SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDZ_A_EZLA264

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) 		10 HIS A  94
HIS A  96
GLU A 106
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 ( 4.5A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
None
 0.33A 3mdzA-1jd0A:
36.1		 3mdzA-1jd0A:
37.24
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  96
HIS A 119
VAL A 121
ALA A 131
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
None
 1.13A 3mdzA-1jd0A:
36.1		 3mdzA-1jd0A:
37.24
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) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 4.5A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
 1.06A 3mdzA-1jd0A:
36.1		 3mdzA-1jd0A:
37.24
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) 		7 HIS A  96
HIS A 119
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
None
 1.47A 3mdzA-1jd0A:
36.1		 3mdzA-1jd0A:
37.24
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) 		10 HIS A  92
HIS A  94
GLU A  98
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 ( 4.6A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.36A 3mdzA-1kopA:
29.2		 3mdzA-1kopA:
31.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
GLU A  98
VAL A 123
LEU A 176
THR A 178
PRO A 180
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
None
AZI  A 305 (-4.2A)
AZI  A 305 ( 4.2A)
None
 1.08A 3mdzA-1kopA:
29.2		 3mdzA-1kopA:
31.56
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) 		11 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
ALA A 135
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 ( 4.5A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
None
 0.47A 3mdzA-1rj6A:
37.3		 3mdzA-1rj6A:
34.84
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) 		7 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 1.09A 3mdzA-1rj6A:
37.3		 3mdzA-1rj6A:
34.84
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) 		10 HIS A  94
HIS A  96
GLU A 106
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 ( 4.7A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
None
None
 0.33A 3mdzA-1urtA:
37.6		 3mdzA-1urtA:
45.99
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 199
PRO A 201
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
None
 1.41A 3mdzA-1urtA:
37.6		 3mdzA-1urtA:
45.99
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 198
THR A 199
THR A 200
PRO A 202
 ZN  A 280 (-3.2A)
ZN  A 280 ( 4.7A)
None
None
ZN  A 280 ( 4.9A)
None
None
 0.88A 3mdzA-1urtA:
37.6		 3mdzA-1urtA:
45.99
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
HIS A 119
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)
None
ZN  A 280 ( 4.9A)
None
None
None
 1.50A 3mdzA-1urtA:
37.6		 3mdzA-1urtA:
45.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		9 HIS A 115
HIS A 117
GLU A 122
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 ( 4.5A)
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
 0.24A 3mdzA-1y7wA:
25.8		 3mdzA-1y7wA:
29.58
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		6 HIS A 117
GLU A 122
VAL A 153
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.88A 3mdzA-1y7wA:
25.8		 3mdzA-1y7wA:
29.58
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 431
HIS A 450
ALA A 394
LEU A 455
PRO A 423
 None
 1.18A 3mdzA-1zy8A:
undetectable		 3mdzA-1zy8A:
17.57
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 GLU A 137
HIS A  80
ALA A 167
LEU A  89
THR A  90
 MG  A2018 ( 4.6A)
None
None
None
None
 1.19A 3mdzA-2gfqA:
undetectable		 3mdzA-2gfqA:
23.19
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) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
ALA A 135
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 ( 4.9A)
ZN  A 561 ( 3.1A)
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
None
 0.58A 3mdzA-2it4A:
40.1		 3mdzA-2it4A:
51.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
PRO A 202
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 4.9A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.88A 3mdzA-2it4A:
40.1		 3mdzA-2it4A:
51.56
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) 		7 HIS A 118
GLU A 128
HIS A 141
LEU A 222
THR A 223
PRO A 226
TRP A 233
 CL  A 401 (-4.2A)
None
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
None
 0.28A 3mdzA-2w2jA:
37.2		 3mdzA-2w2jA:
40.40
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 3mdzA-2w2jA:
37.2		 3mdzA-2w2jA:
40.40
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.
