajA-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) 		9 HIS A  92
HIS A  94
HIS A 111
VAL A 113
LEU A 176
THR A 177
THR A 178
PRO A 180
TRP A 187
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.39A 3cajA-1kopA:
29.6		 3cajA-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 HIS A  94
VAL A 123
LEU A 176
THR A 178
PRO A 180
 ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
None
 1.10A 3cajA-1kopA:
29.6		 3cajA-1kopA:
33.83
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 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
None
 0.40A 3cajA-1rj6A:
37.1		 3cajA-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 HIS A  94
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 601 ( 3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.6A)
None
None
 1.30A 3cajA-1rj6A:
37.1		 3cajA-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 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 601 (-3.3A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 0.99A 3cajA-1rj6A:
37.1		 3cajA-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) 		7 HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
PRO A 201
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
None
 1.27A 3cajA-1urtA:
36.7		 3cajA-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) 		9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
None
None
 0.40A 3cajA-1urtA:
36.7		 3cajA-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 HIS A  94
HIS A 119
LEU A 198
THR A 200
PRO A 202
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
None
 1.50A 3cajA-1urtA:
36.7		 3cajA-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 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
None
 0.90A 3cajA-1urtA:
36.7		 3cajA-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 HIS A 115
HIS A 117
HIS A 135
VAL A 137
LEU A 216
THR A 217
THR A 218
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.27A 3cajA-1y7wA:
26.2		 3cajA-1y7wA:
32.05
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) 		5 HIS A 117
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.91A 3cajA-1y7wA:
26.2		 3cajA-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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 VAL A 456
PHE A 292
LEU A 482
THR A 479
THR A 478
 None
None
None
FAD  A 750 (-3.1A)
FAD  A 750 (-3.4A)
 0.90A 3cajA-2bf4A:
undetectable		 3cajA-2bf4A:
18.80
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.
2gy5 ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF10430
(Ig_Tie2_1) 		5 VAL A 278
LEU A 129
THR A 130
THR A 128
PRO A 126
 None
 1.26A 3cajA-2gy5A:
undetectable		 3cajA-2gy5A:
20.14
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  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
PRO A 202
TRP A 209
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
None
 0.26A 3cajA-2it4A:
40.6		 3cajA-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  94
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.6A)
None
None
 1.27A 3cajA-2it4A:
40.6		 3cajA-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
LEU A 198
THR A 199
TRP A 209
 ZN  A 561 ( 3.2A)
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 1.06A 3cajA-2it4A:
40.6		 3cajA-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
VAL A 143
LEU A 198
THR A 199
PRO A 202
 ZN  A 561 ( 3.2A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.90A 3cajA-2it4A:
40.6		 3cajA-2it4A:
60.55
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
HIS A 141
LEU A 222
THR A 223
PRO A 226
TRP A 233
 CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
None
 0.25A 3cajA-2w2jA:
37.6		 3cajA-2w2jA:
39.19
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
HIS A 141
LEU A 222
THR A 223
PRO A 226
TRP A 233
 CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
None
 1.47A 3cajA-2w2jA:
37.6		 3cajA-2w2jA:
39.19
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) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
ZN  A   1 ( 4.7A)
None
None
 0.27A 3cajA-2zncA:
31.9		 3cajA-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 119
THR A 199
PRO A 201
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
ZN  A   1 ( 4.7A)
None
None
 1.25A 3cajA-2zncA:
31.9		 3cajA-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  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 0.79A 3cajA-2zncA:
31.9		 3cajA-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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		9 HIS A 163
HIS A 165
HIS A 182
VAL A 184
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
None
None
None
 0.35A 3cajA-3b1bA:
25.3		 3cajA-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) 		7 HIS A 163
HIS A 182
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.1A)
None
ZN  A 378 ( 4.5A)
None
None
None
 1.44A 3cajA-3b1bA:
25.3		 3cajA-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) 		6 HIS A 165
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
 ZN  A 378 (-3.3A)
None
None
