SIMILAR PATTERNS OF AMINO ACIDS FOR 3CZV_B_AZMB263_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.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)


(Rhodococcus
jostii)
PF12697
(Abhydrolase_6)
5 GLN A  91
VAL A  32
LEU A 119
THR A 116
VAL A 115
None
1.28A 3czvB-1c4xA:
undetectable
3czvB-1c4xA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)


(Hepacivirus C)
PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD)
5 GLN A  41
VAL A 707
THR A  54
VAL A  55
TRP A  85
None
1.31A 3czvB-1cu1A:
undetectable
3czvB-1cu1A:
17.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII


(Homo sapiens)
PF00194
(Carb_anhydrase)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
0.19A 3czvB-1jd0A:
36.4
3czvB-1jd0A:
36.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jd0 CARBONIC ANHYDRASE
XII


(Homo sapiens)
PF00194
(Carb_anhydrase)
5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
ZN  A 901 ( 3.1A)
ZN  A 901 ( 3.2A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
1.39A 3czvB-1jd0A:
36.4
3czvB-1jd0A:
36.23
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  69
HIS A  92
HIS A  94
HIS A 111
THR A 177
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
0.97A 3czvB-1kopA:
30.2
3czvB-1kopA:
32.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae)
PF00194
(Carb_anhydrase)
9 GLN A  90
HIS A  92
HIS A  94
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
TRP A 187
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
0.50A 3czvB-1kopA:
30.2
3czvB-1kopA:
32.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV


(Mus musculus)
PF00194
(Carb_anhydrase)
6 GLN A  67
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
0.95A 3czvB-1rj6A:
37.0
3czvB-1rj6A:
37.17
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 GLN A  67
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
1.24A 3czvB-1rj6A:
37.0
3czvB-1rj6A:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV


(Mus musculus)
PF00194
(Carb_anhydrase)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
0.38A 3czvB-1rj6A:
37.0
3czvB-1rj6A:
37.17
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 GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 200
AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
1.48A 3czvB-1rj6A:
37.0
3czvB-1rj6A:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV


(Mus musculus)
PF00194
(Carb_anhydrase)
5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
ZN  A 601 ( 3.2A)
ZN  A 601 (-3.3A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
1.43A 3czvB-1rj6A:
37.0
3czvB-1rj6A:
37.17
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
HIS A  94
HIS A  96
HIS A 119
LEU A 198
THR A 199
None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
1.15A 3czvB-1urtA:
37.4
3czvB-1urtA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus)
PF00194
(Carb_anhydrase)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
0.51A 3czvB-1urtA:
37.4
3czvB-1urtA:
46.39
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)
5 HIS A  96
HIS A 119
LEU A 198
THR A 199
TRP A 209
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
1.48A 3czvB-1urtA:
37.4
3czvB-1urtA:
46.39
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)
5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
1.34A 3czvB-1urtA:
37.4
3czvB-1urtA:
46.39
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)


(Dunaliella
salina)
PF00194
(Carb_anhydrase)
9 GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
0.40A 3czvB-1y7wA:
25.8
3czvB-1y7wA:
29.08
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)


(Dunaliella
salina)
PF00194
(Carb_anhydrase)
5 HIS A 117
HIS A 115
VAL A 137
LEU A 216
THR A 217
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.2A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
1.44A 3czvB-1y7wA:
25.8
3czvB-1y7wA:
29.08
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.
1zp2 RNA POLYMERASE II
HOLOENZYME
CYCLIN-LIKE SUBUNIT


(Schizosaccharomyces
pombe)
PF00134
(Cyclin_N)
5 HIS A 137
VAL A  89
LEU A  59
THR A  55
VAL A  58
None
1.36A 3czvB-1zp2A:
undetectable
3czvB-1zp2A:
21.23
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
HIS A 119
VAL A 143
LEU A 198
THR A 199
TRP A 209
None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
0.39A 3czvB-2it4A:
42.3
3czvB-2it4A:
60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 HIS A  94
HIS A 119
VAL A 143
LEU A 198
TRP A 209
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
None
1.50A 3czvB-2it4A:
42.3
3czvB-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
HIS A 141
LEU A 222
THR A 223
TRP A 233
CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
0.25A 3czvB-2w2jA:
36.8
3czvB-2w2jA:
38.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV


(Mus musculus)
PF00194
(Carb_anhydrase)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
None
ZN  A   1 ( 4.7A)
None
0.44A 3czvB-2zncA:
31.1
3czvB-2zncA:
33.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV


(Mus musculus)
PF00194
(Carb_anhydrase)
5 HIS A  94
HIS A 119
VAL A 143
LEU A 198
TRP A 209
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
None
None
None
1.44A 3czvB-2zncA:
31.1
3czvB-2zncA:
33.21
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 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
1.30A 3czvB-2zncA:
31.1
3czvB-2zncA:
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
5 GLN A 115
HIS A 163
HIS A 165
HIS A 182
THR A 260
None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
0.92A 3czvB-3b1bA:
25.5
3czvB-3b1bA:
24.48
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
9 GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
TRP A 270
None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
None
None
ZN  A 378 ( 4.5A)
None
0.48A 3czvB-3b1bA:
25.5
3czvB-3b1bA:
24.48
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
5 HIS A 165
HIS A 163
VAL A 184
LEU A 259
THR A 260
ZN  A 378 (-3.3A)
ZN  A 378 (-3.2A)
None
None
ZN  A 378 ( 4.5A)
1.42A 3czvB-3b1bA:
25.5
3czvB-3b1bA:
24.48
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
5 HIS A 165
HIS A 182
LEU A 259
THR A 260
TRP A 270
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
None
ZN  A 378 ( 4.5A)
None
1.50A 3czvB-3b1bA:
25.5
3czvB-3b1bA:
24.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13


(Homo sapiens)
PF00194
(Carb_anhydrase)
10 GLN A  93
HIS A  95
HIS A  97
HIS A 120
VAL A 122
VAL A 144
LEU A 199
THR A 200
VAL A 201
TRP A 210
4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.2A)
None
0.65A 3czvB-3da2A:
45.9
3czvB-3da2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13


(Homo sapiens)
PF00194
(Carb_anhydrase)
5 HIS A  95
HIS A  97
VAL A 144
LEU A 199
VAL A 201
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 ( 4.2A)
1.29A 3czvB-3da2A:
45.9
3czvB-3da2A:
100.00
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
VAL A 201
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
4MD  A 401 ( 4.2A)
0.94A 3czvB-3da2A:
45.9
3czvB-3da2A:
100.00
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 120
HIS A  97
VAL A 144
LEU A 199
VAL A 201
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 ( 4.2A)
1.40A 3czvB-3da2A:
45.9
3czvB-3da2A:
100.00
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)
8 GLN A 109
HIS A 111
HIS A 113
HIS A 138
VAL A 140
VAL A 161
LEU A 219
TRP A 230
None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
0.67A 3czvB-3fe4A:
30.7
3czvB-3fe4A:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens)
PF00194
(Carb_anhydrase)
8 HIS A 111
HIS A 113
HIS A 138
VAL A 140
VAL A 161
LEU A 219
THR A 220
TRP A 230
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
None
0.68A 3czvB-3fe4A:
30.7
3czvB-3fe4A:
33.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2h PUTATIVE SUGAR
PHOSPHATE ISOMERASE


(Acidithiobacillus
ferrooxidans)
PF07883
(Cupin_2)
5 HIS A 104
HIS A  62
VAL A  71
VAL A 118
THR A  59
EDO  A 167 (-4.0A)
EDO  A 167 (-4.2A)
None
EDO  A 167 ( 4.9A)
EDO  A 167 ( 3.9A)
1.15A 3czvB-3l2hA:
undetectable
3czvB-3l2hA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l40 BRCT-CONTAINING
PROTEIN 1