2yva DNAA
INITIATOR-ASSOCIATIN
G PROTEIN DIAA

(Escherichia
coli) 		PF13580
(SIS_2) 		5 HIS A 175
VAL A 140
ALA A  31
LEU A 182
THR A 178
 None
 1.22A 3mdzA-2yvaA:
undetectable		 3mdzA-2yvaA:
20.14
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 HIS A  94
HIS A  96
GLU A 106
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 ( 4.8A)
ZN  A   1 ( 3.2A)
None
None
ZN  A   1 ( 4.7A)
None
None
 0.37A 3mdzA-2zncA:
31.5		 3mdzA-2zncA:
31.12
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
 0.81A 3mdzA-2zncA:
31.5		 3mdzA-2zncA:
31.12
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) 		10 HIS A 163
HIS A 165
GLU A 169
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 ( 4.5A)
ZN  A 378 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
None
None
None
 0.29A 3mdzA-3b1bA:
25.1		 3mdzA-3b1bA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 HIS A 165
GLU A 169
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
 ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
None
None
ZN  A 378 ( 4.5A)
None
None
 1.04A 3mdzA-3b1bA:
25.1		 3mdzA-3b1bA:
28.18
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
ALA A 136
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 ( 4.9A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-3.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.9A)
None
 0.56A 3mdzA-3da2A:
41.4		 3mdzA-3da2A:
51.65
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  97
GLU A 107
VAL A 144
LEU A 199
PRO A 203
 ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 ( 4.9A)
 1.00A 3mdzA-3da2A:
41.4		 3mdzA-3da2A:
51.65
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLU A 164
HIS A 130
VAL A 106
ALA A 115
LEU A 127
 None
 1.17A 3mdzA-3e6eA:
undetectable		 3mdzA-3e6eA:
22.50
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 GLU A 125
HIS A 113
THR A 220
THR A 221
PRO A 223
 MG  A 901 ( 4.4A)
MG  A 901 (-3.4A)
None
None
None
 1.23A 3mdzA-3fe4A:
31.0		 3mdzA-3fe4A:
35.40
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 GLU A 125
LEU A 219
THR A 220
THR A 221
PRO A 223
TRP A 230
 MG  A 901 ( 4.4A)
None
None
None
None
None
 0.64A 3mdzA-3fe4A:
31.0		 3mdzA-3fe4A:
35.40
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 HIS A 111
HIS A 113
GLU A 125
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 ( 4.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.69A 3mdzA-3fe4A:
31.0		 3mdzA-3fe4A:
35.40
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 HIS A 113
GLU A 125
HIS A 138
VAL A 140
LEU A 219
THR A 220
PRO A 223
TRP A 230
 MG  A 901 (-3.4A)
MG  A 901 ( 4.4A)
MG  A 901 (-3.2A)
None
None
None
None
None
 0.72A 3mdzA-3fe4A:
31.0		 3mdzA-3fe4A:
35.40
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 HIS A 113
HIS A 138
HIS A 111
THR A 220
PRO A 222
 MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
MG  A 901 (-3.4A)
None
None
 1.15A 3mdzA-3fe4A:
31.0		 3mdzA-3fe4A:
35.40
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.
3fve DIAMINOPIMELATE
EPIMERASE

(Mycobacterium
tuberculosis) 		PF01678
(DAP_epimerase) 		5 GLU A 256
HIS A 251
ALA A 237
LEU A 248
THR A 249
 None
 1.19A 3mdzA-3fveA:
undetectable		 3mdzA-3fveA:
22.93
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 235
THR A 236
PRO A 239
TRP A 246
 None
 0.32A 3mdzA-3jxfA:
34.3		 3mdzA-3jxfA:
29.90
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.