ZN  A 378 ( 4.5A)
None
None
 1.10A 3cajA-3b1bA:
25.3		 3cajA-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) 		9 HIS A  95
HIS A  97
HIS A 120
VAL A 122
PHE A 132
LEU A 199
THR A 200
PRO A 203
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.9A)
None
 0.48A 3cajA-3da2A:
42.0		 3cajA-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) 		5 HIS A  95
HIS A  97
VAL A 144
LEU A 199
PRO A 203
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 ( 4.9A)
 1.27A 3cajA-3da2A:
42.0		 3cajA-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) 		7 HIS A 111
HIS A 113
HIS A 138
VAL A 140
LEU A 219
THR A 220
TRP A 230
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.69A 3cajA-3fe4A:
31.0		 3cajA-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 138
VAL A 140
LEU A 219
THR A 220
PRO A 223
TRP A 230
 MG  A 901 (-3.2A)
None
None
None
None
None
 0.72A 3cajA-3fe4A:
31.0		 3cajA-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) 		5 LEU A 219
THR A 220
THR A 221
PRO A 223
TRP A 230
 None
 0.49A 3cajA-3fe4A:
31.0		 3cajA-3fe4A:
34.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 129
LEU A 235
THR A 236
PRO A 239
TRP A 246
 None
 0.32A 3cajA-3jxfA:
33.6		 3cajA-3jxfA:
30.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 129
PHE A 166
LEU A 235
THR A 236
PRO A 239
 None
 0.90A 3cajA-3jxfA:
33.6		 3cajA-3jxfA:
30.07
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 HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 131
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
None
 0.24A 3cajA-3ml5A:
43.2		 3cajA-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 HIS A  94
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-3.4A)
None
None
 1.28A 3cajA-3ml5A:
43.2		 3cajA-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 HIS A  96
HIS A 119
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
None
 1.47A 3cajA-3ml5A:
43.2		 3cajA-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) 		6 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 263 ( 3.2A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.86A 3cajA-3ml5A:
43.2		 3cajA-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) 		6 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 263 ( 3.1A)
ZN  A 263 ( 3.2A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.39A 3cajA-3ml5A:
43.2		 3cajA-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) 		9 HIS A 123
HIS A 125
HIS A 142
VAL A 144
LEU A 214
THR A 215
THR A 216
PRO A 218
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
None
MLT  A   3 (-4.9A)
 0.43A 3cajA-3q31A:
24.7		 3cajA-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) 		6 HIS A 123
HIS A 142
LEU A 214
THR A 216
PRO A 218
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-2.8A)
None
MLT  A   3 (-4.9A)
 1.41A 3cajA-3q31A:
24.7		 3cajA-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 123
HIS A 142
THR A 215
PRO A 217
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
None
MLT  A   3 (-4.9A)
 1.27A 3cajA-3q31A:
24.7		 3cajA-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 125
VAL A 154
LEU A 214
THR A 215
THR A 216
 ZN  A   1 (-3.3A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.88A 3cajA-3q31A:
24.7		 3cajA-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) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 130
THR A 198
THR A 199
PRO A 201
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
None
 0.49A 3cajA-3uyqA:
40.7		 3cajA-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) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 130
THR A 198
THR A 199
TRP A 208
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
None
 0.35A 3cajA-3uyqA:
40.7		 3cajA-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) 		5 HIS A  94
HIS A  96
VAL A 121
PHE A 130
THR A 199
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
None
 1.31A 3cajA-3uyqA:
40.7		 3cajA-3uyqA:
58.85
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 HIS A  89
HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
None
 0.28A 3cajA-4g7aA:
29.9		 3cajA-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 HIS A  89
HIS A 108
LEU A 173
THR A 175
PRO A 177
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
None
 1.49A 3cajA-4g7aA:
29.9		 3cajA-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 HIS A  89
HIS A 108
THR A 174
PRO A 176
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.4A)
None
None
 1.29A 3cajA-4g7aA:
29.9		 3cajA-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 HIS A  91
VAL A 120
LEU A 173
THR A 174
THR A 175
PRO A 177
 ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 0.98A 3cajA-4g7aA:
29.9		 3cajA-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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 HIS A 120
HIS A  48
HIS A 234
PHE A 216
TRP A 148
 None
 0.81A 3cajA-4jqsA:
undetectable		 3cajA-4jqsA:
21.74
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) 		10 HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 131
