SIMILAR PATTERNS OF AMINO ACIDS FOR 4M2R_A_BZ1A302

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) 		11 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 None
AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
None
 0.42A 4m2rA-1jd0A:
36.8		 4m2rA-1jd0A:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		11 ASN A  64
GLN A  90
HIS A  92
HIS A  94
VAL A 113
VAL A 123
LEU A 176
THR A 177
THR A 178
PRO A 180
TRP A 187
 BME  A 303 (-4.7A)
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
None
 0.43A 4m2rA-1kopA:
29.8		 4m2rA-1kopA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		6 GLN A  69
HIS A  92
HIS A  94
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.10A 4m2rA-1kopA:
29.8		 4m2rA-1kopA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		6 GLN A  69
HIS A  94
VAL A 113
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.23A 4m2rA-1kopA:
29.8		 4m2rA-1kopA:
33.96
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
VAL A 113
LEU A 176
THR A 177
THR A 178
PRO A 180
 ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.95A 4m2rA-1kopA:
29.8		 4m2rA-1kopA:
33.96
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 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 None
AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
None
 0.63A 4m2rA-1rj6A:
37.2		 4m2rA-1rj6A:
37.36
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 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
THR A 200
PRO A 202
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 1.03A 4m2rA-1rj6A:
37.2		 4m2rA-1rj6A:
37.36
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 GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
 None
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 1.09A 4m2rA-1rj6A:
37.2		 4m2rA-1rj6A:
37.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A  94
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 601 ( 3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
None
 1.43A 4m2rA-1rj6A:
37.2		 4m2rA-1rj6A:
37.36
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
LEU A 198
THR A 199
THR A 200
PRO A 202
 None
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
None
 1.33A 4m2rA-1urtA:
37.1		 4m2rA-1urtA:
51.14
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 GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
None
None
 0.36A 4m2rA-1urtA:
37.1		 4m2rA-1urtA:
51.14
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
 0.89A 4m2rA-1urtA:
37.1		 4m2rA-1urtA:
51.14
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
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.18A 4m2rA-1y7wA:
26.2		 4m2rA-1y7wA:
31.41
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 137
LEU A 216
THR A 217
THR A 218
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.92A 4m2rA-1y7wA:
26.2		 4m2rA-1y7wA:
31.41
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)
 1.00A 4m2rA-2bf4A:
undetectable		 4m2rA-2bf4A:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
PRO A 202
TRP A 209
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
None
 0.55A 4m2rA-2it4A:
41.1		 4m2rA-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 4m2rA-2it4A:
41.1		 4m2rA-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) 		5 HIS A 118
LEU A 222
THR A 223
PRO A 226
TRP A 233
 CL  A 401 (-4.2A)
None
CL  A 401 ( 4.8A)
None
None
 0.30A 4m2rA-2w2jA:
37.5		 4m2rA-2w2jA:
38.38
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) 		10 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
None
ZN  A   1 ( 4.7A)
None
None
 0.37A 4m2rA-2zncA:
32.3		 4m2rA-2zncA:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
 1.48A 4m2rA-2zncA:
32.3		 4m2rA-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
 0.84A 4m2rA-2zncA:
32.3		 4m2rA-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) 		11 ASN A 110
GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270
 None
None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
None
ZN  A 378 ( 4.5A)
None
None
None
 0.37A 4m2rA-3b1bA:
25.0		 4m2rA-3b1bA:
27.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 115
HIS A 163
HIS A 165
LEU A 259
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
ZN  A 378 ( 4.5A)
None
 1.06A 4m2rA-3b1bA:
25.0		 4m2rA-3b1bA:
27.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 115
HIS A 165
VAL A 184
LEU A 259
THR A 260
THR A 261
 None
ZN  A 378 (-3.3A)
None
None
ZN  A 378 ( 4.5A)
None
 1.18A 4m2rA-3b1bA:
25.0		 4m2rA-3b1bA:
27.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 HIS A 165
VAL A 184
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
 0.86A 4m2rA-3b1bA:
25.0		 4m2rA-3b1bA:
27.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  68
HIS A  97
LEU A 199
THR A 200
PRO A 203
TRP A 210
 None
ZN  A 301 ( 3.5A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.9A)
None
 1.11A 4m2rA-3da2A:
42.5		 4m2rA-3da2A:
59.16
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 ASN A  68
HIS A  97
VAL A 144
LEU A 199
PRO A 203
 None
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 ( 4.9A)