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
 1.24A 3mdzA-3jxfA:
34.3		 3mdzA-3jxfA:
29.90
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) 		11 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
ALA A 135
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 ( 4.6A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
None
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
None
 0.54A 3mdzA-3ml5A:
43.8		 3mdzA-3ml5A:
95.94
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
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.88A 3mdzA-3ml5A:
43.8		 3mdzA-3ml5A:
95.94
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
 1.46A 3mdzA-3ml5A:
43.8		 3mdzA-3ml5A:
95.94
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 3mdzA-3ml5A:
43.8		 3mdzA-3ml5A:
95.94
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		10 HIS A 123
HIS A 125
GLU A 129
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 ( 4.7A)
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)
 0.38A 3mdzA-3q31A:
24.2		 3mdzA-3q31A:
29.63
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 HIS A 123
HIS A 142
LEU A 214
THR A 215
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 ( 4.3A)
MLT  A   3 (-2.8A)
None
MLT  A   3 (-4.9A)
 1.40A 3mdzA-3q31A:
24.2		 3mdzA-3q31A:
29.63
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 HIS A 123
HIS A 142
VAL A 144
LEU A 214
THR A 215
PRO A 217
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
None
MLT  A   3 (-4.9A)
 1.42A 3mdzA-3q31A:
24.2		 3mdzA-3q31A:
29.63
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 HIS A 125
GLU A 129
VAL A 154
LEU A 214
THR A 215
THR A 216
PRO A 218
 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)
None
 0.99A 3mdzA-3q31A:
24.2		 3mdzA-3q31A:
29.63
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 HIS A 142
HIS A 125
VAL A 154
LEU A 214
THR A 215
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 ( 4.3A)
MLT  A   3 (-2.8A)
 1.31A 3mdzA-3q31A:
24.2		 3mdzA-3q31A:
29.63
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
GLU A 106
HIS A 119
VAL A 121
THR A 198
THR A 199
PRO A 201
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
None
 0.47A 3mdzA-3uyqA:
39.7		 3mdzA-3uyqA:
47.33
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
GLU A 106
HIS A 119
VAL A 121
THR A 198
THR A 199
TRP A 208
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
None
 0.36A 3mdzA-3uyqA:
39.7		 3mdzA-3uyqA:
47.33
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
 0.67A 3mdzA-3uyqA:
39.7		 3mdzA-3uyqA:
47.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		5 VAL A   5
ALA A 134
THR A 154
THR A 155
PRO A 157
 None
 1.12A 3mdzA-3zreA:
undetectable		 3mdzA-3zreA:
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.
4a3q ALANINE RACEMASE 1

(Staphylococcus
aureus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLU A 163
HIS A 129
VAL A 105
ALA A 114
LEU A 126
 None
 1.24A 3mdzA-4a3qA:
undetectable		 3mdzA-4a3qA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 VAL A   5
ALA A 134
THR A 154
THR A 155
PRO A 157
 None
 1.13A 3mdzA-4af2A:
undetectable		 3mdzA-4af2A:
25.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  75
HIS A  73
HIS A 107
ALA A 169
THR A 253
 None
None
None
CL  A1493 ( 3.7A)
None
 1.24A 3mdzA-4cnsA:
undetectable		 3mdzA-4cnsA:
18.94
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  75
HIS A  73
HIS A 107
ALA A 169
THR A 253
 None
 1.25A 3mdzA-4cntA:
undetectable		 3mdzA-4cntA:
17.63
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 HIS A 967
VAL A 908
ALA A 951
LEU A 964
THR A 965
 None
 1.19A 3mdzA-4cu8A:
undetectable		 3mdzA-4cu8A:
14.81
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) 		10 HIS A  89
HIS A  91
GLU A  95
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)
AZM  A 302 ( 4.6A)
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
 0.25A 3mdzA-4g7aA:
29.6		 3mdzA-4g7aA:
38.36
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 HIS A  91
GLU A  95
VAL A 120
LEU A 173
THR A 174
THR A 175
PRO A 177
 ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.6A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 0.96A 3mdzA-4g7aA:
29.6		 3mdzA-4g7aA:
38.36
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 HIS A  91
HIS A 108
LEU A 173
THR A 174
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)
AZM  A 302 (-3.4A)
None
None
 1.48A 3mdzA-4g7aA:
29.6		 3mdzA-4g7aA:
38.36
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
GLU A 106
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 ( 4.5A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.23A 3mdzA-4qk3A:
41.0		 3mdzA-4qk3A:
51.96
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 198
THR A 199
THR A 200
