SIMILAR PATTERNS OF AMINO ACIDS FOR 4PXX_A_CHDA302_0

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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 AZM  A1400 (-3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-3.6A)
AZM  A1400 (-3.3A)
 0.39A 4pxxA-1jd0A:
37.0		 4pxxA-1jd0A:
36.94
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
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 1.10A 4pxxA-1kopA:
29.6		 4pxxA-1kopA:
34.59
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) 		6 GLN A  90
HIS A  92
HIS A  94
HIS A 111
THR A 177
THR A 178
 None
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
AZI  A 305 ( 4.2A)
 0.30A 4pxxA-1kopA:
29.6		 4pxxA-1kopA:
34.59
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 GLU A  62
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)
 1.15A 4pxxA-1kopA:
29.6		 4pxxA-1kopA:
34.59
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 GLU A 211
HIS A  94
HIS A 111
HIS A  92
THR A 177
 None
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZI  A 305 (-3.4A)
 1.02A 4pxxA-1kopA:
29.6		 4pxxA-1kopA:
34.59
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
THR A 199
THR A 200
 None
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 1.08A 4pxxA-1rj6A:
37.6		 4pxxA-1rj6A:
38.35
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
HIS A 119
THR A 199
THR A 200
 AZM  A 400 (-4.3A)
ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-3.6A)
AZM  A 400 (-3.6A)
 0.41A 4pxxA-1rj6A:
37.6		 4pxxA-1rj6A:
38.35
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.
1rlg 50S RIBOSOMAL
PROTEIN L7AE

(Archaeoglobus
fulgidus) 		PF01248
(Ribosomal_L7Ae) 		5 GLU A  51
ILE A  74
HIS A  61
THR A  36
THR A  32
 None
None
None
None
U  C  18 ( 4.4A)
 1.23A 4pxxA-1rlgA:
undetectable		 4pxxA-1rlgA:
19.23
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.
1s9k NUCLEAR FACTOR OF
ACTIVATED T-CELLS,
CYTOPLASMIC 2

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 GLU C 413
ILE C 412
HIS C 440
PHE C 546
THR C 487
 None
 1.33A 4pxxA-1s9kC:
undetectable		 4pxxA-1s9kC:
21.77
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  94
HIS A 119
THR A 199
THR A 200
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.9A)
None
 1.29A 4pxxA-1urtA:
36.8		 4pxxA-1urtA:
51.50
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  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 None
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.9A)
None
 0.35A 4pxxA-1urtA:
36.8		 4pxxA-1urtA:
51.50
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 ILE A 112
GLN A 113
HIS A 115
HIS A 117
HIS A 135
THR A 217
THR A 218
 None
None
ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 3.1A)
ACY  A 279 (-3.4A)
ACY  A 279 ( 4.9A)
 0.30A 4pxxA-1y7wA:
26.3		 4pxxA-1y7wA:
32.37
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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ILE A 338
HIS A 288
HIS A 232
PHE A 334
THR A 239
 None
FE2  A1350 ( 3.5A)
FE2  A1350 ( 3.5A)
NAR  A1352 (-4.6A)
None
 1.47A 4pxxA-2brtA:
undetectable		 4pxxA-2brtA:
21.47
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.
2flq NITRIC OXIDE
SYNTHASE

