SIMILAR PATTERNS OF AMINO ACIDS FOR 3LXE_B_TORB262_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
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) 		8 SER A  65
GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
 0.50A 3lxeB-1jd0A:
35.8		 3lxeB-1jd0A:
37.08
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
LEU A 176
THR A 177
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 0.85A 3lxeB-1kopA:
29.7		 3lxeB-1kopA:
32.82
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  94
VAL A 113
LEU A 176
THR A 177
 None
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 1.11A 3lxeB-1kopA:
29.7		 3lxeB-1kopA:
32.82
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  90
HIS A  92
HIS A  94
VAL A 123
LEU A 176
THR A 177
TRP A 187
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 0.58A 3lxeB-1kopA:
29.7		 3lxeB-1kopA:
32.82
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 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 0.83A 3lxeB-1rj6A:
36.3		 3lxeB-1rj6A:
35.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.02A 3lxeB-1rj6A:
36.3		 3lxeB-1rj6A:
35.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
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)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.48A 3lxeB-1rj6A:
36.3		 3lxeB-1rj6A:
35.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  67
HIS A  94
HIS A  96
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
ZN  A 280 ( 4.9A)
None
 1.08A 3lxeB-1urtA:
36.8		 3lxeB-1urtA:
44.79
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 GLN A  67
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
 1.25A 3lxeB-1urtA:
36.8		 3lxeB-1urtA:
44.79
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) 		7 GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 0.54A 3lxeB-1urtA:
36.8		 3lxeB-1urtA:
44.79
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) 		7 GLN A 113
HIS A 115
HIS A 117
VAL A 153
LEU A 216
THR A 217
TRP A 227
 None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.45A 3lxeB-1y7wA:
25.1		 3lxeB-1y7wA:
30.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		5 HIS A 376
HIS A 345
PHE A 212
VAL A 264
LEU A 314
 ZN  A 500 (-3.9A)
ZN  A 501 (-3.9A)
None
None
None
 1.49A 3lxeB-2ayiA:
undetectable		 3lxeB-2ayiA:
21.08
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) 		10 HIS A  64
SER A  65
PHE A  91
GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
None
None
None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.28A 3lxeB-2it4A:
46.3		 3lxeB-2it4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7j TRANSCRIPTION FACTOR
IIIA

(Xenopus laevis) 		PF00096
(zf-C2H2) 		5 HIS A  22
HIS A   5
LEU A  30
THR A  27
HIS A  26
 ZN  A1086 (-3.2A)
None
None
None
ZN  A1086 (-3.2A)
 1.50A 3lxeB-2j7jA:
undetectable		 3lxeB-2j7jA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		5 HIS A 336
PHE A 352
HIS A 302
VAL A 350
LEU A 340
 None
 1.24A 3lxeB-2ymuA:
undetectable		 3lxeB-2ymuA:
18.49
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) 		7 GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 0.52A 3lxeB-2zncA:
30.1		 3lxeB-2zncA:
32.97
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  96
VAL A 121
LEU A 198
THR A 199
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
 1.11A 3lxeB-2zncA:
30.1		 3lxeB-2zncA:
32.97
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 GLN A 115
HIS A 163
HIS A 165
LEU A 259
THR A 260
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
ZN  A 378 ( 4.5A)
None
 0.85A 3lxeB-3b1bA:
25.0		 3lxeB-3b1bA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLN A 115
HIS A 165
VAL A 184
LEU A 259
THR A 260
 None
ZN  A 378 (-3.3A)
None
None
ZN  A 378 ( 4.5A)
 1.07A 3lxeB-3b1bA:
25.0		 3lxeB-3b1bA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		7 GLN A 161
HIS A 163
HIS A 165
VAL A 201
LEU A 259
THR A 260
TRP A 270
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
None
None
ZN  A 378 ( 4.5A)
None
 0.52A 3lxeB-3b1bA:
25.0		 3lxeB-3b1bA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A  42
