SIMILAR PATTERNS OF AMINO ACIDS FOR 4XIW_B_AZMB402_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
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
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 4.5A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
 0.43A 4xiwB-1jd0A:
25.4
4xiwE-1jd0A:
25.6		 4xiwB-1jd0A:
29.71
4xiwE-1jd0A:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 901 ( 3.1A)
ZN  A 901 ( 3.2A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 1.43A 4xiwB-1jd0A:
25.4
4xiwE-1jd0A:
25.6		 4xiwB-1jd0A:
29.71
4xiwE-1jd0A:
29.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		7 GLN A  69
HIS A  92
HIS A  94
GLU A  98
LEU A 176
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.11A 4xiwB-1kopA:
28.4
4xiwE-1kopA:
28.2		 4xiwB-1kopA:
38.58
4xiwE-1kopA:
38.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		5 GLN A  90
HIS A  92
GLU A 109
VAL A 113
THR A 177
 None
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-3.4A)
 1.15A 4xiwB-1kopA:
28.4
4xiwE-1kopA:
28.2		 4xiwB-1kopA:
38.58
4xiwE-1kopA:
38.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		10 GLN A  90
HIS A  92
HIS A  94
GLU A  98
HIS A 111
VAL A 113
LEU A 176
THR A 177
THR A 178
TRP A 187
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
None
 0.35A 4xiwB-1kopA:
28.4
4xiwE-1kopA:
28.2		 4xiwB-1kopA:
38.58
4xiwE-1kopA:
38.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 GLN A  67
HIS A  94
HIS A  96
GLU A 106
LEU A 198
THR A 199
THR A 200
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.12A 4xiwB-1rj6A:
26.2
4xiwE-1rj6A:
26.6		 4xiwB-1rj6A:
29.30
4xiwE-1rj6A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
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
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
None
 0.43A 4xiwB-1rj6A:
26.2
4xiwE-1rj6A:
26.6		 4xiwB-1rj6A:
29.30
4xiwE-1rj6A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		5 VAL A 209
LEU A 170
THR A 169
VAL A 238
PRO A 239
 None
 1.03A 4xiwB-1rrcA:
undetectable
4xiwE-1rrcA:
undetectable		 4xiwB-1rrcA:
22.08
4xiwE-1rrcA:
22.08
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLN A 514
HIS A 518
HIS A 709
HIS A 523
VAL A 769
 None
FE2  A 858 ( 3.4A)
FE2  A 858 ( 3.4A)
FE2  A 858 ( 3.3A)
None
 0.88A 4xiwB-1rrhA:
undetectable
4xiwE-1rrhA:
undetectable		 4xiwB-1rrhA:
13.33
4xiwE-1rrhA:
13.33
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE

(Mycobacterium
bovis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 VAL A 233
LEU A 208
THR A 212
VAL A 227
PRO A 228
 None
 1.16A 4xiwB-1tdtA:
undetectable
4xiwE-1tdtA:
undetectable		 4xiwB-1tdtA:
21.17
4xiwE-1tdtA:
21.17
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
GLU A 106
HIS A 119
LEU A 198
THR A 199
THR A 200
 None
ZN  A 280 ( 4.7A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
 1.19A 4xiwB-1urtA:
24.6
4xiwE-1urtA:
24.8		 4xiwB-1urtA:
35.59
4xiwE-1urtA:
35.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
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
 None
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
 0.36A 4xiwB-1urtA:
24.6
4xiwE-1urtA:
24.8		 4xiwB-1urtA:
35.59
4xiwE-1urtA:
35.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 1.37A 4xiwB-1urtA:
24.6
4xiwE-1urtA:
24.8		 4xiwB-1urtA:
35.59
4xiwE-1urtA:
35.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		6 GLN A 113
HIS A 115
GLU A 133
HIS A 135
VAL A 137
TRP A 227
 None
ZN  A 283 ( 3.2A)
None
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
 1.48A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 GLN A 113
HIS A 115
GLU A 133