 1.02A 4m2rA-3da2A:
42.5		 4m2rA-3da2A:
59.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  93
HIS A  95
HIS A  97
PHE A 132
LEU A 199
THR A 200
PRO A 203
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 (-4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.9A)
 0.90A 4m2rA-3da2A:
42.5		 4m2rA-3da2A:
59.16
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
VAL A 122
PHE A 132
VAL A 144
LEU A 199
THR A 200
PRO A 203
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.9A)
None
 0.45A 4m2rA-3da2A:
42.5		 4m2rA-3da2A:
59.16
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
VAL A 122
LEU A 199
THR A 200
PRO A 203
 ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.9A)
 0.97A 4m2rA-3da2A:
42.5		 4m2rA-3da2A:
59.16
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLN A  87
HIS A  84
HIS A  82
PHE A 108
VAL A 169
 None
ZN  A1452 (-3.1A)
ZN  A1452 (-3.3A)
None
None
 1.03A 4m2rA-3e0lA:
undetectable		 4m2rA-3e0lA:
20.00
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) 		9 ASN A  83
GLN A 109
HIS A 111
HIS A 113
VAL A 140
VAL A 161
LEU A 219
THR A 220
TRP A 230
 None
None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
None
 0.70A 4m2rA-3fe4A:
31.5		 4m2rA-3fe4A:
34.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 111
HIS A 113
VAL A 140
VAL A 161
LEU A 219
THR A 220
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
 1.46A 4m2rA-3fe4A:
31.5		 4m2rA-3fe4A:
34.25
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 113
VAL A 140
VAL A 161
LEU A 219
THR A 220
PRO A 223
TRP A 230
 MG  A 901 (-3.4A)
None
None
None
None
None
None
 0.75A 4m2rA-3fe4A:
31.5		 4m2rA-3fe4A:
34.25
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
 0.53A 4m2rA-3fe4A:
31.5		 4m2rA-3fe4A:
34.25
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
 0.32A 4m2rA-3jxfA:
33.6		 4m2rA-3jxfA:
29.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		12 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 None
AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-4.4A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
None
 0.42A 4m2rA-3ml5A:
43.2		 4m2rA-3ml5A:
56.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  62
HIS A  94
VAL A 143
THR A 199
PRO A 201
TRP A 209
 None
ZN  A 263 ( 3.2A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
None
None
 1.29A 4m2rA-3ml5A:
43.2		 4m2rA-3ml5A:
56.54
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  96
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
 None
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 1.22A 4m2rA-3ml5A:
43.2		 4m2rA-3ml5A:
56.54
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)
 1.37A 4m2rA-3ml5A:
43.2		 4m2rA-3ml5A:
56.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
HIS A 125
VAL A 144
LEU A 214
THR A 215
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.42A 4m2rA-3q31A:
24.4		 4m2rA-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) 		10 GLN A 121
HIS A 123
HIS A 125
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
PRO A 218
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
None
MLT  A   3 (-4.9A)
 0.43A 4m2rA-3q31A:
24.4		 4m2rA-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) 		7 GLN A 121
HIS A 123
VAL A 144
LEU A 214
THR A 215
PRO A 217
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
None
MLT  A   3 (-4.9A)
 1.35A 4m2rA-3q31A:
24.4		 4m2rA-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
VAL A 154
LEU A 214
THR A 216
PRO A 218
TRP A 225
 ZN  A   1 ( 3.2A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-2.8A)
None
MLT  A   3 (-4.9A)
 1.28A 4m2rA-3q31A:
24.4		 4m2rA-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 142
HIS A 125
VAL A 154
LEU A 214
THR A 216
PRO A 218
 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)
None
 1.49A 4m2rA-3q31A:
24.4		 4m2rA-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) 		11 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 130
VAL A 142
THR A 198
THR A 199
PRO A 201
TRP A 208
 None
None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
None
ZN  A 261 ( 4.4A)
None
None
None
 0.54A 4m2rA-3uyqA:
41.4		 4m2rA-3uyqA:
58.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 142
THR A 198
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
ZN  A 261 ( 4.4A)
 1.25A 4m2rA-3uyqA:
41.4		 4m2rA-3uyqA:
58.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		11 ASN A  62
GLN A  87
HIS A  89
HIS A  91
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 None
AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
None
 0.40A 4m2rA-4g7aA:
30.0		 4m2rA-4g7aA:
33.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		6 GLN A  67
HIS A  91
VAL A 110
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 1.29A 4m2rA-4g7aA:
30.0		 4m2rA-4g7aA:
33.68
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
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 ZN  A 301 ( 3.2A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
None
 1.38A 4m2rA-4g7aA:
30.0		 4m2rA-4g7aA:
33.68