HIS A 163
VAL A 201
LEU A 259
TRP A 270
 None
ZN  A 378 (-3.2A)
None
None
None
 1.33A 3lxeB-3b1bA:
25.0		 3lxeB-3b1bA:
25.46
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  65
SER A  63
PHE A 132
VAL A 122
LEU A 199
 None
None
4MD  A 401 (-4.6A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
 1.18A 3lxeB-3da2A:
42.7		 3lxeB-3da2A:
59.54
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 PHE A 132
HIS A  97
VAL A 122
LEU A 199
THR A 200
 4MD  A 401 (-4.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 1.35A 3lxeB-3da2A:
42.7		 3lxeB-3da2A:
59.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 SER A  66
GLN A  93
HIS A  95
HIS A  97
VAL A 144
LEU A 199
THR A 200
 None
4MD  A 401 (-3.1A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.83A 3lxeB-3da2A:
42.7		 3lxeB-3da2A:
59.54
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 SER A  66
PHE A 132
HIS A  95
HIS A  97
VAL A 144
LEU A 199
THR A 200
TRP A 210
 None
4MD  A 401 (-4.6A)
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
None
 1.06A 3lxeB-3da2A:
42.7		 3lxeB-3da2A:
59.54
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 PHE A  90
GLN A  87
HIS A  84
HIS A 238
LEU A 306
 None
None
ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
 1.48A 3lxeB-3e0lA:
undetectable		 3lxeB-3e0lA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A 109
HIS A 111
HIS A 113
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
 0.82A 3lxeB-3fe4A:
30.4		 3lxeB-3fe4A:
34.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		5 HIS A  99
PHE A  28
HIS A  97
HIS A  46
VAL A  10
 NA  A 141 (-3.7A)
None
ZN  A 140 (-3.1A)
ZN  A 140 (-3.2A)
None
 1.35A 3lxeB-3l7xA:
undetectable		 3lxeB-3l7xA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 SER A 161
HIS A 130
PHE A 102
VAL A  89
TRP A  85
 None
 1.30A 3lxeB-3lscA:
undetectable		 3lxeB-3lscA:
20.09
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
LEU A 198
THR A 199
 None
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 0.87A 3lxeB-3ml5A:
40.7		 3lxeB-3ml5A:
50.56
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  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 1.16A 3lxeB-3ml5A:
40.7		 3lxeB-3ml5A:
50.56
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) 		8 SER A  65
GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
None
 0.58A 3lxeB-3ml5A:
40.7		 3lxeB-3ml5A:
50.56
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 SER A  65
PHE A 131
GLN A  92
HIS A  96
VAL A 143
THR A 199
TRP A 209
 None
AZM  A 264 (-4.4A)
AZM  A 264 (-4.1A)
ZN  A 263 ( 3.2A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
None
 1.20A 3lxeB-3ml5A:
40.7		 3lxeB-3ml5A:
50.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 505
HIS A 437
HIS A  94
VAL A 112
LEU A 564
 CU  A 603 ( 3.3A)
CU  A 602 (-3.3A)
CU  A 604 ( 3.1A)
None
None
 1.49A 3lxeB-3ppsA:
undetectable		 3lxeB-3ppsA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		7 GLN A 121
HIS A 123
HIS A 125
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)
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 0.55A 3lxeB-3q31A:
23.8		 3lxeB-3q31A:
28.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl9 CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 HIS A 223
VAL A 195
LEU A 218
THR A 217
HIS A 219
 None
 1.39A 3lxeB-3sl9A:
undetectable		 3lxeB-3sl9A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
VAL A 142
THR A 198
TRP A 208
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
None
ZN  A 261 ( 4.4A)
None
 0.55A 3lxeB-3uyqA:
41.2		 3lxeB-3uyqA:
54.23
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 376
PHE A 113
HIS A 381
VAL A 143
HIS A  84
 None
 1.37A 3lxeB-4f7kA:
undetectable		 3lxeB-4f7kA:
19.90
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  87
HIS A  89
HIS A  91
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)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
None
 0.49A 3lxeB-4g7aA:
28.9		 3lxeB-4g7aA:
31.71
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.