VAL A 137
THR A 217
 None
ZN  A 283 ( 3.2A)
None
ACY  A 279 ( 4.7A)
ACY  A 279 (-3.4A)
 1.18A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		10 GLN A 113
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
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
None
 0.29A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		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)
 0.91A 4xiwB-1y7wA:
22.9
4xiwE-1y7wA:
23.1		 4xiwB-1y7wA:
31.13
4xiwE-1y7wA:
31.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		5 HIS A 490
HIS A 457
LEU A 389
VAL A 395
PRO A 396
 None
 0.98A 4xiwB-1z6tA:
undetectable
4xiwE-1z6tA:
undetectable		 4xiwB-1z6tA:
17.86
4xiwE-1z6tA:
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.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		5 HIS A 490
HIS A 457
LEU A 389
VAL A 395
PRO A 396
 None
 1.13A 4xiwB-1z6tA:
undetectable
4xiwE-1z6tA:
undetectable		 4xiwB-1z6tA:
17.86
4xiwE-1z6tA:
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 GLN A  53
VAL A  49
LEU A  92
THR A  91
VAL A  59
 None
 1.15A 4xiwB-2aa4A:
undetectable
4xiwE-2aa4A:
undetectable		 4xiwB-2aa4A:
20.07
4xiwE-2aa4A:
20.07
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
GLU A 106
HIS A 119
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 4.9A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.61A 4xiwB-2it4A:
26.2
4xiwE-2it4A:
26.1		 4xiwB-2it4A:
32.58
4xiwE-2it4A:
32.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
 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)
 0.86A 4xiwB-2it4A:
26.2
4xiwE-2it4A:
26.1		 4xiwB-2it4A:
32.58
4xiwE-2it4A:
32.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLN A 521
HIS A 525
HIS A 716
HIS A 530
VAL A 776
 None
FE  A 901 (-3.3A)
FE  A 901 (-3.5A)
FE  A 901 (-3.5A)
None
 0.99A 4xiwB-2iukA:
undetectable
4xiwE-2iukA:
undetectable		 4xiwB-2iukA:
13.83
4xiwE-2iukA:
13.83
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 GLU A 128
HIS A 141
LEU A 222
THR A 223
TRP A 233
VAL A 157
 None
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
None
 1.18A 4xiwB-2w2jA:
25.3
4xiwE-2w2jA:
25.7		 4xiwB-2w2jA:
30.90
4xiwE-2w2jA:
30.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 118
GLU A 128
HIS A 141
LEU A 222
THR A 223
TRP A 233
 CL  A 401 (-4.2A)
None
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
 0.31A 4xiwB-2w2jA:
25.3
4xiwE-2w2jA:
25.7		 4xiwB-2w2jA:
30.90
4xiwE-2w2jA:
30.90
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.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLU A 213
LEU A 130
THR A 127
THR A 126
VAL A 242
 None
 0.82A 4xiwB-2yv3A:
undetectable
4xiwE-2yv3A:
undetectable		 4xiwB-2yv3A:
20.63
4xiwE-2yv3A:
20.63
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 GLN A  92
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
 None
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
 0.38A 4xiwB-2zncA:
25.5
4xiwE-2zncA:
25.5		 4xiwB-2zncA:
34.20
4xiwE-2zncA:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 4.8A)
None
None
ZN  A   1 ( 4.7A)
None
 0.83A 4xiwB-2zncA:
25.5
4xiwE-2zncA:
25.5		 4xiwB-2zncA:
34.20
4xiwE-2zncA:
34.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 1.34A 4xiwB-2zncA:
25.5
4xiwE-2zncA:
25.5		 4xiwB-2zncA:
34.20
4xiwE-2zncA:
34.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3avs LYSINE-SPECIFIC
DEMETHYLASE 6A

(Homo sapiens) 		PF02373
(JmjC) 		5 GLU A1202
VAL A1176
LEU A1200
VAL A1169
PRO A1170
 None
 1.16A 4xiwB-3avsA:
undetectable
4xiwE-3avsA:
undetectable		 4xiwB-3avsA:
18.92
4xiwE-3avsA:
18.92
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) 		8 GLN A 115
