POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		1jd0 CARBONIC ANHYDRASE
XII
(Homo
sapiens)		10 / 12ASN A  62
GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
None
AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
0.40A36.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		1jd0 CARBONIC ANHYDRASE
XII
(Homo
sapiens)		5 / 12HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
0.91A36.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		2it4 CARBONIC ANHYDRASE 1
(Homo
sapiens)		9 / 12HIS A  64
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
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
0.54A60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		2it4 CARBONIC ANHYDRASE 1
(Homo
sapiens)		6 / 12HIS A  64
HIS A  96
PHE A  91
LEU A 198
THR A 199
TRP A 209
None
ZN  A 561 ( 3.2A)
None
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
1.05A60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN
(Homo
sapiens)		5 / 12HIS 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
0.30A39.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3da2 CARBONIC ANHYDRASE
13
(Homo
sapiens)		5 / 12ASN A  68
HIS A  97
LEU A 199
THR A 200
TRP A 210
None
ZN  A 301 ( 3.5A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
1.03A60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3da2 CARBONIC ANHYDRASE
13
(Homo
sapiens)		6 / 12GLN A  93
HIS A  95
HIS A  97
PHE A 132
LEU A 199
THR A 200
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)
0.96A60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3da2 CARBONIC ANHYDRASE
13
(Homo
sapiens)		8 / 12HIS A  95
HIS A  97
HIS A 120
PHE A 132
VAL A 144
LEU A 199
THR A 200
TRP A 210
 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)
None
0.52A60.15
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		5 / 12GLN 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
0.99A20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3fe4 CARBONIC ANHYDRASE 6
(Homo
sapiens)		8 / 12ASN A  83
GLN A 109
HIS A 111
HIS A 113
HIS A 138
VAL A 161
THR A 220
TRP A 230
None
None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
0.62A34.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3fe4 CARBONIC ANHYDRASE 6
(Homo
sapiens)		8 / 12GLN A 109
HIS A 111
HIS A 113
HIS A 138
VAL A 161
LEU A 219
THR A 220
TRP A 230
None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
None
None
None
0.71A34.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA
(Homo
sapiens)		5 / 12HIS A 129
HIS A 142
PHE A 166
LEU A 235
THR A 236
None
0.82A30.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		11 / 12ASN A  62
GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 131
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
None
AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.1A)
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
0.34A55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		5 / 12GLN A  67
HIS A  94
HIS A  96
THR A 199
THR A 200
None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
1.06A55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		5 / 12GLN A  67
HIS A  96
VAL A 121
THR A 199
THR A 200
None
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
1.01A55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		6 / 12GLN A  92
HIS A  94
HIS A  96
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 (-4.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
1.37A55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		5 / 12HIS A  64
GLN A  67
VAL A 121
THR A 199
THR A 200
None
None
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
1.29A55.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		5 / 12HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 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)
0.97A55.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3u9j F-BOX/LRR-REPEAT
PROTEIN 5
(Homo
sapiens)		5 / 12ASN A  83
HIS A 126
HIS A  57
HIS A  15
VAL A 154
None
FE  A 200 (-3.5A)
FE  A 201 (-3.4A)
FE  A 201 (-3.3A)
None
0.83A20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		3uyq CARBONIC ANHYDRASE 3
(Homo
sapiens)		10 / 12ASN A  62
GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 130
VAL A 142
THR A 198
THR A 199
TRP A 208
None
None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
None
0.54A58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		12 / 12ASN A  62
HIS A  64
GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 131
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
None
None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
None
0.24A95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		5 / 12ASN A  67
HIS A  96
LEU A 198
THR A 199
THR A 200
None
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
0.94A95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		6 / 12HIS A  64
HIS A  94
VAL A 207
THR A 199
THR A 200
TRP A 209
None
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
None
1.47A95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		5 / 12HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
0.91A95.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		10 / 12ASN A  62
GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
GOL  A 303 (-3.9A)
GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
0.27A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		5 / 12GLN A  67
HIS A  94
HIS A  96
THR A 199
THR A 200
GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
1.08A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		5 / 12GLN A  67
HIS A  96
VAL A 121
THR A 199
THR A 200
GOL  A 303 (-3.4A)
ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
1.02A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		5 / 12HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
0.89A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		5jn9 CARBONIC ANHYDRASE 4
(Homo
sapiens)		11 / 12ASN A  62
HIS A  64
GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
None
None
EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
0.38A35.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		5jn9 CARBONIC ANHYDRASE 4
(Homo
sapiens)		5 / 12HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
1.09A35.42
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		6fe1 CARBONIC ANHYDRASE 9
(Homo
sapiens)		10 / 12ASN A  62
GLN A  92
HIS A  94
HIS A  96
HIS A 119
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
V14  A 302 (-3.4A)
V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
0.42A14.90
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		6fe1 CARBONIC ANHYDRASE 9
(Homo
sapiens)		5 / 12HIS A  96
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
1.13A14.90