PRO A 202
 ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
None
None
ZN  A 301 ( 4.4A)
None
None
 0.92A 3mdzA-4qk3A:
41.0		 3mdzA-4qk3A:
51.96
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 198
THR A 199
THR A 200
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
 1.36A 3mdzA-4qk3A:
41.0		 3mdzA-4qk3A:
51.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		6 HIS A  97
GLU A 101
VAL A 116
THR A 183
PRO A 186
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-4.2A)
ASC  A 303 (-3.4A)
None
ASC  A 303 (-4.3A)
 0.31A 3mdzA-4twlA:
27.7		 3mdzA-4twlA:
28.71
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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
GLU A 101
VAL A 126
THR A 183
PRO A 186
 ASC  A 303 (-4.4A)
ASC  A 303 ( 4.5A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
None
 0.92A 3mdzA-4twlA:
27.7		 3mdzA-4twlA:
28.71
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) 		10 HIS A 112
HIS A 114
GLU A 118
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)
AZM  A 299 ( 4.4A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
None
 0.39A 3mdzA-4uovA:
30.7		 3mdzA-4uovA:
35.79
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) 		7 HIS A 114
GLU A 118
VAL A 143
LEU A 197
THR A 198
THR A 199
PRO A 201
 ZN  A 298 ( 3.2A)
AZM  A 299 ( 4.4A)
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 1.06A 3mdzA-4uovA:
30.7		 3mdzA-4uovA:
35.79
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) 		10 HIS A  89
HIS A  91
GLU A  95
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)
AZM  A 302 ( 4.5A)
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
 0.26A 3mdzA-4x5sA:
29.3		 3mdzA-4x5sA:
35.40
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  91
GLU A  95
VAL A 120
LEU A 173
THR A 174
THR A 175
PRO A 177
 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)
None
 0.99A 3mdzA-4x5sA:
29.3		 3mdzA-4x5sA:
35.40
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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		9 HIS A 110
HIS A 112
GLU A 116
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 (-4.9A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
None
None
 0.50A 3mdzA-4xfwA:
26.1		 3mdzA-4xfwA:
26.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 112
GLU A 116
VAL A 141
LEU A 190
THR A 191
PRO A 194
 ZN  A 301 (-3.4A)
ZN  A 301 (-4.9A)
None
None
ZN  A 301 (-4.3A)
None
 0.86A 3mdzA-4xfwA:
26.1		 3mdzA-4xfwA:
26.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 112
HIS A 129
LEU A 190
THR A 191
PRO A 194
TRP A 201
 ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
ZN  A 301 (-4.3A)
None
None
 1.47A 3mdzA-4xfwA:
26.1		 3mdzA-4xfwA:
26.64
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) 		10 HIS A 160
HIS A 162
GLU A 166
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)
2HP  A 402 ( 4.7A)
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 3mdzA-4xixA:
25.4		 3mdzA-4xixA:
32.65
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 HIS A 162
GLU A 166
VAL A 192
LEU A 253
THR A 254
THR A 255
PRO A 257
 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)
None
 1.07A 3mdzA-4xixA:
25.4		 3mdzA-4xixA:
32.65
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 HIS A 162
HIS A 179
LEU A 253
THR A 254
THR A 255
PRO A 257
TRP A 264
 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)
None
None
 1.46A 3mdzA-4xixA:
25.4		 3mdzA-4xixA:
32.65
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) 		10 HIS A 165
HIS A 167
GLU A 171
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 ( 4.5A)
ZN  A 401 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
None
 0.34A 3mdzA-4xz5A:
29.3		 3mdzA-4xz5A:
30.77
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) 		7 HIS A 167
GLU A 171
VAL A 196
LEU A 251
THR A 252
THR A 253
PRO A 255
 ZN  A 401 ( 3.3A)
ZN  A 401 ( 4.5A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 0.95A 3mdzA-4xz5A:
29.3		 3mdzA-4xz5A:
30.77
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) 		11 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
ALA A 135
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 ( 4.6A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 ( 3.7A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
None
 0.38A 3mdzA-5cjfA:
36.6		 3mdzA-5cjfA:
35.96
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 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 0.92A 3mdzA-5cjfA:
36.6		 3mdzA-5cjfA:
35.96
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) 		7 HIS A 151
GLU A 162
LEU A 256
THR A 257
THR A 258
PRO A 260
TRP A 267
 None
 0.27A 3mdzA-5e5uA:
34.7		 3mdzA-5e5uA:
33.69
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.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		5 GLU A  13
