SIMILAR PATTERNS OF AMINO ACIDS FOR 3DCS_A_MZMA263_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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
 0.23A 3dcsA-1jd0A:
36.8		 3dcsA-1jd0A:
36.94
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) 		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)
 1.40A 3dcsA-1jd0A:
36.8		 3dcsA-1jd0A:
36.94
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
HIS A 111
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 0.95A 3dcsA-1kopA:
29.9		 3dcsA-1kopA:
34.21
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 GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
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 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.44A 3dcsA-1kopA:
29.9		 3dcsA-1kopA:
34.21
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 111
HIS A  94
VAL A 123
LEU A 176
THR A 178
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
 1.41A 3dcsA-1kopA:
29.9		 3dcsA-1kopA:
34.21
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) 		8 GLN A  67
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 0.94A 3dcsA-1rj6A:
37.3		 3dcsA-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) 		9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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 ( 3.2A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 0.34A 3dcsA-1rj6A:
37.3		 3dcsA-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) 		6 GLN A  67
HIS A  94
HIS A 119
LEU A 198
THR A 199
THR A 200
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
 1.22A 3dcsA-1urtA:
37.1		 3dcsA-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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
None
 0.42A 3dcsA-1urtA:
37.1		 3dcsA-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 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 1.35A 3dcsA-1urtA:
37.1		 3dcsA-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) 		9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.35A 3dcsA-1y7wA:
26.2		 3dcsA-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)
 0.95A 3dcsA-2bf4A:
undetectable		 3dcsA-2bf4A:
16.45
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
 None
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
 0.40A 3dcsA-2it4A:
40.9		 3dcsA-2it4A:
60.94
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) 		5 HIS A 118
HIS A 141
LEU A 222
THR A 223
TRP A 233
 CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
 0.25A 3dcsA-2w2jA:
37.3		 3dcsA-2w2jA:
39.53
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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 ( 3.2A)
None
None
ZN  A   1 ( 4.7A)
None
None
 0.39A 3dcsA-2zncA:
32.4		 3dcsA-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 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
 1.32A 3dcsA-2zncA:
32.4		 3dcsA-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) 		7 GLN A 115
HIS A 163
HIS A 165
HIS A 182
LEU A 259
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
ZN  A 378 ( 4.5A)
None
 0.94A 3dcsA-3b1bA:
24.9		 3dcsA-3b1bA:
25.70
Potential target for repurposing, i.e. matched protein structure has less than 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 GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
None
None
 0.41A 3dcsA-3b1bA:
24.9		 3dcsA-3b1bA:
25.70
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 GLN A  93
HIS A  95
HIS A  97
HIS A 120
VAL A 122
PHE A 132
LEU A 199
THR A 200
TRP A 210
 4MD  A 401 (-3.1A)
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)
None
 0.69A 3dcsA-3da2A:
42.3		 3dcsA-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) 		8 GLN A 109
HIS A 111
HIS A 113
HIS A 138
VAL A 140
LEU A 219
THR A 220
TRP A 230
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.69A 3dcsA-3fe4A:
31.6		 3dcsA-3fe4A:
35.15
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  67
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
THR A 200
 None
ZN  A 263 ( 3.2A)
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)
 0.93A 3dcsA-3ml5A:
43.0		 3dcsA-3ml5A:
56.34
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 131
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 ( 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
 0.35A 3dcsA-3ml5A:
43.0		 3dcsA-3ml5A:
56.34
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)
 1.45A 3dcsA-3ml5A:
43.0		 3dcsA-3ml5A:
56.34
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 119
HIS A  96
VAL A 143
LEU A 198
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 (-3.5A)
 1.36A 3dcsA-3ml5A:
43.0		 3dcsA-3ml5A:
56.34
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
HIS A 142
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.97A 3dcsA-3q31A:
24.4		 3dcsA-3q31A:
31.05
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 GLN A 121
HIS A 123
HIS A 125
HIS A 142
VAL A 144
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 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 0.47A 3dcsA-3q31A:
24.4		 3dcsA-3q31A:
31.05
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 215
THR A 216
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 1.44A 3dcsA-3q31A:
24.4		 3dcsA-3q31A:
31.05
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)
 0.92A 3dcsA-3q31A:
24.4		 3dcsA-3q31A:
31.05
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)