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 110
LEU A 173
THR A 174
THR A 175
PRO A 177
 ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
None
 0.95A 4m2rA-4g7aA:
30.0		 4m2rA-4g7aA:
33.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		12 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.19A 4m2rA-4qk3A:
44.3		 4m2rA-4qk3A:
95.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  67
HIS A  96
LEU A 198
THR A 199
THR A 200
PRO A 202
 None
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
None
 1.02A 4m2rA-4qk3A:
44.3		 4m2rA-4qk3A:
95.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  67
HIS A  96
VAL A 143
LEU A 198
THR A 200
PRO A 202
 None
ZN  A 301 (-3.2A)
None
None
None
None
 1.00A 4m2rA-4qk3A:
44.3		 4m2rA-4qk3A:
95.72
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)
 1.39A 4m2rA-4qk3A:
44.3		 4m2rA-4qk3A:
95.72
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
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
None
None
 1.28A 4m2rA-4qk3A:
44.3		 4m2rA-4qk3A:
95.72
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 121
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
 0.91A 4m2rA-4qk3A:
44.3		 4m2rA-4qk3A:
95.72
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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		6 HIS A  97
VAL A 116
VAL A 126
THR A 183
PRO A 186
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
None
ASC  A 303 (-4.3A)
 0.31A 4m2rA-4twlA:
28.6		 4m2rA-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) 		10 ASN A  85
GLN A 110
HIS A 112
HIS A 114
VAL A 133
VAL A 143
LEU A 197
THR A 198
THR A 199
TRP A 208
 None
CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 0.39A 4m2rA-4uovA:
31.4		 4m2rA-4uovA:
40.08
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 GLN A 110
HIS A 112
HIS A 114
VAL A 133
VAL A 143
LEU A 197
THR A 198
THR A 199
PRO A 201
TRP A 208
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
None
 0.45A 4m2rA-4uovA:
31.4		 4m2rA-4uovA:
40.08
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 133
LEU A 197
THR A 198
THR A 199
PRO A 201
 ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
None
 1.01A 4m2rA-4uovA:
31.4		 4m2rA-4uovA:
40.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 ASN A 927
GLN A 761
PHE A 773
LEU A 851
THR A 852
 None
 1.00A 4m2rA-4wd9A:
undetectable		 4m2rA-4wd9A:
13.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		11 ASN A  62
GLN A  87
HIS A  89
HIS A  91
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 None
AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
None
 0.41A 4m2rA-4x5sA:
30.0		 4m2rA-4x5sA:
38.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		6 GLN A  67
HIS A  91
VAL A 110
LEU A 173
THR A 174
THR A 175
 None
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)
 1.27A 4m2rA-4x5sA:
30.0		 4m2rA-4x5sA:
38.81
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  89
HIS A  91
VAL A 120
LEU A 173
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)
None
 1.09A 4m2rA-4x5sA:
30.0		 4m2rA-4x5sA:
38.81
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  89
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184
 ZN  A 301 ( 3.1A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
None
 1.31A 4m2rA-4x5sA:
30.0		 4m2rA-4x5sA:
38.81
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
VAL A 110
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 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
None
 0.97A 4m2rA-4x5sA:
30.0		 4m2rA-4x5sA:
38.81
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
VAL A 131
VAL A 141
LEU A 190
THR A 191
PRO A 194
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
None
None
None
ZN  A 301 (-4.3A)
None
None
 0.51A 4m2rA-4xfwA:
26.6		 4m2rA-4xfwA:
30.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 110
VAL A 131
VAL A 141
THR A 191
PRO A 193
TRP A 201
 ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.3A)
None
None
 1.23A 4m2rA-4xfwA:
26.6		 4m2rA-4xfwA:
30.91
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 162
VAL A 181
LEU A 253
THR A 254
THR A 255
PRO A 257
 None
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
 1.02A 4m2rA-4xixA:
25.9		 4m2rA-4xixA:
33.96
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) 		10 GLN A 158
HIS A 160
HIS A 162
VAL A 181
VAL A 192
LEU A 253
THR A 254
THR A 255
PRO A 257
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
None
None
 0.40A 4m2rA-4xixA:
25.9		 4m2rA-4xixA:
33.96
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) 		11 ASN A 138
GLN A 163
HIS A 165
HIS A 167
VAL A 186
VAL A 196
LEU A 251
THR A 252
THR A 253
PRO A 255
TRP A 262
 None
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
None
 0.38A 4m2rA-4xz5A:
29.9		 4m2rA-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) 		6 HIS A 165
VAL A 196
LEU A 251
THR A 253
PRO A 255
TRP A 262
 ZN  A 401 ( 3.2A)
None
BCT  A 402 (-3.8A)
BCT  A 402 ( 4.4A)
None
None
 1.30A 4m2rA-4xz5A:
29.9		 4m2rA-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.
5b1h CYSTATHIONINE
BETA-SYNTHASE