(Schizosaccharomyces
pombe)
PF16770
(RTT107_BRCT_5)
5 VAL A 777
VAL A 823
LEU A 855
THR A 858
VAL A 859
None
0.96A 3czvB-3l40A:
undetectable
3czvB-3l40A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 GLN A  67
HIS A  94
HIS A  96
HIS A 119
THR A 199
None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-3.4A)
0.99A 3czvB-3ml5A:
42.6
3czvB-3ml5A:
52.99
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)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
None
0.41A 3czvB-3ml5A:
42.6
3czvB-3ml5A:
52.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oh8 NUCLEOSIDE-DIPHOSPHA
TE SUGAR EPIMERASE
(SULA FAMILY)


(Corynebacterium
glutamicum)
PF01370
(Epimerase)
PF08338
(DUF1731)
5 GLN A 168
HIS A 172
VAL A 174
VAL A 150
LEU A 163
None
1.31A 3czvB-3oh8A:
undetectable
3czvB-3oh8A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
5 HIS A 141
HIS A 437
HIS A 503
VAL A 510
VAL A 112
CU  A 602 ( 3.3A)
CU  A 602 (-3.3A)
CU  A 602 ( 3.3A)
None
None
1.48A 3czvB-3ppsA:
undetectable
3czvB-3ppsA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
5 GLN A 102
HIS A 123
HIS A 125
HIS A 142
THR A 215
None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
0.95A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
5 GLN A 102
HIS A 123
HIS A 125
VAL A 144
THR A 215
None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.3A)
1.15A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
9 GLN A 121
HIS A 123
HIS A 125
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
TRP A 225
MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
0.54A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
5 HIS A 123
HIS A 125
VAL A 144
LEU A 214
THR A 215
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
1.17A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
5 HIS A 123
HIS A 142
VAL A 154
LEU A 214
TRP A 225
ZN  A   1 ( 3.2A)
ZN  A   1 ( 3.2A)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 (-4.9A)
1.47A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
5 HIS A 125
HIS A 123
VAL A 144
LEU A 214
THR A 215
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
1.45A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae)
PF00194
(Carb_anhydrase)
5 HIS A 142
HIS A 125
VAL A 154
LEU A 214
THR A 215
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)
1.33A 3czvB-3q31A:
24.4
3czvB-3q31A:
27.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens)
PF00194
(Carb_anhydrase)
8 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 142
THR A 198
TRP A 208
None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
0.51A 3czvB-3uyqA:
41.5
3czvB-3uyqA:
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.
4dgk PHYTOENE
DEHYDROGENASE


(Pantoea
ananatis)
PF01593
(Amino_oxidase)
5 HIS A 322
HIS A 353
HIS A 323
VAL A 213
THR A  55
None
EDO  A 602 (-3.8A)
None
None
None
1.27A 3czvB-4dgkA:
undetectable
3czvB-4dgkA:
20.36
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.
4dgk PHYTOENE
DEHYDROGENASE


(Pantoea
ananatis)
PF01593
(Amino_oxidase)
5 HIS A 322
HIS A 353
VAL A  83
VAL A 213
THR A  55
None
EDO  A 602 (-3.8A)
EDO  A 601 ( 3.9A)
None
None
1.36A 3czvB-4dgkA:
undetectable
3czvB-4dgkA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE


(Sulfurihydrogenibium
sp. YO3AOP1)
PF00194
(Carb_anhydrase)
5 GLN A  67
HIS A  89
HIS A  91
HIS A 108
THR A 174
None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.4A)
0.98A 3czvB-4g7aA:
29.5
3czvB-4g7aA:
32.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g7a CARBONATE
DEHYDRATASE


(Sulfurihydrogenibium
sp. YO3AOP1)
PF00194
(Carb_anhydrase)
9 GLN A  87
HIS A  89
HIS A  91
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
TRP A 184
AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
0.45A 3czvB-4g7aA:
29.5
3czvB-4g7aA:
32.28
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.
4p9g 2,4'-DIHYDROXYACETOP
HENONE DIOXYGENASE