4huz 2,6-DICHLORO-P-HYDRO
QUINONE
1,2-DIOXYGENASE

(Sphingobium
chlorophenolicum) 		PF00903
(Glyoxalase) 		5 SER A 264
HIS A 227
PHE A  82
LEU A   9
HIS A  10
 SO4  A 402 ( 3.8A)
FE  A 401 ( 3.0A)
None
None
None
 1.35A 3lxeB-4huzA:
undetectable		 3lxeB-4huzA:
19.05
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.
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		5 SER A 165
HIS A 104
LEU A 190
THR A 191
HIS A 192
 None
LLP  A  61 ( 4.5A)
None
None
None
 1.29A 3lxeB-4kbxA:
undetectable		 3lxeB-4kbxA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		5 PHE A 331
GLN A 329
VAL A 305
HIS A 212
TRP A 202
 HEM  A 400 (-4.3A)
HEM  A 400 (-3.7A)
None
None
None
 1.05A 3lxeB-4mf9A:
undetectable		 3lxeB-4mf9A:
19.26
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.
4o5l FAB F045-092 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 215
HIS H 217
HIS H 218
HIS H 220
HIS H 219
 None
 1.44A 3lxeB-4o5lH:
undetectable		 3lxeB-4o5lH:
23.31
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) 		8 HIS A  64
GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
 0.59A 3lxeB-4qk3A:
39.8		 3lxeB-4qk3A:
58.85
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 PHE A 131
GLN A  92
HIS A  96
LEU A 198
THR A 199
TRP A 209
 None
None
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
None
 1.25A 3lxeB-4qk3A:
39.8		 3lxeB-4qk3A:
58.85
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 PHE A 131
GLN A  92
HIS A 119
LEU A 198
THR A 199
 None
None
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
 1.44A 3lxeB-4qk3A:
39.8		 3lxeB-4qk3A:
58.85
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 PHE A 131
HIS A  96
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
 1.36A 3lxeB-4qk3A:
39.8		 3lxeB-4qk3A:
58.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 185
PHE A 316
GLN A 320
HIS A 321
HIS A 343
 ZN  A 501 (-3.6A)
None
3PE  A 503 (-4.1A)
3PE  A 503 (-3.8A)
ZN  A 502 ( 3.6A)
 1.13A 3lxeB-4qn9A:
undetectable		 3lxeB-4qn9A:
20.50
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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 HIS A  69
HIS A  97
VAL A 126
THR A 183
TRP A 193
 None
ASC  A 303 (-4.4A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
ASC  A 303 (-4.3A)
 0.44A 3lxeB-4twlA:
28.2		 3lxeB-4twlA:
27.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		8 HIS A  87
GLN A 110
HIS A 112
HIS A 114
VAL A 143
LEU A 197
THR A 198
TRP A 208
 CL  A 304 ( 4.9A)
CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
 0.64A 3lxeB-4uovA:
30.5		 3lxeB-4uovA:
36.50
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  87
HIS A  89
HIS A  91
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)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
None
 0.49A 3lxeB-4x5sA:
29.2		 3lxeB-4x5sA:
38.10
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) 		5 HIS A  84
HIS A 112
VAL A 131
LEU A 190
THR A 191
 None
ZN  A 301 (-3.4A)
None
None
ZN  A 301 (-4.3A)
 0.98A 3lxeB-4xfwA:
25.8		 3lxeB-4xfwA:
29.63
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) 		6 HIS A 110
HIS A 112
VAL A 141
LEU A 190
THR A 191
TRP A 201
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
None
None
ZN  A 301 (-4.3A)
None
 0.44A 3lxeB-4xfwA:
25.8		 3lxeB-4xfwA:
29.63
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
LEU A 253
THR A 254
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
 0.74A 3lxeB-4xixA:
26.4		 3lxeB-4xixA:
32.10