HIS A 163
HIS A 165
GLU A 169
HIS A 182
LEU A 259
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
None
ZN  A 378 ( 4.5A)
None
 1.05A 4xiwB-3b1bA:
26.5
4xiwE-3b1bA:
26.6		 4xiwB-3b1bA:
25.52
4xiwE-3b1bA:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		10 GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
LEU A 259
THR A 260
THR A 261
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
None
None
 0.27A 4xiwB-3b1bA:
26.5
4xiwE-3b1bA:
26.6		 4xiwB-3b1bA:
25.52
4xiwE-3b1bA:
25.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  93
HIS A  95
HIS A  97
GLU A 107
LEU A 199
THR A 200
 4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.92A 4xiwB-3da2A:
25.7
4xiwE-3da2A:
25.7		 4xiwB-3da2A:
30.74
4xiwE-3da2A:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  95
HIS A  97
GLU A 107
HIS A 120
VAL A 122
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 0.52A 4xiwB-3da2A:
25.7
4xiwE-3da2A:
25.7		 4xiwB-3da2A:
30.74
4xiwE-3da2A:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A 109
HIS A 111
GLU A 136
HIS A 138
VAL A 140
TRP A 230
 None
MG  A 901 (-3.4A)
None
MG  A 901 (-3.2A)
None
None
 1.40A 4xiwB-3fe4A:
24.4
4xiwE-3fe4A:
24.4		 4xiwB-3fe4A:
32.30
4xiwE-3fe4A:
32.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 GLN A 109
HIS A 111
HIS A 113
GLU A 125
HIS A 138
VAL A 140
LEU A 219
THR A 220
TRP A 230
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 ( 4.4A)
MG  A 901 (-3.2A)
None
None
None
None
 0.72A 4xiwB-3fe4A:
24.4
4xiwE-3fe4A:
24.4		 4xiwB-3fe4A:
32.30
4xiwE-3fe4A:
32.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLU A 125
LEU A 219
THR A 220
THR A 221
TRP A 230
 MG  A 901 ( 4.4A)
None
None
None
None
 0.68A 4xiwB-3fe4A:
24.4
4xiwE-3fe4A:
24.4		 4xiwB-3fe4A:
32.30
4xiwE-3fe4A:
32.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 129
GLU A 141
LEU A 235
THR A 236
TRP A 246
VAL A 170
 None
 0.94A 4xiwB-3jxfA:
25.5
4xiwE-3jxfA:
25.4		 4xiwB-3jxfA:
26.24
4xiwE-3jxfA:
26.24
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		5 HIS A  66
VAL A  53
LEU A  68
VAL A 125
PRO A 126
 None
 1.08A 4xiwB-3l12A:
undetectable
4xiwE-3l12A:
undetectable		 4xiwB-3l12A:
20.95
4xiwE-3l12A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  67
HIS A  94
HIS A  96
GLU A 106
LEU A 198
THR A 199
THR A 200
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
 1.08A 4xiwB-3ml5A:
25.9
4xiwE-3ml5A:
25.8		 4xiwB-3ml5A:
34.91
4xiwE-3ml5A:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
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
 AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
 0.29A 4xiwB-3ml5A:
25.9
4xiwE-3ml5A:
25.8		 4xiwB-3ml5A:
34.91
4xiwE-3ml5A:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 GLN A 102
HIS A 123
HIS A 125
GLU A 129
HIS A 142
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.12A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
GLU A 140
HIS A 142
VAL A 144
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
None
ZN  A   1 ( 3.2A)
None
MLT  A   3 (-4.9A)
 1.48A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		5 GLN A 121
HIS A 123
GLU A 140
VAL A 144
THR A 215
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
None
None
MLT  A   3 ( 4.3A)
 1.17A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		10 GLN A 121
HIS A 123
HIS A 125
GLU A 129
HIS A 142
VAL A 144
LEU A 214
THR A 215
THR A 216
TRP A 225
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
MLT  A   3 (-4.9A)
 0.39A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
HIS A 125
VAL A 144
LEU A 214