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.19A 3cajA-4qk3A:
44.3		 3cajA-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 HIS A  94
HIS A  96
VAL A 121
PHE A 131
LEU A 198
THR A 199
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
 1.49A 3cajA-4qk3A:
44.3		 3cajA-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) 		7 HIS A  94
HIS A 119
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
None
None
 1.39A 3cajA-4qk3A:
44.3		 3cajA-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 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
None
 0.95A 3cajA-4qk3A:
44.3		 3cajA-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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
VAL A 116
THR A 183
PRO A 186
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 (-4.2A)
ASC  A 303 (-3.4A)
None
ASC  A 303 (-4.3A)
 0.28A 3cajA-4twlA:
28.6		 3cajA-4twlA:
29.89
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 HIS A 112
HIS A 114
HIS A 131
VAL A 133
LEU A 197
THR A 198
THR A 199
PRO A 201
TRP A 208
 ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
None
 0.44A 3cajA-4uovA:
31.1		 3cajA-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 HIS A 114
VAL A 143
LEU A 197
THR A 198
THR A 199
PRO A 201
 ZN  A 298 ( 3.2A)
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 1.10A 3cajA-4uovA:
31.1		 3cajA-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) 		9 HIS A  89
HIS A  91
HIS A 108
VAL A 110
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
None
 0.31A 3cajA-4x5sA:
30.0		 3cajA-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) 		7 HIS A  89
HIS A  91
VAL A 120
LEU A 173
THR A 174
THR A 175
PRO A 177
 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)
AZM  A 302 (-3.3A)
None
 1.08A 3cajA-4x5sA:
30.0		 3cajA-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) 		7 HIS A  89
HIS A 108
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
None
 1.43A 3cajA-4x5sA:
30.0		 3cajA-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) 		5 HIS A  89
HIS A 108
THR A 174
PRO A 176
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
None
None
 1.28A 3cajA-4x5sA:
30.0		 3cajA-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 HIS A  91
HIS A  89
LEU A 173
THR A 174
THR A 175
PRO A 177
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
 1.47A 3cajA-4x5sA:
30.0		 3cajA-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) 		8 HIS A 110
HIS A 112
HIS A 129
VAL A 131
LEU A 190
THR A 191
PRO A 194
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
None
None
 0.39A 3cajA-4xfwA:
26.6		 3cajA-4xfwA:
30.58
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) 		5 HIS A 112
VAL A 141
LEU A 190
THR A 191
PRO A 194
 ZN  A 301 (-3.4A)
None
None
ZN  A 301 (-4.3A)
None
 0.88A 3cajA-4xfwA:
26.6		 3cajA-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) 		9 HIS A 160
HIS A 162
HIS A 179
VAL A 181
LEU A 253
THR A 254
THR A 255
PRO A 257
TRP A 264
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
None
 0.38A 3cajA-4xixA:
26.0		 3cajA-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 HIS A 160
HIS A 179
THR A 254
PRO A 256
TRP A 264
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-2.9A)
None
None
 1.26A 3cajA-4xixA:
26.0		 3cajA-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) 		6 HIS A 162
VAL A 192
LEU A 253
THR A 254
THR A 255
PRO A 257
 ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
 1.12A 3cajA-4xixA:
26.0		 3cajA-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) 		9 HIS A 165
HIS A 167
HIS A 184
VAL A 186
LEU A 251
THR A 252
THR A 253
PRO A 255
TRP A 262
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
None
 0.36A 3cajA-4xz5A:
29.7		 3cajA-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 HIS A 165
HIS A 184
THR A 252
PRO A 254
TRP A 262
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.7A)
None
None
 1.27A 3cajA-4xz5A:
29.7		 3cajA-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 HIS A 167
VAL A 196
LEU A 251
THR A 252
THR A 253
PRO A 255
 ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 1.01A 3cajA-4xz5A:
29.7		 3cajA-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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 HIS A 285
HIS A 321
HIS A 287
PHE A 228
THR A 391
 KCX  A 191 ( 3.7A)
KCX  A 191 ( 3.5A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 4.5A)
KCX  A 191 ( 2.9A)
 1.22A 3cajA-5c2cA:
undetectable		 3cajA-5c2cA:
19.11
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 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
None
 0.39A 3cajA-5cjfA:
36.6		 3cajA-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 HIS A  94
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
None
None
 1.29A 3cajA-5cjfA:
36.6		 3cajA-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 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 0.90A 3cajA-5cjfA:
36.6		 3cajA-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) 		6 HIS A 151