(Alcaligenes sp.)
PF07883
(Cupin_2)
5 HIS A 114
HIS A  76
HIS A  78
VAL A  82
VAL A  73
FE  A 401 ( 3.2A)
FE  A 401 ( 3.1A)
FE  A 401 ( 3.1A)
None
None
1.45A 3czvB-4p9gA:
undetectable
3czvB-4p9gA:
19.71
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)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
0.40A 3czvB-4qk3A:
40.4
3czvB-4qk3A:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 HIS A  94
HIS A  96
VAL A 121
LEU A 198
THR A 199
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
1.10A 3czvB-4qk3A:
40.4
3czvB-4qk3A:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 HIS A  96
HIS A  94
VAL A 121
LEU A 198
THR A 199
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
1.39A 3czvB-4qk3A:
40.4
3czvB-4qk3A:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens)
PF00194
(Carb_anhydrase)
5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
ZN  A 301 (-3.1A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
1.38A 3czvB-4qk3A:
40.4
3czvB-4qk3A:
58.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twl DIOSCORIN 5

(Dioscorea
japonica)
PF00194
(Carb_anhydrase)
5 HIS A  97
VAL A 116
VAL A 126
THR A 183
TRP A 193
ASC  A 303 (-4.4A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
ASC  A 303 (-4.3A)
0.33A 3czvB-4twlA:
28.4
3czvB-4twlA:
28.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE


(Thermovibrio
ammonificans)
PF00194
(Carb_anhydrase)
9 GLN A 110
HIS A 112
HIS A 114
HIS A 131
VAL A 133
VAL A 143
LEU A 197
THR A 198
TRP A 208
CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
0.45A 3czvB-4uovA:
31.2
3czvB-4uovA:
35.13
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 GLN A  67
HIS A  89
HIS A  91
HIS A 108
THR A 174
None
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
0.96A 3czvB-4x5sA:
29.9
3czvB-4x5sA:
35.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)


(Sulfurihydrogenibium
azorense)
PF00194
(Carb_anhydrase)
9 GLN A  87
HIS A  89
HIS A  91
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
TRP A 184
AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
0.45A 3czvB-4x5sA:
29.9
3czvB-4x5sA:
35.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)


(Sulfurihydrogenibium
azorense)
PF00194
(Carb_anhydrase)
5 HIS A  91
HIS A  89
VAL A 110
LEU A 173
THR A 174
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
1.40A 3czvB-4x5sA:
29.9
3czvB-4x5sA:
35.06
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.
4xfw ALPHA-CARBONIC
ANHYDRASE


(Helicobacter
pylori)
PF00194
(Carb_anhydrase)
8 HIS A 110
HIS A 112
HIS A 129
VAL A 131
VAL A 141
LEU A 190
THR A 191
TRP A 201
ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.1A)
None
None
None
ZN  A 301 (-4.3A)
None
0.41A 3czvB-4xfwA:
26.7
3czvB-4xfwA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE


(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
5 GLN A 138
HIS A 160
HIS A 162
HIS A 179
THR A 254
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-2.9A)
0.95A 3czvB-4xixA:
26.0
3czvB-4xixA:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE


(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
9 GLN A 158
HIS A 160
HIS A 162
HIS A 179
VAL A 181
VAL A 192
LEU A 253
THR A 254
TRP A 264
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
0.46A 3czvB-4xixA:
26.0
3czvB-4xixA:
30.74
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 GLN A 158
HIS A 160
HIS A 162
VAL A 181
LEU A 253
THR A 255
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-3.6A)
1.47A 3czvB-4xixA:
26.0
3czvB-4xixA:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE


(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
5 HIS A 162
HIS A 179
LEU A 253
THR A 254
TRP A 264
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
1.48A 3czvB-4xixA:
26.0
3czvB-4xixA:
30.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY


(Hydrogenovibrio
crunogenus)
PF00194
(Carb_anhydrase)
5 GLN A 143
HIS A 165
HIS A 167
HIS A 184
THR A 252
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.7A)
1.05A 3czvB-4xz5A:
29.5
3czvB-4xz5A:
30.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY


(Hydrogenovibrio
crunogenus)
PF00194
(Carb_anhydrase)
9 GLN A 163
HIS A 165
HIS A 167
HIS A 184
VAL A 186
VAL A 196
LEU A 251
THR A 252
TRP A 262
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
0.48A 3czvB-4xz5A:
29.5
3czvB-4xz5A:
30.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY


(Hydrogenovibrio
crunogenus)
PF00194
(Carb_anhydrase)
5 HIS A 167
HIS A 184
LEU A 251
THR A 252
TRP A 262
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
1.46A 3czvB-4xz5A:
29.5
3czvB-4xz5A:
30.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY


(Hydrogenovibrio
crunogenus)
PF00194
(Carb_anhydrase)
5 HIS A 184
HIS A 167
VAL A 196
LEU A 251
THR A 252
ZN  A 401 ( 3.1A)
ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
1.38A 3czvB-4xz5A:
29.5
3czvB-4xz5A:
30.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bpx 2,4'-DIHYDROXYACETOP
HENONE DIOXYGENASE


(Alcaligenes sp.)
PF07883
(Cupin_2)
5 HIS A 114
HIS A  76
HIS A  78
VAL A  82
VAL A  73
FE  A 201 ( 3.2A)
FE  A 201 ( 3.1A)
FE  A 201 ( 3.2A)
None
None
1.46A 3czvB-5bpxA:
undetectable
3czvB-5bpxA:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14


(Homo sapiens)
PF00194
(Carb_anhydrase)
5 GLN A  67
HIS A  94
HIS A  96
HIS A 119
THR A 199
GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
0.97A 3czvB-5cjfA:
36.1
3czvB-5cjfA:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14


(Homo sapiens)
PF00194
(Carb_anhydrase)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
0.47A 3czvB-5cjfA:
36.1
3czvB-5cjfA:
37.78
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)
9 GLN X  91
HIS X  93
HIS X  95
HIS X 118
VAL X 120
VAL X 141
LEU X 196
THR X 197
TRP X 207
None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
0.44A 3czvB-5eztX:
42.5
3czvB-5eztX:
58.71
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.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE


(Thermus
thermophilus)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
5 HIS A 444
HIS A 398
HIS A 137
VAL A 448
VAL A 142
CU  A1463 (-3.0A)
CU  A1463 (-2.9A)
CU  A1463 (-3.3A)
None
None
1.28A 3czvB-5g3fA:
undetectable
3czvB-5g3fA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum)
PF00194
(Carb_anhydrase)
9 GLN A  94
HIS A  96
HIS A  98
HIS A 115
VAL A 117
VAL A 127
LEU A 181
THR A 182
TRP A 192
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
0.53A 3czvB-5hpjA:
28.9
3czvB-5hpjA:
30.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens)
PF00194
(Carb_anhydrase)
9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
None
0.41A 3czvB-5jn9A:
32.3
3czvB-5jn9A:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina)
no annotation 9 GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
TRP A 212
None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 (-4.4A)
None
0.45A 3czvB-6ekiA:
30.2
3czvB-6ekiA:
19.07
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
HIS A 136
LEU A 146
TRP A 212
None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
None
1.48A 3czvB-6ekiA:
30.2
3czvB-6ekiA:
19.07
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
HIS A 136
LEU A 201
THR A 202
TRP A 212
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
None
ZN  A 301 (-4.4A)
None
1.49A 3czvB-6ekiA:
30.2
3czvB-6ekiA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens)
no annotation 9 GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
0.39A 3czvB-6fe1A:
33.6
3czvB-6fe1A:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens)
no annotation 5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
1.33A 3czvB-6fe1A:
33.6
3czvB-6fe1A:
15.98
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.
6gnf -

(-)
no annotation 5 HIS A 181
VAL A 148
LEU A  27
THR A  24
VAL A  23
QPS  A 602 (-4.1A)
None
None
None
None
1.30A 3czvB-6gnfA:
undetectable
3czvB-6gnfA:
undetectable