THR A 215
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.49A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 HIS A 125
GLU A 129
VAL A 154
LEU A 214
THR A 215
THR A 216
 ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.88A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 HIS A 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)
 1.35A 4xiwB-3q31A:
23.1
4xiwE-3q31A:
23.2		 4xiwB-3q31A:
32.09
4xiwE-3q31A:
32.09
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 HIS A 490
HIS A 457
LEU A 389
VAL A 395
PRO A 396
 None
GBL  A1251 (-4.2A)
None
None
None
 1.06A 4xiwB-3sfzA:
undetectable
4xiwE-3sfzA:
undetectable		 4xiwB-3sfzA:
10.83
4xiwE-3sfzA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 HIS A 490
HIS A 457
LEU A 389
VAL A 395
PRO A 396
 None
GBL  A1251 (-4.2A)
None
None
None
 1.19A 4xiwB-3sfzA:
undetectable
4xiwE-3sfzA:
undetectable		 4xiwB-3sfzA:
10.83
4xiwE-3sfzA:
10.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 GLN A  92
HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
THR A 198
THR A 199
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
None
 0.46A 4xiwB-3uyqA:
25.8
4xiwE-3uyqA:
26.0		 4xiwB-3uyqA:
31.05
4xiwE-3uyqA:
31.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
GLU A 106
VAL A 142
THR A 198
THR A 199
 ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
None
ZN  A 261 ( 4.4A)
None
 0.70A 4xiwB-3uyqA:
25.8
4xiwE-3uyqA:
26.0		 4xiwB-3uyqA:
31.05
4xiwE-3uyqA:
31.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 HIS A  97
LEU A 163
THR A 166
VAL A 211
PRO A 128
 ZN  A 902 ( 3.3A)
None
None
None
None
 1.20A 4xiwB-3wx7A:
undetectable
4xiwE-3wx7A:
undetectable		 4xiwB-3wx7A:
18.25
4xiwE-3wx7A:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		7 GLN A  67
HIS A  89
HIS A  91
GLU A  95
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.6A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 1.12A 4xiwB-4g7aA:
27.9
4xiwE-4g7aA:
28.1		 4xiwB-4g7aA:
32.71
4xiwE-4g7aA:
32.71
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 GLN A  87
HIS A  89
HIS A  91
GLU A  95
HIS A 108
VAL A 110
LEU A 173
THR A 174
THR A 175
TRP A 184
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
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
 0.22A 4xiwB-4g7aA:
27.9
4xiwE-4g7aA:
28.1		 4xiwB-4g7aA:
32.71
4xiwE-4g7aA:
32.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ghk GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 VAL A 403
LEU A 408
THR A 409
VAL A 203
PRO A 204
 None
 1.06A 4xiwB-4ghkA:
undetectable
4xiwE-4ghkA:
undetectable		 4xiwB-4ghkA:
20.54
4xiwE-4ghkA:
20.54
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.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 HIS A 101
GLU A 103
HIS A  56
THR A  63
VAL A 257
 FE  A1001 (-3.3A)
FE  A1001 (-3.0A)
FE  A1001 (-3.4A)
FE  A1001 ( 4.8A)
None
 1.05A 4xiwB-4gulA:
undetectable
4xiwE-4gulA:
undetectable		 4xiwB-4gulA:
21.69
4xiwE-4gulA:
21.69
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 GLN A  92
HIS A  94
GLU A 117
HIS A 119
VAL A 121
TRP A 209
 None
ZN  A 301 (-3.2A)
None
ZN  A 301 (-3.1A)
None
None
 1.48A 4xiwB-4qk3A:
26.5
4xiwE-4qk3A:
26.9		 4xiwB-4qk3A:
34.85
4xiwE-4qk3A:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A  92
HIS A  94
GLU A 117
VAL A 121
THR A 199
 None
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 1.13A 4xiwB-4qk3A:
26.5
4xiwE-4qk3A:
26.9		 4xiwB-4qk3A:
34.85
4xiwE-4qk3A:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
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
 None
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