(Lactobacillus
plantarum) 		PF00291
(PALP) 		5 GLN A 236
VAL A 198
VAL A 172
LEU A 278
PRO A 279
 None
None
None
None
GOL  A 408 ( 4.4A)
 1.03A 4m2rA-5b1hA:
undetectable		 4m2rA-5b1hA:
19.81
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 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 GOL  A 303 (-3.9A)
GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
None
 0.35A 4m2rA-5cjfA:
36.9		 4m2rA-5cjfA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  62
HIS A  94
LEU A 198
THR A 199
PRO A 201
TRP A 209
 GOL  A 303 (-3.9A)
ZN  A 301 (-3.2A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
None
 1.47A 4m2rA-5cjfA:
36.9		 4m2rA-5cjfA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 GOL  A 303 (-3.4A)
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)
 1.18A 4m2rA-5cjfA:
36.9		 4m2rA-5cjfA:
37.50
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
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
 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)
None
 0.88A 4m2rA-5cjfA:
36.9		 4m2rA-5cjfA:
37.50
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
PHE A 187
LEU A 256
THR A 257
THR A 258
PRO A 260
TRP A 267
 None
 0.79A 4m2rA-5e5uA:
34.2		 4m2rA-5e5uA:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		12 ASN X  61
GLN X  91
HIS X  93
HIS X  95
VAL X 120
PHE X 129
VAL X 141
LEU X 196
THR X 197
THR X 198
PRO X 200
TRP X 207
 None
None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
None
ZN  X 301 ( 4.4A)
None
None
None
 0.27A 4m2rA-5eztX:
44.4		 4m2rA-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 ASN X  61
HIS X  93
VAL X 141
THR X 197
PRO X 199
TRP X 207
 None
ZN  X 301 (-3.2A)
None
ZN  X 301 ( 4.4A)
None
None
 1.44A 4m2rA-5eztX:
44.4		 4m2rA-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 ASN X  66
HIS X  95
LEU X 196
THR X 197
THR X 198
PRO X 200
 None
ZN  X 301 (-3.2A)
None
ZN  X 301 ( 4.4A)
None
None
 1.08A 4m2rA-5eztX:
44.4		 4m2rA-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 ASN X  66
HIS X  95
VAL X 141
LEU X 196
THR X 198
PRO X 200
 None
ZN  X 301 (-3.2A)
None
None
None
None
 1.04A 4m2rA-5eztX:
44.4		 4m2rA-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) 		7 GLN X  91
HIS X  93
HIS X  95
VAL X 120
PHE X 129
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
None
ZN  X 301 ( 4.4A)
 1.44A 4m2rA-5eztX:
44.4		 4m2rA-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
LEU X 196
THR X 197
THR X 198
PRO X 200
TRP X 207
 ZN  X 301 (-3.2A)
None
ZN  X 301 ( 4.4A)
None
None
None
 1.36A 4m2rA-5eztX:
44.4		 4m2rA-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 120
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
 0.98A 4m2rA-5eztX:
44.4		 4m2rA-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 118
HIS X  95
VAL X 141
LEU X 196
THR X 198
PRO X 200
 ZN  X 301 (-3.1A)
ZN  X 301 (-3.2A)
None
None
None
None
 1.44A 4m2rA-5eztX:
44.4		 4m2rA-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) 		11 ASN A  69
GLN A  94
HIS A  96
HIS A  98
VAL A 117
VAL A 127
LEU A 181
THR A 182
THR A 183
PRO A 185
TRP A 192
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
None
None
None
 0.43A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
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) 		8 ASN A  69
GLN A  94
HIS A  96
VAL A 117
VAL A 127
THR A 182
PRO A 184
TRP A 192
 None
None
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
None
 1.32A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		6 GLN A  94
HIS A  96
HIS A  98
VAL A 117
LEU A 181
THR A 182
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 1.47A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
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
LEU A 181
THR A 182
THR A 183
PRO A 185
TRP A 192
 ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
None
None
 1.37A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
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
VAL A 117
LEU A 181
THR A 182
THR A 183
PRO A 185
 ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
None
 1.03A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
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 115
HIS A  98
VAL A 127
LEU A 181
THR A 183
PRO A 185
 ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
None
None
 1.46A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
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) 		10 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
 None
EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.40A 4m2rA-5jn9A:
33.5		 4m2rA-5jn9A:
35.82
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 11 ASN A  90
GLN A 115
HIS A 117
HIS A 119
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212
 None
None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
None
None
ZN  A 301 (-4.4A)
None
None
None
 0.39A 4m2rA-6ekiA:
30.0		 4m2rA-6ekiA:
16.87
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 ASN A  90
HIS A 117
VAL A 148
THR A 202
PRO A 204
TRP A 212
 None
ZN  A 301 (-3.3A)
None
ZN  A 301 (-4.4A)
None
None
 1.32A 4m2rA-6ekiA:
30.0		 4m2rA-6ekiA:
16.87
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
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212
 ZN  A 301 (-3.3A)
None
ZN  A 301 (-4.4A)
None
None
None
 1.38A 4m2rA-6ekiA:
30.0		 4m2rA-6ekiA:
16.87
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
VAL A 138
LEU A 201
THR A 202
THR A 203
PRO A 205
 ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.4A)
None
None
 0.90A 4m2rA-6ekiA:
30.0		 4m2rA-6ekiA:
16.87
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 11 ASN A  62
GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 V14  A 302 (-3.4A)
V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
None
 0.49A 4m2rA-6fe1A:
34.0		 4m2rA-6fe1A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 HIS A  96
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209
 ZN  A 301 ( 3.2A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
None
 1.36A 4m2rA-6fe1A:
34.0		 4m2rA-6fe1A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		4 HIS P  94
GLU P 175
HIS P  97
LEU P 104
 ZN  P 304 (-3.3A)
None
None
None
 1.44A 4m2rA-1e4aP:
undetectable		 4m2rA-1e4aP:
20.52
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) 		4 HIS A  64
GLU A 106
HIS A 119
LEU A 141
 None
ZN  A 901 ( 4.5A)
ZN  A 901 ( 3.1A)
None
 0.20A 4m2rA-1jd0A:
36.8		 4m2rA-1jd0A:
36.33
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.
1m9u EARTHWORM
FIBRINOLYTIC ENZYME