 1.31A 3dcsA-3q31A:
24.4		 3dcsA-3q31A:
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) 		9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 130
THR A 198
THR A 199
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
None
 0.44A 3dcsA-3uyqA:
41.3		 3dcsA-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 GLN A  92
HIS A  94
HIS A  96
VAL A 121
THR A 198
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
ZN  A 261 ( 4.4A)
 1.25A 3dcsA-3uyqA:
41.3		 3dcsA-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 3dcsA-3uyqA:
41.3		 3dcsA-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 119
HIS A  96
VAL A 142
THR A 198
THR A 199
 ZN  A 261 (-3.2A)
ZN  A 261 (-3.3A)
None
ZN  A 261 ( 4.4A)
None
 1.37A 3dcsA-3uyqA:
41.3		 3dcsA-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) 		7 GLN A  67
HIS A  89
HIS A  91
HIS A 108
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 0.96A 3dcsA-4g7aA:
30.0		 3dcsA-4g7aA:
34.60
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 GLN A  87
HIS A  89
HIS A  91
HIS A 108
VAL A 110
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)
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
 0.35A 3dcsA-4g7aA:
30.0		 3dcsA-4g7aA:
34.60
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 108
HIS A  91
LEU A 173
THR A 174
THR A 175
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 1.48A 3dcsA-4g7aA:
30.0		 3dcsA-4g7aA:
34.60
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 108
HIS A  91
VAL A 120
LEU A 173
THR A 175
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.39A 3dcsA-4g7aA:
30.0		 3dcsA-4g7aA:
34.60
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 GLN A 273
HIS A 284
HIS A 312
HIS A 288
PHE A 340
 None
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
CU  A1002 (-3.2A)
None
 1.50A 3dcsA-4j3qA:
undetectable		 3dcsA-4j3qA:
20.85
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 HIS A 120
HIS A  48
HIS A 234
PHE A 216
TRP A 148
 None
 0.72A 3dcsA-4jqsA:
undetectable		 3dcsA-4jqsA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n40 PROTEIN ECT2

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		5 HIS A 279
VAL A 281
PHE A 250
THR A 262
TRP A 305
 None
 1.44A 3dcsA-4n40A:
undetectable		 3dcsA-4n40A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n7b LYTB

(Plasmodium
falciparum) 		PF02401
(LYTB) 		5 HIS A  76
HIS A 126
HIS A  43
VAL A  42
THR A 167
 SO4  A 402 (-4.4A)
SO4  A 402 (-4.1A)
SO4  A 402 (-3.9A)
None
SO4  A 402 (-3.4A)
 1.33A 3dcsA-4n7bA:
undetectable		 3dcsA-4n7bA:
18.30
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
PHE A 131
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 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
None
 0.35A 3dcsA-4qk3A:
43.8		 3dcsA-4qk3A:
95.00
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
PHE A 131
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)
 1.48A 3dcsA-4qk3A:
43.8		 3dcsA-4qk3A:
95.00
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 3dcsA-4qk3A:
43.8		 3dcsA-4qk3A:
95.00
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
 1.33A 3dcsA-4qk3A:
43.8		 3dcsA-4qk3A:
95.00
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 GLN A 110
HIS A 112
HIS A 114
HIS A 131
VAL A 133
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)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 0.37A 3dcsA-4uovA:
31.4		 3dcsA-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)
 1.48A 3dcsA-4uovA:
31.4		 3dcsA-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) 		7 GLN A  67
HIS A  89
HIS A  91
HIS A 108
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 0.95A 3dcsA-4x5sA:
30.0		 3dcsA-4x5sA:
38.32
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 GLN A  87
HIS A  89
HIS A  91
HIS A 108
VAL A 110
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)
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
 0.35A 3dcsA-4x5sA:
30.0		 3dcsA-4x5sA:
38.32
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  91
VAL A 120
LEU A 173
THR A 175
 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)
 1.11A 3dcsA-4x5sA:
30.0		 3dcsA-4x5sA:
38.32
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) 		7 HIS A 110
HIS A 112
HIS A 129
VAL A 131
LEU A 190
THR A 191
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
 0.40A 3dcsA-4xfwA:
26.6		 3dcsA-4xfwA:
30.96
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) 		7 GLN A 138
HIS A 160
HIS A 162
HIS A 179
LEU A 253
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 0.86A 3dcsA-4xixA:
25.9		 3dcsA-4xixA:
35.19
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 GLN A 158
HIS A 160
HIS A 162
HIS A 179
VAL A 181
LEU A 253
THR A 254
THR A 255
TRP A 264
 None
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
 0.42A 3dcsA-4xixA:
25.9		 3dcsA-4xixA:
35.19
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 179
HIS A 162
VAL A 192
LEU A 253
THR A 255
 ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
 1.42A 3dcsA-4xixA:
25.9		 3dcsA-4xixA:
35.19
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 143
HIS A 165
HIS A 167
HIS A 184
THR A 252
THR A 253
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 1.01A 3dcsA-4xz5A:
29.9		 3dcsA-4xz5A:
33.21
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 GLN A 163
HIS A 165
HIS A 167