 0.33A 4xiwB-4qk3A:
26.5
4xiwE-4qk3A:
26.9		 4xiwB-4qk3A:
34.85
4xiwE-4qk3A:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
None
None
ZN  A 301 ( 4.4A)
None
 0.91A 4xiwB-4qk3A:
26.5
4xiwE-4qk3A:
26.9		 4xiwB-4qk3A:
34.85
4xiwE-4qk3A:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 119
HIS A  96
VAL A 143
LEU A 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
 1.40A 4xiwB-4qk3A:
26.5
4xiwE-4qk3A:
26.9		 4xiwB-4qk3A:
34.85
4xiwE-4qk3A:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
GLU A 101
VAL A 116
THR A 183
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-4.2A)
ASC  A 303 (-3.4A)
ASC  A 303 (-4.3A)
 0.31A 4xiwB-4twlA:
26.1
4xiwE-4twlA:
26.0		 4xiwB-4twlA:
34.50
4xiwE-4twlA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		10 GLN A 110
HIS A 112
HIS A 114
GLU A 118
HIS A 131
VAL A 133
LEU A 197
THR A 198
THR A 199
TRP A 208
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
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
 0.26A 4xiwB-4uovA:
28.7
4xiwE-4uovA:
28.9		 4xiwB-4uovA:
37.74
4xiwE-4uovA:
37.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		7 GLN A  67
HIS A  89
HIS A  91
GLU A  95
LEU A 173
THR A 174
THR A 175
 None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.5A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 1.10A 4xiwB-4x5sA:
29.0
4xiwE-4x5sA:
29.3		 4xiwB-4x5sA:
37.25
4xiwE-4x5sA:
37.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		10 GLN A  87
HIS A  89
HIS A  91
GLU A  95
HIS A 108
VAL A 110
LEU A 173
THR A 174
THR A 175
TRP A 184
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
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
 0.22A 4xiwB-4x5sA:
29.0
4xiwE-4x5sA:
29.3		 4xiwB-4x5sA:
37.25
4xiwE-4x5sA:
37.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 HIS A  89
HIS A  91
VAL A 120
LEU A 173
THR A 175
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 1.11A 4xiwB-4x5sA:
29.0
4xiwE-4x5sA:
29.3		 4xiwB-4x5sA:
37.25
4xiwE-4x5sA:
37.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		8 HIS A 110
HIS A 112
GLU A 116
HIS A 129
VAL A 131
LEU A 190
THR A 191
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 (-4.9A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
None
 0.47A 4xiwB-4xfwA:
26.0
4xiwE-4xfwA:
25.8		 4xiwB-4xfwA:
33.33
4xiwE-4xfwA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 GLN A 138
HIS A 160
HIS A 162
GLU A 166
LEU A 253
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 ( 4.7A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 1.00A 4xiwB-4xixA:
41.7
4xiwE-4xixA:
40.7		 4xiwB-4xixA:
100.00
4xiwE-4xixA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		10 GLN A 158
HIS A 160
HIS A 162
GLU A 166
HIS A 179
VAL A 181
LEU A 253
THR A 254
THR A 255
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
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
 0.29A 4xiwB-4xixA:
41.7
4xiwE-4xixA:
40.7		 4xiwB-4xixA:
100.00
4xiwE-4xixA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 HIS A 162
GLU A 166
VAL A 192
LEU A 253
THR A 254
THR A 255
 ZN  A 401 ( 3.2A)
2HP  A 402 ( 4.7A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 1.01A 4xiwB-4xixA:
41.7
4xiwE-4xixA:
40.7		 4xiwB-4xixA:
100.00
4xiwE-4xixA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		10 GLN A 163
HIS A 165
HIS A 167
GLU A 171
HIS A 184
VAL A 186
LEU A 251
THR A 252
THR A 253
TRP A 262
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
None
 0.33A 4xiwB-4xz5A:
28.5
4xiwE-4xz5A:
28.5		 4xiwB-4xz5A:
40.80
4xiwE-4xz5A:
40.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		6 HIS A 167