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 162
VAL A 181
LEU A 253
THR A 254
 None
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
 0.95A 3lxeB-4xixA:
26.4		 3lxeB-4xixA:
32.10
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 158
HIS A 160
HIS A 162
VAL A 192
LEU A 253
THR A 254
TRP A 264
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
 0.54A 3lxeB-4xixA:
26.4		 3lxeB-4xixA:
32.10
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) 		7 GLN A 163
HIS A 165
HIS A 167
VAL A 196
LEU A 251
THR A 252
TRP A 262
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
 0.50A 3lxeB-4xz5A:
29.1		 3lxeB-4xz5A:
34.44
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  92
HIS A  94
HIS A  96
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)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
None
 0.49A 3lxeB-5cjfA:
35.9		 3lxeB-5cjfA:
34.70
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.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 PHE A 187
HIS A 151
LEU A 256
THR A 257
TRP A 267
 None
 0.63A 3lxeB-5e5uA:
32.8		 3lxeB-5e5uA:
29.20
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 VAL A 203
LEU A 263
THR A 259
HIS A 195
TRP A 205
 None
 1.32A 3lxeB-5eowA:
undetectable		 3lxeB-5eowA:
19.03
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 PHE X 129
HIS X  95
VAL X 120
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
 1.45A 3lxeB-5eztX:
42.1		 3lxeB-5eztX:
57.69
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) 		8 SER X  64
GLN X  91
HIS X  93
HIS X  95
VAL X 141
LEU X 196
THR X 197
TRP X 207
 None
None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
None
 0.52A 3lxeB-5eztX:
42.1		 3lxeB-5eztX:
57.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		7 SER X  64
PHE X 129
GLN X  91
HIS X  95
LEU X 196
THR X 197
TRP X 207
 None
None
None
ZN  X 301 (-3.2A)
None
ZN  X 301 ( 4.4A)
None
 1.26A 3lxeB-5eztX:
42.1		 3lxeB-5eztX:
57.69
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) 		7 GLN A  94
HIS A  96
HIS A  98
VAL A 127
LEU A 181
THR A 182
TRP A 192
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
 0.58A 3lxeB-5hpjA:
28.5		 3lxeB-5hpjA:
31.70
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 HIS A  64
SER A  65
GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 None
None
EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
None
 0.72A 3lxeB-5jn9A:
31.1		 3lxeB-5jn9A:
31.75
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLN A 263
HIS A 142
HIS A 143
LEU A 179
HIS A 201
 None
None
EDO  A 410 (-4.4A)
None
None
 1.33A 3lxeB-5vi6A:
undetectable		 3lxeB-5vi6A:
20.42
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 5 SER A 834
PHE A 895
VAL A 878
LEU A 778
THR A 775
 None
 1.34A 3lxeB-5yimA:
undetectable		 3lxeB-5yimA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yyl -

(-) 		no annotation 5 SER A 429
PHE A 318
VAL A 344
LEU A  31
HIS A 431
 None
 1.43A 3lxeB-5yylA:
undetectable		 3lxeB-5yylA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 7 GLN A 115
HIS A 117
HIS A 119
VAL A 148
LEU A 201
THR A 202
TRP A 212
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.4A)
None
 0.50A 3lxeB-6ekiA:
30.1		 3lxeB-6ekiA:
15.27
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 8 SER A  65
GLN A  92
HIS A  94
HIS A  96
VAL A 143
LEU A 198
THR A 199
TRP A 209
 V14  A 302 ( 4.6A)
V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
 0.63A 3lxeB-6fe1A:
32.9		 3lxeB-6fe1A:
15.83