(Eisenia fetida) 		PF00089
(Trypsin) 		4 HIS A 107
GLU A  92
HIS A  91
LEU A 235
 None
 1.46A 4m2rA-1m9uA:
undetectable		 4m2rA-1m9uA:
20.94
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.
1o5h FORMIMINOTETRAHYDROF
OLATE CYCLODEAMINASE

(Thermotoga
maritima) 		PF04961
(FTCD_C) 		4 HIS A 121
GLU A 184
HIS A 146
LEU A 139
 None
 1.48A 4m2rA-1o5hA:
undetectable		 4m2rA-1o5hA:
22.93
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) 		4 HIS A  64
GLU A 106
HIS A 119
LEU A 141
 None
ZN  A 601 ( 4.5A)
ZN  A 601 ( 3.2A)
None
 0.42A 4m2rA-1rj6A:
37.2		 4m2rA-1rj6A:
37.36
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A 333
GLU A 349
HIS A 234
LEU A 322
 None
 0.91A 4m2rA-1rkxA:
undetectable		 4m2rA-1rkxA:
19.44
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.
1tke THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF02824
(TGS)
PF07973
(tRNA_SAD) 		4 HIS A 194
GLU A 176
HIS A  81
LEU A  86
 None
 1.33A 4m2rA-1tkeA:
undetectable		 4m2rA-1tkeA:
21.79
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 HIS A 167
GLU A 162
HIS A 199
LEU A 202
 None
 1.25A 4m2rA-1tuoA:
undetectable		 4m2rA-1tuoA:
21.24
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 HIS A 335
GLU A 351
HIS A 236
LEU A 324
 None
 0.97A 4m2rA-1wvgA:
undetectable		 4m2rA-1wvgA:
19.24
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 HIS A  82
GLU A 425
HIS A 553
LEU A 551
 None
ZN  A1752 (-2.5A)
ZN  A1752 (-3.3A)
None
 1.36A 4m2rA-1z8lA:
undetectable		 4m2rA-1z8lA:
16.42
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.
2gs4 PROTEIN YCIF