GLU A 171
VAL A 196
LEU A 251
THR A 252
THR A 253
 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)
 0.88A 4xiwB-4xz5A:
28.5
4xiwE-4xz5A:
28.5		 4xiwB-4xz5A:
40.80
4xiwE-4xz5A:
40.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		6 HIS A 184
HIS A 167
VAL A 196
LEU A 251
THR A 252
THR A 253
 ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 1.42A 4xiwB-4xz5A:
28.5
4xiwE-4xz5A:
28.5		 4xiwB-4xz5A:
40.80
4xiwE-4xz5A:
40.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 GLU A 300
LEU A  80
THR A  77
THR A  76
VAL A 426
 GOL  A1565 ( 4.5A)
None
None
None
None
 1.11A 4xiwB-5a4jA:
undetectable
4xiwE-5a4jA:
undetectable		 4xiwB-5a4jA:
16.85
4xiwE-5a4jA:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  67
HIS A  94
HIS A  96
GLU A 106
LEU A 198
THR A 199
THR A 200
 GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 1.07A 4xiwB-5cjfA:
26.1
4xiwE-5cjfA:
26.3		 4xiwB-5cjfA:
30.34
4xiwE-5cjfA:
30.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		10 GLN A  92
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
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
 0.24A 4xiwB-5cjfA:
26.1
4xiwE-5cjfA:
26.3		 4xiwB-5cjfA:
30.34
4xiwE-5cjfA:
30.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		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)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 1.45A 4xiwB-5cjfA:
26.1
4xiwE-5cjfA:
26.3		 4xiwB-5cjfA:
30.34
4xiwE-5cjfA:
30.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A 151
GLU A 162
LEU A 256
THR A 257
THR A 258
TRP A 267
 None
 0.28A 4xiwB-5e5uA:
25.1
4xiwE-5e5uA:
25.0		 4xiwB-5e5uA:
30.07
4xiwE-5e5uA:
30.07
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 GLN X  91
HIS X  93
GLU X 116
HIS X 118
VAL X 120
TRP X 207
 None
ZN  X 301 (-3.2A)
None
ZN  X 301 (-3.1A)
None
None
 1.48A 4xiwB-5eztX:
26.1
4xiwE-5eztX:
26.4		 4xiwB-5eztX:
33.83
4xiwE-5eztX:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 GLN X  91
HIS X  93
GLU X 116
VAL X 120
THR X 197
 None
ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
 1.16A 4xiwB-5eztX:
26.1
4xiwE-5eztX:
26.4		 4xiwB-5eztX:
33.83
4xiwE-5eztX:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		10 GLN X  91
HIS X  93
HIS X  95
GLU X 105
HIS X 118
VAL X 120
LEU X 196
THR X 197
THR X 198
TRP X 207
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
None
None
ZN  X 301 ( 4.4A)
None
None
 0.37A 4xiwB-5eztX:
26.1
4xiwE-5eztX:
26.4		 4xiwB-5eztX:
33.83
4xiwE-5eztX:
33.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha8 ISOCHORISMATASE

(Microbacterium
hydrocarbonoxydans) 		PF00857
(Isochorismatase) 		5 HIS A 100
VAL A 102
LEU A 178
VAL A  44
PRO A  45
 None
 1.13A 4xiwB-5ha8A:
undetectable
4xiwE-5ha8A:
undetectable		 4xiwB-5ha8A:
22.54
4xiwE-5ha8A:
22.54
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 GLN A  94
HIS A  96
HIS A  98
GLU A 102
HIS A 115
VAL A 117
LEU A 181
THR A 182
THR A 183
TRP A 192
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
None
None
 0.39A 4xiwB-5hpjA:
27.6
4xiwE-5hpjA:
28.0		 4xiwB-5hpjA:
36.55
4xiwE-5hpjA:
36.55
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 HIS A 399
HIS A 435
LEU A 374
VAL A 491
PRO A 492
 None
 1.12A 4xiwB-5ip9A:
undetectable
4xiwE-5ip9A:
undetectable		 4xiwB-5ip9A:
8.09
4xiwE-5ip9A:
8.09
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 LEU A 134
THR A 131
THR A 130
VAL A  86
PRO A  85
 None
None
KCX  A 129 ( 3.9A)
None
None
 0.93A 4xiwB-5j84A:
undetectable
4xiwE-5j84A:
undetectable		 4xiwB-5j84A:
18.29
4xiwE-5j84A:
18.29