LEU A 256
THR A 257
THR A 258
PRO A 260
TRP A 267
 None
 0.39A 3cajA-5e5uA:
34.3		 3cajA-5e5uA:
31.39
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
PHE A 187
LEU A 256
THR A 257
THR A 258
TRP A 267
 None
 0.76A 3cajA-5e5uA:
34.3		 3cajA-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) 		10 HIS X  93
HIS X  95
HIS X 118
VAL X 120
PHE X 129
LEU X 196
THR X 197
THR X 198
PRO X 200
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
None
None
 0.21A 3cajA-5eztX:
44.1		 3cajA-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  93
HIS X 118
THR X 197
PRO X 199
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
ZN  X 301 ( 4.4A)
None
None
 1.31A 3cajA-5eztX:
44.1		 3cajA-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) 		6 HIS X  93
HIS X 118
THR X 197
THR X 198
PRO X 200
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
ZN  X 301 ( 4.4A)
None
None
None
 1.48A 3cajA-5eztX:
44.1		 3cajA-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) 		6 HIS X  95
VAL X 141
LEU X 196
THR X 197
THR X 198
PRO X 200
 ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
None
None
 0.94A 3cajA-5eztX:
44.1		 3cajA-5eztX:
80.16
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 HIS A  96
HIS A  98
HIS A 115
VAL A 117
LEU A 181
THR A 182
THR A 183
PRO A 185
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.35A 3cajA-5hpjA:
29.4		 3cajA-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 HIS A  96
HIS A 115
THR A 182
PRO A 184
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 301 ( 4.4A)
None
None
 1.30A 3cajA-5hpjA:
29.4		 3cajA-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 HIS A  98
VAL A 127
LEU A 181
THR A 183
PRO A 185
 ZN  A 301 (-3.2A)
None
None
None
None
 0.91A 3cajA-5hpjA:
29.4		 3cajA-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 HIS A 115
HIS A  96
HIS A  98
PHE A 177
THR A 183
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
 1.30A 3cajA-5hpjA:
29.4		 3cajA-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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		5 HIS A 218
HIS A 167
HIS A 284
PHE A 310
THR A 121
 FE  A 501 (-3.2A)
FE  A 501 (-3.3A)
FE  A 501 ( 3.3A)
None
V55  A 503 ( 3.3A)
 1.31A 3cajA-5j55A:
undetectable		 3cajA-5j55A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		5 HIS A 218
HIS A 167
LEU A 475
THR A 121
PRO A  45
 FE  A 501 (-3.2A)
FE  A 501 (-3.3A)
V55  A 503 ( 3.3A)
V55  A 503 ( 3.3A)
V55  A 503 ( 4.8A)
 1.31A 3cajA-5j55A:
undetectable		 3cajA-5j55A:
19.39
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) 		8 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
TRP A 209
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.23A 3cajA-5jn9A:
33.3		 3cajA-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 HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 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)
EZL  A 302 (-3.9A)
 1.08A 3cajA-5jn9A:
33.3		 3cajA-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 HIS A  94
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-3.4A)
None
None
 1.30A 3cajA-5jn9A:
33.3		 3cajA-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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		5 HIS A 238
HIS A 183
HIS A 304
THR A 136
PRO A  55
 FE2  A 502 (-4.5A)
FE2  A 502 (-4.0A)
FE2  A 502 (-3.8A)
None
None
 1.21A 3cajA-5kjaA:
undetectable		 3cajA-5kjaA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		5 HIS A 248
HIS A 197
HIS A 313
THR A 151
PRO A  77
 FE2  A 601 ( 3.4A)
FE2  A 601 (-3.3A)
FE2  A 601 ( 3.4A)
83D  A 602 (-3.5A)
None
 1.31A 3cajA-5u8zA:
undetectable		 3cajA-5u8zA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 HIS A 219
HIS A 168
HIS A 284
PHE A 309
THR A 122
 FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
None
None
 1.18A 3cajA-5v2dA:
undetectable		 3cajA-5v2dA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 9 HIS A 117
HIS A 119
HIS A 136
VAL A 138
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
None
None
None
 0.25A 3cajA-6ekiA:
29.9		 3cajA-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 HIS A 119
VAL A 148
LEU A 201
THR A 203
PRO A 205
 ZN  A 301 (-3.3A)
None
None
None
None
 0.96A 3cajA-6ekiA:
29.9		 3cajA-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 6 HIS A  94
HIS A  96
HIS A 119
THR A 199
PRO A 201
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.2A)
None
None
 1.18A 3cajA-6fe1A:
33.7		 3cajA-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 9 HIS A  94
HIS A  96
HIS A 119
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
None
 0.39A 3cajA-6fe1A:
33.7		 3cajA-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 6 HIS A  94
HIS A 119
LEU A 198
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.6A)
V14  A 302 (-3.5A)
None
None
 1.49A 3cajA-6fe1A:
33.7		 3cajA-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 6 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
 0.85A 3cajA-6fe1A:
33.7		 3cajA-6fe1A:
14.90