(Escherichia
coli) 		PF05974
(DUF892) 		4 HIS A 111
GLU A 143
HIS A  47
LEU A  31
 None
 1.41A 4m2rA-2gs4A:
undetectable		 4m2rA-2gs4A:
20.46
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.
2hvb SUPEROXIDE REDUCTASE

(Pyrococcus
horikoshii) 		PF01880
(Desulfoferrodox) 		4 HIS A  84
GLU A  23
HIS A 114
LEU A 116
 None
FE  A 201 (-3.7A)
FE  A 201 (-3.2A)
None
 1.42A 4m2rA-2hvbA:
undetectable		 4m2rA-2hvbA:
20.39
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.
2m4k DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DELTA

(Bacillus
subtilis) 		PF05066
(HARE-HTH) 		4 HIS A  21
GLU A  26
HIS A  27
LEU A  37
 None
 1.28A 4m2rA-2m4kA:
undetectable		 4m2rA-2m4kA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		4 HIS A 310
GLU A 305
HIS A 304
LEU A 204
 HEM  A 505 ( 4.6A)
None
None
None
 1.01A 4m2rA-2q9gA:
undetectable		 4m2rA-2q9gA:
20.37
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.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00149
(Metallophos) 		4 HIS A 204
GLU A 155
HIS A 128
LEU A 123
 MN  A 401 ( 3.3A)
None
None
None
 1.42A 4m2rA-2qjcA:
undetectable		 4m2rA-2qjcA:
20.77
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		4 HIS A 886
GLU A 512
HIS A 544
LEU A 867
 None
 1.43A 4m2rA-2r6fA:
undetectable		 4m2rA-2r6fA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w57 FERRIC UPTAKE
REGULATION PROTEIN

(Vibrio cholerae) 		PF01475
(FUR) 		4 HIS A  86
GLU A 101
HIS A  33
LEU A  26
 None
ZN  A 202 ( 4.6A)
ZN  A 202 (-3.3A)
None
 1.47A 4m2rA-2w57A:
undetectable		 4m2rA-2w57A:
18.49
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.
2wli POTASSIUM CHANNEL

(Magnetospirillum
magnetotacticum) 		PF01007
(IRK) 		4 HIS A 236
GLU A 184
HIS A 196
LEU A 159
 None
 1.39A 4m2rA-2wliA:
undetectable		 4m2rA-2wliA:
21.68
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		4 HIS A 216
GLU A  94
HIS A  88
LEU A  28
 CO2  A1286 ( 3.3A)
GOL  A1277 (-4.5A)
SO4  A1273 (-4.4A)
None
 1.33A 4m2rA-2xvxA:
undetectable		 4m2rA-2xvxA:
19.43
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		4 HIS A 177
GLU A  32
HIS A 233
LEU A 282
 None
 1.35A 4m2rA-2zdsA:
undetectable		 4m2rA-2zdsA:
21.28
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.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		4 HIS A 192
GLU A  48
HIS A 213
LEU A 260
 None
 1.07A 4m2rA-3cnyA:
undetectable		 4m2rA-3cnyA:
22.49
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) 		4 HIS A  65
GLU A 107
HIS A 120
LEU A 142
 None
ZN  A 301 ( 4.9A)
ZN  A 301 ( 3.2A)
None
 0.27A 4m2rA-3da2A:
42.5		 4m2rA-3da2A:
59.16
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) 		4 HIS A  85
GLU A 125
HIS A 138
LEU A 159
 None
MG  A 901 ( 4.4A)
MG  A 901 (-3.2A)
None
 0.56A 4m2rA-3fe4A:
31.5		 4m2rA-3fe4A:
34.25
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.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		4 HIS A 109
GLU A 135
HIS A  84
LEU A  82
 None
None
ZN  A 326 (-3.4A)
None
 1.48A 4m2rA-3gayA:
undetectable		 4m2rA-3gayA:
22.22
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.
3glg DNA POLYMERASE III
SUBUNIT DELTA

