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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		1jd0 CARBONIC ANHYDRASE
XII
(Homo
sapiens)		7 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
LEU A 198
THR A 200
AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
None
AZM  A1400 (-3.9A)
AZM  A1400 (-3.3A)
1.44A36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		1jd0 CARBONIC ANHYDRASE
XII
(Homo
sapiens)		10 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
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)
AZM  A1400 (-4.6A)
None
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
None
0.36A36.33
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2fdb FIBROBLAST GROWTH
FACTOR 8 ISOFORM B
(Homo
sapiens)		5 / 12ILE M 108
VAL M  99
LEU M  86
VAL M  88
THR M 139
None
0.98A19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2it4 CARBONIC ANHYDRASE 1
(Homo
sapiens)		8 / 12GLN A  92
HIS A  94
HIS A  96
LEU A 141
VAL A 143
LEU A 198
THR A 199
TRP A 209
None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
None
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
0.50A60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN
(Homo
sapiens)		5 / 12ILE A 153
HIS A 118
LEU A 222
THR A 223
TRP A 233
UNX  A 603 ( 4.9A)
CL  A 401 (-4.2A)
None
CL  A 401 ( 4.8A)
None
0.93A38.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3da2 CARBONIC ANHYDRASE
13
(Homo
sapiens)		6 / 12GLN A  93
HIS A  95
HIS A  97
LEU A 142
LEU A 199
THR A 200
4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
None
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
0.86A59.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3da2 CARBONIC ANHYDRASE
13
(Homo
sapiens)		8 / 12HIS A  95
HIS A  97
VAL A 122
LEU A 142
VAL A 144
LEU A 199
THR A 200
TRP A 210
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
None
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
0.40A59.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3fe4 CARBONIC ANHYDRASE 6
(Homo
sapiens)		9 / 12GLN A 109
HIS A 111
HIS A 113
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
TRP A 230
None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
None
None
0.65A34.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3fe4 CARBONIC ANHYDRASE 6
(Homo
sapiens)		7 / 12HIS A 111
HIS A 113
VAL A 140
LEU A 159
VAL A 161
LEU A 219
THR A 220
 MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
None
None
None
None
None
1.38A34.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3fe4 CARBONIC ANHYDRASE 6
(Homo
sapiens)		5 / 12LEU A 159
LEU A 219
THR A 220
THR A 221
TRP A 230
None
0.47A34.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3fm0 PROTEIN CIAO1
(Homo
sapiens)		5 / 12HIS A  60
LEU A 120
VAL A 111
LEU A 101
THR A 100
None
1.02A21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA
(Homo
sapiens)		5 / 12HIS A 129
LEU A 176
LEU A 235
THR A 236
TRP A 246
None
0.42A30.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		10 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
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)
AZM  A 264 (-4.7A)
None
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
None
0.21A55.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3ml5 CARBONIC ANHYDRASE 7
(Homo
sapiens)		6 / 12HIS A  96
LEU A 141
VAL A 121
LEU A 198
THR A 199
THR A 200
 ZN  A 263 ( 3.2A)
None
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.5A)
1.27A55.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		3uyq CARBONIC ANHYDRASE 3
(Homo
sapiens)		8 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 142
THR A 198
THR A 199
TRP A 208
None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
None
ZN  A 261 ( 4.4A)
None
None
0.39A58.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		8 / 12ILE A  91
GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
LEU A 198
THR A 199
None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 ( 4.4A)
1.34A95.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		11 / 12ILE A  91
GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
None
None
ZN  A 301 ( 4.4A)
None
None
0.24A95.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE
(Homo
sapiens)		5 / 12ILE A 478
VAL A 460
LEU A 458
LEU A 402
THR A 398
None
0.96A17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR
(Aplysia
californica;
Homo
sapiens)		6 / 12ILE A  78
VAL A 109
LEU A  65
VAL A 115
THR A  87
TRP A  60
None
1.22A20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		6 / 12GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
THR A 200
GOL  A 303 (-3.4A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
1.11A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		10 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
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)
520  A 302 ( 4.9A)
None
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
None
0.26A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5cjf CARBONIC ANHYDRASE
14
(Homo
sapiens)		6 / 12HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
None
520  A 302 (-3.6A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
1.29A36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5jn9 CARBONIC ANHYDRASE 4
(Homo
sapiens)		9 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209
EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
None
0.29A35.42
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5v8w INTEGRATOR COMPLEX
SUBUNIT 9
(Homo
sapiens)		5 / 12ILE A 635
LEU A 619
VAL A 617
LEU A 598
THR A 597
None
1.00A15.50
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens)		6 / 12HIS A 498
LEU A 587
VAL A 591
LEU A 551
THR A 548
THR A 547
None
1.30A16.86
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6fe1 CARBONIC ANHYDRASE 9
(Homo
sapiens)		10 / 12GLN A  92
HIS A  94
HIS A  96
VAL A 121
LEU A 141
VAL A 143
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 (-4.7A)
None
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
None
0.37A14.90
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		6fe1 CARBONIC ANHYDRASE 9
(Homo
sapiens)		6 / 12HIS A  96
VAL A 143
LEU A 141
LEU A 198
THR A 199
THR A 200
 ZN  A 301 ( 3.2A)
None
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
1.26A14.90