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 GLN A  92
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
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
 0.33A 4xiwB-5jn9A:
25.7
4xiwE-5jn9A:
25.8		 4xiwB-5jn9A:
34.89
4xiwE-5jn9A:
34.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 200
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.9A)
 1.16A 4xiwB-5jn9A:
25.7
4xiwE-5jn9A:
25.8		 4xiwB-5jn9A:
34.89
4xiwE-5jn9A:
34.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 5 GLU A  79
LEU B 562
THR B 558
VAL B 579
PRO B 580
 None
 1.05A 4xiwB-5oarA:
undetectable
4xiwE-5oarA:
undetectable		 4xiwB-5oarA:
15.74
4xiwE-5oarA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj0 POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		no annotation 5 VAL A 209
LEU A 170
THR A 169
VAL A 238
PRO A 239
 None
BFD  A 165 ( 3.5A)
BFD  A 165 ( 3.6A)
None
None
 1.04A 4xiwB-5uj0A:
undetectable
4xiwE-5uj0A:
undetectable		 4xiwB-5uj0A:
19.18
4xiwE-5uj0A:
19.18
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLU A  57
VAL A  62
LEU A  54
THR A  55
VAL A  98
 SAH  A 502 (-3.7A)
None
None
SAH  A 502 (-2.7A)
None
 1.20A 4xiwB-5utuA:
undetectable
4xiwE-5utuA:
undetectable		 4xiwB-5utuA:
18.49
4xiwE-5utuA:
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.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 HIS A 498
VAL A 591
LEU A 551
THR A 548
THR A 547
 None
 1.16A 4xiwB-5zqzA:
undetectable
4xiwE-5zqzA:
undetectable		 4xiwB-5zqzA:
14.23
4xiwE-5zqzA:
14.23
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 HIS A 105
GLU A 107
HIS A  61
THR A  68
VAL A 264
 MN  A 303 (-3.4A)
MN  A 303 ( 2.9A)
MN  A 303 ( 3.3A)
MN  A 303 ( 4.9A)
None
 1.03A 4xiwB-6d0pA:
undetectable
4xiwE-6d0pA:
undetectable		 4xiwB-6d0pA:
15.90
4xiwE-6d0pA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 GLN A 115
HIS A 117
GLU A 134
HIS A 136
VAL A 138
TRP A 212
 None
ZN  A 301 (-3.3A)
None
ZN  A 301 (-3.2A)
None
None
 1.44A 4xiwB-6ekiA:
28.8
4xiwE-6ekiA:
29.0		 4xiwB-6ekiA:
16.90
4xiwE-6ekiA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 GLN A 115
HIS A 117
GLU A 134
VAL A 138
THR A 202
 None
ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.4A)
 1.18A 4xiwB-6ekiA:
28.8
4xiwE-6ekiA:
29.0		 4xiwB-6ekiA:
16.90
4xiwE-6ekiA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 10 GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
LEU A 201
THR A 202
THR A 203
TRP A 212
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
None
None
 0.27A 4xiwB-6ekiA:
28.8
4xiwE-6ekiA:
29.0		 4xiwB-6ekiA:
16.90
4xiwE-6ekiA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 HIS A 119
GLU A 123
VAL A 148
LEU A 201
THR A 203
 ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
None
None
None
 0.93A 4xiwB-6ekiA:
28.8
4xiwE-6ekiA:
29.0		 4xiwB-6ekiA:
16.90
4xiwE-6ekiA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 GLN A  92
HIS A  94
GLU A 117
HIS A 119
VAL A 121
TRP A 209
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
None
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
 1.49A 4xiwB-6fe1A:
26.3
4xiwE-6fe1A:
26.6		 4xiwB-6fe1A:
17.14
4xiwE-6fe1A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 10 GLN A  92
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
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
 0.37A 4xiwB-6fe1A:
26.3
4xiwE-6fe1A:
26.6		 4xiwB-6fe1A:
17.14
4xiwE-6fe1A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 5 HIS A  96
VAL A 143
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.85A 4xiwB-6fe1A:
26.3
4xiwE-6fe1A:
26.6		 4xiwB-6fe1A:
17.14
4xiwE-6fe1A:
17.14