(Escherichia
coli) 		PF06144
(DNA_pol3_delta)
PF14840
(DNA_pol3_delt_C) 		4 HIS A 231
GLU A 239
HIS A 211
LEU A 178
 None
 1.43A 4m2rA-3glgA:
undetectable		 4m2rA-3glgA:
21.31
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 201
GLU A 607
HIS A 262
LEU A 154
 C2O  A1002 (-3.7A)
None
None
None
 1.39A 4m2rA-3gyrA:
undetectable		 4m2rA-3gyrA:
18.36
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.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 4 HIS A 384
GLU A 375
HIS A 436
LEU A 352
 None
 1.43A 4m2rA-3kwlA:
undetectable		 4m2rA-3kwlA:
19.11
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) 		4 HIS A  64
GLU A 106
HIS A 119
LEU A 141
 None
ZN  A 263 ( 4.6A)
ZN  A 263 ( 3.1A)
None
 0.35A 4m2rA-3ml5A:
43.2		 4m2rA-3ml5A:
56.54
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.
3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 HIS A1096
GLU A1117
HIS A1132
LEU A1153
 None
 1.33A 4m2rA-3mpxA:
undetectable		 4m2rA-3mpxA:
21.16
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.
3obz PHYTANOYL-COA
DIOXYGENASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF05721
(PhyH) 		4 HIS A 156
GLU A 243
HIS A 241
LEU A 264
 FE2  A 482 ( 3.4A)
None
None
None
 1.41A 4m2rA-3obzA:
undetectable		 4m2rA-3obzA:
21.38
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.
3oq3 IFN-ALPHA/BETA
BINDING PROTEIN C12R

(Ectromelia
virus) 		PF00047
(ig)
PF13895
(Ig_2) 		4 HIS B 140
GLU B 136
HIS B 227
LEU B 262
 ZN  A 167 (-3.3A)
None
None
None
 1.42A 4m2rA-3oq3B:
undetectable		 4m2rA-3oq3B:
20.96
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 HIS A  55
GLU A 172
HIS A 120
LEU A  46
 None
 1.46A 4m2rA-3qdkA:
undetectable		 4m2rA-3qdkA:
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 HIS A 479
GLU A 486
HIS A 487
LEU A 717
 ZN  A   3 ( 3.4A)
None
None
None
 1.23A 4m2rA-3ttfA:
undetectable		 4m2rA-3ttfA:
16.40
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 HIS A 903
GLU A 528
HIS A 560
LEU A 884
 None
 1.37A 4m2rA-3zqjA:
undetectable		 4m2rA-3zqjA:
14.66
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 HIS B 331
GLU B 154
HIS B 152
LEU B 120
 None
 1.41A 4m2rA-4aczB:
undetectable		 4m2rA-4aczB:
21.03
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B3168
GLU B2904
HIS B2724
LEU B2720
 None
 1.38A 4m2rA-4bedB:
undetectable		 4m2rA-4bedB:
9.75
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		4 HIS A 122
GLU A 461
HIS A 115
LEU A 515
 None
None
None
NFU  A1004 (-3.7A)
 1.08A 4m2rA-4c3oA:
undetectable		 4m2rA-4c3oA:
19.06
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 HIS A1770
GLU A1694
HIS A1690
LEU A1474
 None
None
FMT  A2824 (-4.2A)
None
 1.25A 4m2rA-4c6oA:
undetectable		 4m2rA-4c6oA:
22.31
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 HIS A  48
GLU A  55
HIS A 352
LEU A  29
 None
 1.43A 4m2rA-4lr2A:
undetectable		 4m2rA-4lr2A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A1161
GLU A1207
HIS A1241
LEU A1104
 None
 1.29A 4m2rA-4n1aA:
undetectable		 4m2rA-4n1aA:
20.22
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A1161
GLU A1207
HIS A1241
LEU A1104
 None
 1.08A 4m2rA-4nh0A:
undetectable		 4m2rA-4nh0A:
12.29
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.
4reu FERRITIN

(Escherichia
coli) 		PF00210
(Ferritin) 		4 HIS A 128
GLU A  94
HIS A  46
LEU A 161
 None
FE  A 202 (-1.9A)
None
None
 1.40A 4m2rA-4reuA:
undetectable		 4m2rA-4reuA:
17.69
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.
4tzh LIC12234

(Leptospira
interrogans) 		PF13855
(LRR_8) 		4 HIS A  71
GLU A  27
HIS A  31
LEU A  38
 ZN  A 301 (-3.1A)
None
ZN  A 302 ( 3.2A)
None
 1.40A 4m2rA-4tzhA:
undetectable		 4m2rA-4tzhA:
23.05
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.
4utf GLYCOSYL HYDROLASE
FAMILY 71