VAL A  91
ALA A 106
THR A 100
THR A  99
 TRS  A 403 (-4.6A)
None
None
None
None
 1.27A 3mdzA-5enzA:
undetectable		 3mdzA-5enzA:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		11 HIS X  93
HIS X  95
GLU X 105
HIS X 118
VAL X 120
ALA X 133
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 ( 4.6A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
None
None
 0.57A 3mdzA-5eztX:
42.0		 3mdzA-5eztX:
51.07
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 HIS X  95
GLU X 105
VAL X 141
LEU X 196
THR X 197
THR X 198
PRO X 200
 ZN  X 301 (-3.2A)
ZN  X 301 ( 4.6A)
None
None
ZN  X 301 ( 4.4A)
None
None
 0.94A 3mdzA-5eztX:
42.0		 3mdzA-5eztX:
51.07
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 118
HIS X  95
VAL X 141
LEU X 196
THR X 197
THR X 198
 ZN  X 301 (-3.1A)
ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
None
 1.39A 3mdzA-5eztX:
42.0		 3mdzA-5eztX:
51.07
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) 		10 HIS A  96
HIS A  98
GLU A 102
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 ( 4.6A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.37A 3mdzA-5hpjA:
28.9		 3mdzA-5hpjA:
35.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
HIS A 115
VAL A 117
THR A 182
PRO A 184
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
None
 1.36A 3mdzA-5hpjA:
28.9		 3mdzA-5hpjA:
35.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		6 HIS A  98
GLU A 102
VAL A 127
LEU A 181
THR A 183
PRO A 185
 ZN  A 301 (-3.2A)
ZN  A 301 ( 4.6A)
None
None
None
None
 0.91A 3mdzA-5hpjA:
28.9		 3mdzA-5hpjA:
35.23
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
HIS A 115
LEU A 181
THR A 182
THR A 183
PRO A 185
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
None
None
 1.49A 3mdzA-5hpjA:
28.9		 3mdzA-5hpjA:
35.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 HIS A 319
VAL A 318
ALA A 328
LEU A 325
THR A 323
 None
 1.23A 3mdzA-5ic7A:
undetectable		 3mdzA-5ic7A:
22.20
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 HIS A  94
HIS A  96
GLU A 106
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 ( 4.6A)
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
 0.26A 3mdzA-5jn9A:
32.8		 3mdzA-5jn9A:
32.54
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  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
 0.91A 3mdzA-5jn9A:
32.8		 3mdzA-5jn9A:
32.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 3mdzA-5kjaA:
undetectable		 3mdzA-5kjaA:
20.00
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLU A 142
HIS A 284
ALA A 292
LEU A 162
THR A 163
 None
 1.21A 3mdzA-5lunA:
undetectable		 3mdzA-5lunA:
21.94
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 VAL A 497
ALA A  95
THR A 437
THR A 436
PRO A 401
 None
 1.08A 3mdzA-5oasA:
undetectable		 3mdzA-5oasA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLU A  65
ALA A 135
LEU A 178
THR A 110
THR A 179
 None
 1.14A 3mdzA-5t98A:
undetectable		 3mdzA-5t98A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		5 HIS A 245
ALA A 295
LEU A  44
THR A  46
THR A  47
 FAD  A 401 ( 3.9A)
FAD  A 401 (-3.4A)
FAD  A 401 (-3.9A)
None
FAD  A 401 (-3.7A)
 1.23A 3mdzA-5u63A:
undetectable		 3mdzA-5u63A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 10 HIS A 117
HIS A 119
GLU A 123
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 ( 4.7A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
None
None
None
 0.25A 3mdzA-6ekiA:
29.4		 3mdzA-6ekiA:
15.00
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 HIS A 119
GLU A 123
VAL A 148
LEU A 201
THR A 203
PRO A 205
 ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
None
None
None
None
 0.94A 3mdzA-6ekiA:
29.4		 3mdzA-6ekiA:
15.00
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 7 HIS A 119
HIS A 136
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 301 (-4.4A)
None
None
None
 1.45A 3mdzA-6ekiA:
29.4		 3mdzA-6ekiA:
15.00
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 HIS A1630
HIS A1213
ALA A1824
LEU A1621
THR A1633
 None
 1.22A 3mdzA-6fb3A:
undetectable		 3mdzA-6fb3A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 10 HIS A  94
HIS A  96
GLU A 106
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)
V14  A 302 (-4.2A)
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
 0.33A 3mdzA-6fe1A:
33.6		 3mdzA-6fe1A:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 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)
V14  A 302 (-3.2A)
None
None
 1.26A 3mdzA-6fe1A:
33.6		 3mdzA-6fe1A:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 7 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
 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)
None
 0.88A 3mdzA-6fe1A:
33.6		 3mdzA-6fe1A:
23.46