HIS A 184
VAL A 186
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 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 0.42A 3dcsA-4xz5A:
29.9		 3dcsA-4xz5A:
33.21
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 167
VAL A 196
LEU A 251
THR A 252
THR A 253
 ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 0.92A 3dcsA-4xz5A:
29.9		 3dcsA-4xz5A:
33.21
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 184
HIS A 167
VAL A 196
LEU A 251
THR A 253
 ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 ( 4.4A)
 1.41A 3dcsA-4xz5A:
29.9		 3dcsA-4xz5A:
33.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 VAL A 508
PHE A 588
LEU A 561
THR A 562
THR A 522
 None
 1.46A 3dcsA-5a42A:
undetectable		 3dcsA-5a42A:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.19A 3dcsA-5c2cA:
undetectable		 3dcsA-5c2cA:
18.53
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 GLN A  67
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
THR A 200
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 0.92A 3dcsA-5cjfA:
36.9		 3dcsA-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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
 0.36A 3dcsA-5cjfA:
36.9		 3dcsA-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)
 0.94A 3dcsA-5cjfA:
36.9		 3dcsA-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
PHE A 187
LEU A 256
THR A 257
THR A 258
TRP A 267
 None
 0.66A 3dcsA-5e5uA:
34.2		 3dcsA-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 GLN X  91
HIS X  93
HIS X  95
HIS X 118
VAL X 120
PHE X 129
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 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
None
 0.37A 3dcsA-5eztX:
44.1		 3dcsA-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
 1.35A 3dcsA-5eztX:
44.1		 3dcsA-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
 1.18A 3dcsA-5fnoA:
undetectable		 3dcsA-5fnoA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 3dcsA-5fx8A:
undetectable		 3dcsA-5fx8A:
16.83
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 GLN A  74
HIS A  98
LEU A 181
THR A 182
THR A 183
 None
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
 1.05A 3dcsA-5hpjA:
29.4		 3dcsA-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) 		9 GLN A  94
HIS A  96
HIS A  98
HIS A 115
VAL A 117
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 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
None
 0.49A 3dcsA-5hpjA:
29.4		 3dcsA-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
HIS A  96
THR A 183
THR A 182
TRP A  15
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
 1.33A 3dcsA-5hpjA:
29.4		 3dcsA-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
 1.20A 3dcsA-5hpjA:
29.4		 3dcsA-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  98
VAL A 127
LEU A 181
THR A 183
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
None
 1.37A 3dcsA-5hpjA:
29.4		 3dcsA-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 3dcsA-5j55A:
undetectable		 3dcsA-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) 		9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.35A 3dcsA-5jn9A:
33.4		 3dcsA-5jn9A:
35.79
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)
 1.49A 3dcsA-5jn9A:
33.4		 3dcsA-5jn9A:
35.79
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  96
VAL A 143
LEU A 198
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 (-3.9A)
 1.15A 3dcsA-5jn9A:
33.4		 3dcsA-5jn9A:
35.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ktg GREEN FLUORESCENT
PROTEIN, BCL-2
HOMOLOGOUS
ANTAGONIST/KILLER

(Aequorea
victoria;
Mus musculus) 		PF00452
(Bcl-2)
PF01353
(GFP) 		5 HIS A 181
PHE A  27
LEU A  60
THR A  62
THR A  63
 None
 1.46A 3dcsA-5ktgA:
undetectable		 3dcsA-5ktgA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 3dcsA-5v2dA:
undetectable		 3dcsA-5v2dA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 HIS A 219
HIS A 168
HIS A 284
PHE A 310
THR A 122
 FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
None
None
 1.39A 3dcsA-5v2dA:
undetectable		 3dcsA-5v2dA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 HIS A 498
VAL A 591
LEU A 551
THR A 548
THR A 547
 None
 1.12A 3dcsA-5zqzA:
undetectable		 3dcsA-5zqzA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 9 GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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 (-3.2A)
None
None
ZN  A 301 (-4.4A)
None
None
 0.37A 3dcsA-6ekiA:
30.0		 3dcsA-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 136
HIS A 119
VAL A 148
LEU A 201
THR A 203
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.3A)
None
None
None
 1.40A 3dcsA-6ekiA:
30.0		 3dcsA-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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
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)
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
 0.38A 3dcsA-6fe1A:
34.1		 3dcsA-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 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
 1.44A 3dcsA-6fe1A:
34.1		 3dcsA-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 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.85A 3dcsA-6fe1A:
34.1		 3dcsA-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 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
 1.34A 3dcsA-6fe1A:
34.1		 3dcsA-6fe1A:
14.90