(Geobacillus
stearothermophilus) 		PF02898
(NO_synthase) 		5 GLU A 248
HIS A 307
HIS A 308
THR A 343
THR A 344
 ARG  A 376 ( 2.9A)
None
None
None
None
 1.03A 4pxxA-2flqA:
undetectable		 4pxxA-2flqA:
19.25
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 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
 None
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-3.6A)
 0.60A 4pxxA-2it4A:
40.8		 4pxxA-2it4A:
60.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 None
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.2A)
ZN  A   1 ( 4.7A)
None
 0.34A 4pxxA-2zncA:
32.2		 4pxxA-2zncA:
35.32
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
HIS A 182
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
None
 1.00A 4pxxA-3b1bA:
25.2		 4pxxA-3b1bA:
25.95
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 161
HIS A 163
HIS A 165
HIS A 182
THR A 260
THR A 261
 None
ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 (-3.1A)
ZN  A 378 ( 4.5A)
None
 0.29A 4pxxA-3b1bA:
25.2		 4pxxA-3b1bA:
25.95
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 GLN A  93
HIS A  95
HIS A  97
PHE A 132
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 (-3.2A)
 1.02A 4pxxA-3da2A:
42.4		 4pxxA-3da2A:
59.77
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
HIS A 120
PHE A 132
THR A 200
 ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 3.2A)
4MD  A 401 (-4.6A)
4MD  A 401 (-3.2A)
 0.59A 4pxxA-3da2A:
42.4		 4pxxA-3da2A:
59.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLN A 109
HIS A 111
HIS A 113
HIS A 138
THR A 220
 None
MG  A 901 (-3.4A)
MG  A 901 (-3.4A)
MG  A 901 (-3.2A)
None
 0.71A 4pxxA-3fe4A:
31.4		 4pxxA-3fe4A:
35.54
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
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)
 1.08A 4pxxA-3ml5A:
43.2		 4pxxA-3ml5A:
55.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 131
THR A 199
THR A 200
 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 (-3.4A)
AZM  A 264 (-3.5A)
 0.32A 4pxxA-3ml5A:
43.2		 4pxxA-3ml5A:
55.22
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  92
HIS A  94
HIS A  96
PHE A 131
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)
 1.22A 4pxxA-3ml5A:
43.2		 4pxxA-3ml5A:
55.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 102
HIS A 123
HIS A 125
HIS A 142
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.06A 4pxxA-3q31A:
24.6		 4pxxA-3q31A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLN A 121
HIS A 123
HIS A 125
HIS A 142
THR A 215
THR A 216
 MLT  A   3 (-3.9A)
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 0.36A 4pxxA-3q31A:
24.6		 4pxxA-3q31A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		6 GLU A  95
HIS A 123
HIS A 125
HIS A 142
THR A 215
THR A 216
 None
ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 3.2A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-2.8A)
 1.07A 4pxxA-3q31A:
24.6		 4pxxA-3q31A:
30.69
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) 		7 GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 130
THR A 198
THR A 199
 None
ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 (-3.2A)
None
ZN  A 261 ( 4.4A)
None
 0.38A 4pxxA-3uyqA:
41.5		 4pxxA-3uyqA:
58.85
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) 		6 GLN A  87
HIS A  89
HIS A  91
HIS A 108
THR A 174
THR A 175
 AZM  A 302 (-4.4A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-3.4A)
AZM  A 302 (-3.4A)
 0.31A 4pxxA-4g7aA:
30.1		 4pxxA-4g7aA:
34.95
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 ILE A 218
HIS A 120
HIS A  48
HIS A 234
PHE A 216
 None
 0.97A 4pxxA-4jqsA:
undetectable		 4pxxA-4jqsA:
21.74
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 GLU A  69
ILE A  91
GLN A  92
HIS A  94
HIS A  96
HIS A 119
PHE A 131
THR A 199
THR A 200
 None
None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
None
 0.28A 4pxxA-4qk3A:
44.2		 4pxxA-4qk3A:
93.85
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 ILE A  91
GLN A  92
HIS A  94
HIS A  96
PHE A 131
THR A 199
 None
None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
ZN  A 301 ( 4.4A)
 1.23A 4pxxA-4qk3A:
44.2		 4pxxA-4qk3A:
93.85
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) 		6 GLN A 110
HIS A 112
HIS A 114
HIS A 131
THR A 198
THR A 199
 CL  A 304 ( 3.7A)
ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
ZN  A 298 ( 3.2A)
AZM  A 299 (-3.3A)
AZM  A 299 (-3.3A)
 0.29A 4pxxA-4uovA:
31.3		 4pxxA-4uovA:
37.76
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) 		6 GLN A  87
HIS A  89
HIS A  91
HIS A 108
THR A 174
THR A 175
 AZM  A 302 (-4.3A)
ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-3.3A)
AZM  A 302 (-3.3A)
 0.31A 4pxxA-4x5sA:
30.2		 4pxxA-4x5sA:
39.13
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
HIS A 179
THR A 254
THR A 255
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.1A)
2HP  A 402 (-2.9A)
2HP  A 402 (-3.6A)
 0.30A 4pxxA-4xixA:
25.9		 4pxxA-4xixA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		6 GLN A 163
HIS A 165
HIS A 167
HIS A 184
THR A 252
THR A 253
 None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.1A)
BCT  A 402 (-3.7A)
BCT  A 402 ( 4.4A)
 0.26A 4pxxA-4xz5A:
29.8		 4pxxA-4xz5A:
32.83
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
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)
 1.08A 4pxxA-5cjfA:
37.2		 4pxxA-5cjfA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 GOL  A 303 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
520  A 302 (-3.4A)
GOL  A 303 ( 3.5A)
 0.26A 4pxxA-5cjfA:
37.2		 4pxxA-5cjfA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 GLN X  91
HIS X  93
HIS X  95
PHE X 129
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
None
ZN  X 301 ( 4.4A)
 1.34A 4pxxA-5eztX:
44.3		 4pxxA-5eztX:
78.99
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 GLU X  68
GLN X  91
HIS X  93
HIS X  95
HIS X 118
PHE X 129
THR X 197
THR X 198
 None
None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
None
 0.27A 4pxxA-5eztX:
44.3		 4pxxA-5eztX:
78.99
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) 		6 GLN A  94
HIS A  96
HIS A  98
HIS A 115
THR A 182
THR A 183
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 301 ( 4.4A)
None
 0.33A 4pxxA-5hpjA:
29.5		 4pxxA-5hpjA:
35.82
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		5 HIS A 218
HIS A 167
HIS A 284
PHE A 310
THR A 121
 FE  A 501 (-3.2A)
FE  A 501 (-3.3A)
FE  A 501 ( 3.3A)
None
V55  A 503 ( 3.3A)
 1.29A 4pxxA-5j55A:
undetectable		 4pxxA-5j55A:
18.59
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) 		6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 EZL  A 302 (-4.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-3.4A)
EZL  A 302 (-3.9A)
 0.29A 4pxxA-5jn9A:
33.3		 4pxxA-5jn9A:
35.42
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 HIS A 219
HIS A 168
HIS A 284
PHE A 309
THR A 122
 FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
None
None
 1.14A 4pxxA-5v2dA:
undetectable		 4pxxA-5v2dA:
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 HIS A 219
HIS A 168
HIS A 284
PHE A 310
THR A 122
 FE  A 500 (-3.2A)
FE  A 500 (-3.3A)
FE  A 500 (-3.3A)
None
None
 1.38A 4pxxA-5v2dA:
undetectable		 4pxxA-5v2dA:
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 6 GLN A 115
HIS A 117
HIS A 119
HIS A 136
THR A 202
THR A 203
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 (-3.2A)
ZN  A 301 (-4.4A)
None
 0.25A 4pxxA-6ekiA:
30.0		 4pxxA-6ekiA:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 GLN A  92
HIS A  94
HIS A  96
HIS A 119
THR A 199
THR A 200
 V14  A 302 (-3.8A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-3.2A)
V14  A 302 (-3.5A)
 0.35A 4pxxA-6fe1A:
34.1		 4pxxA-6fe1A:
undetectable