(Bacteroides
xylanisolvens) 		PF16317
(Glyco_hydro_99) 		4 HIS A 335
GLU A 156
HIS A 154
LEU A 121
 MAN  A 500 (-4.5A)
IFM  A 501 (-2.8A)
IFM  A 501 (-4.1A)
None
 1.42A 4m2rA-4utfA:
undetectable		 4m2rA-4utfA:
19.38
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		4 HIS A   3
GLU A   9
HIS A 477
LEU A 186
 None
 1.35A 4m2rA-4wj3A:
undetectable		 4m2rA-4wj3A:
18.48
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.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 HIS A 321
GLU A 362
HIS A 366
LEU A 273
 None
 1.25A 4m2rA-4xhjA:
undetectable		 4m2rA-4xhjA:
17.38
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) 		4 HIS A 134
GLU A 166
HIS A 179
LEU A 190
 None
2HP  A 402 ( 4.7A)
ZN  A 401 ( 3.1A)
None
 0.53A 4m2rA-4xixA:
25.9		 4m2rA-4xixA:
33.96
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 4 HIS A 376
GLU A 400
HIS A 374
LEU A 427
 None
NAG  A1004 (-3.9A)
None
None
 1.47A 4m2rA-4xn3A:
undetectable		 4m2rA-4xn3A:
17.09
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) 		4 HIS A 140
GLU A 171
HIS A 184
LEU A 194
 None
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
None
 0.24A 4m2rA-4xz5A:
29.9		 4m2rA-4xz5A:
33.21
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) 		4 HIS A  64
GLU A 106
HIS A 119
LEU A 141
 None
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.1A)
None
 0.15A 4m2rA-5cjfA:
36.9		 4m2rA-5cjfA:
37.50
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) 		4 HIS X  63
GLU X 105
HIS X 118
LEU X 139
 None
ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
None
 0.31A 4m2rA-5eztX:
44.4		 4m2rA-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) 		4 HIS A  71
GLU A 102
HIS A 115
LEU A 125
 None
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.1A)
None
 0.40A 4m2rA-5hpjA:
29.5		 4m2rA-5hpjA:
35.85
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 4 HIS A 317
GLU A 273
HIS A 286
LEU A 234
 MN  A 602 (-3.2A)
None
None
None
 1.27A 4m2rA-5hrmA:
undetectable		 4m2rA-5hrmA:
18.90
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		4 HIS A 517
GLU A 463
HIS A 465
LEU A 480
 None
 1.38A 4m2rA-5hzwA:
undetectable		 4m2rA-5hzwA:
17.86
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 4 HIS A 317
GLU A 273
HIS A 286
LEU A 234
 None
 1.38A 4m2rA-5iojA:
undetectable		 4m2rA-5iojA:
17.39
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		4 HIS A 232
GLU A  69
HIS A  19
LEU A  15
 None
 1.21A 4m2rA-5ipxA:
undetectable		 4m2rA-5ipxA:
21.49
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.
5l7k PROTEIN UNC-119
HOMOLOG A

(Homo sapiens) 		PF05351
(GMP_PDE_delta) 		4 HIS A 192
GLU A 163
HIS A 165
LEU A 140
 None
 1.44A 4m2rA-5l7kA:
undetectable		 4m2rA-5l7kA:
21.61
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 4 HIS A 288
GLU A 420
HIS A 345
LEU A 280
 None
 1.47A 4m2rA-5m3xA:
undetectable		 4m2rA-5m3xA:
15.68
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 4 HIS A 108
GLU A 134
HIS A  83
LEU A  81
 None
ZN  A 402 (-1.9A)
ZN  A 402 (-3.4A)
None
 1.37A 4m2rA-5ud0A:
undetectable		 4m2rA-5ud0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6czm -

(-) 		no annotation 4 HIS A 126
GLU A 360
HIS A 258
LEU A 371
 None
 1.24A 4m2rA-6czmA:
undetectable		 4m2rA-6czmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 4 HIS A  92
GLU A 123
HIS A 136
LEU A 146
 None
ZN  A 301 ( 4.7A)
ZN  A 301 (-3.2A)
None
 0.28A 4m2rA-6ekiA:
30.0		 4m2rA-6ekiA:
16.87
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 4 HIS A  64
GLU A 106
HIS A 119
LEU A 141
 None
V14  A 302 (-4.2A)
ZN  A 301 ( 3.1A)
None
 0.38A 4m2rA-6fe1A:
34.0		 4m2rA-6fe1A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ffj -

(-) 		no annotation 4 HIS A 454
GLU A  99
HIS A  35
LEU A  45
 None
 1.33A 4m2rA-6ffjA:
undetectable		 4m2rA-6ffjA:
undetectable