SIMILAR PATTERNS OF AMINO ACIDS FOR 4YGF_D_AZMD303

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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASN A 481
HIS A  62
HIS A 104
HIS A 508
THR A 221
 None
CU  A 556 ( 3.0A)
CU  A 556 (-3.1A)
CU  A 556 (-3.3A)
None
 1.36A 4ygfD-1asoA:
undetectable		 4ygfD-1asoA:
18.63
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 4.5A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
None
 0.30A 4ygfD-1jd0A:
25.0		 4ygfD-1jd0A:
29.09
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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 901 ( 3.2A)
ZN  A 901 ( 4.5A)
ZN  A 901 ( 3.1A)
AZM  A1400 (-4.6A)
AZM  A1400 (-3.9A)
AZM  A1400 (-3.6A)
 0.97A 4ygfD-1jd0A:
25.0		 4ygfD-1jd0A:
29.09
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.
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)
 1.36A 4ygfD-1jd0A:
25.0		 4ygfD-1jd0A:
29.09
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 HIS A  92
HIS A  94
GLU A  98
HIS A 111
VAL A 113
VAL A 123
LEU A 176
THR A 177
TRP A 187
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
None
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
None
 0.39A 4ygfD-1kopA:
29.7		 4ygfD-1kopA:
35.98
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 HIS A  94
GLU A  98
HIS A 111
VAL A 113
LEU A 176
THR A 177
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 1.07A 4ygfD-1kopA:
29.7		 4ygfD-1kopA:
35.98
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 HIS A 111
HIS A  94
VAL A 123
LEU A 176
THR A 177
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
None
AZI  A 305 (-4.2A)
AZI  A 305 (-3.4A)
 1.39A 4ygfD-1kopA:
29.7		 4ygfD-1kopA:
35.98
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 601 ( 3.3A)
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
None
 0.31A 4ygfD-1rj6A:
25.1		 4ygfD-1rj6A:
28.83
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 601 (-3.3A)
ZN  A 601 ( 4.5A)
ZN  A 601 ( 3.2A)
AZM  A 400 (-4.8A)
AZM  A 400 (-3.7A)
AZM  A 400 (-3.6A)
 1.04A 4ygfD-1rj6A:
25.1		 4ygfD-1rj6A:
28.83
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 280 (-3.2A)
ZN  A 280 (-3.2A)
ZN  A 280 ( 4.7A)
ZN  A 280 (-3.2A)
None
None
None
ZN  A 280 ( 4.9A)
None
 0.36A 4ygfD-1urtA:
8.2		 4ygfD-1urtA:
26.88
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
 ZN  A 280 (-3.2A)
ZN  A 280 ( 4.7A)
ZN  A 280 (-3.2A)
None
None
 1.04A 4ygfD-1urtA:
8.2		 4ygfD-1urtA:
26.88
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
 ZN  A 280 (-3.2A)
ZN  A 280 ( 4.7A)
None
None
ZN  A 280 ( 4.9A)
 0.83A 4ygfD-1urtA:
8.2		 4ygfD-1urtA:
26.88
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.
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)
 1.31A 4ygfD-1urtA:
8.2		 4ygfD-1urtA:
26.88
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 HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
TRP A 227
 ZN  A 283 ( 3.2A)
ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
None
 0.22A 4ygfD-1y7wA:
10.7		 4ygfD-1y7wA:
23.43
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) 		6 HIS A 117
GLU A 122
HIS A 135
VAL A 137
LEU A 216
THR A 217
 ZN  A 283 (-3.2A)
ZN  A 283 ( 4.5A)
ZN  A 283 ( 3.1A)
ACY  A 279 ( 4.7A)
ACY  A 279 (-4.3A)
ACY  A 279 (-3.4A)
 0.98A 4ygfD-1y7wA:
10.7		 4ygfD-1y7wA:
23.43
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		5 HIS A 176
VAL A 174
LEU A 188
THR A 184
ALA A 187
 None
 1.41A 4ygfD-1zq1A:
undetectable		 4ygfD-1zq1A:
19.38
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 HIS A  73
HIS A 269
GLU A 232
HIS A 229
ALA A 323
 FE  A 501 (-3.4A)
GUN  A 503 ( 4.4A)
GUN  A 503 (-3.1A)
GUN  A 503 ( 3.5A)
GUN  A 503 ( 4.1A)
 1.10A 4ygfD-2i9uA:
undetectable		 4ygfD-2i9uA:
19.76
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		8 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 3.2A)
ZN  A 561 ( 4.9A)
ZN  A 561 ( 3.1A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
None
 0.30A 4ygfD-2it4A:
11.1		 4ygfD-2it4A:
29.39
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
 ZN  A 561 ( 3.2A)
ZN  A 561 ( 4.9A)
PPF  A 500 (-4.9A)
PPF  A 500 (-3.9A)
PPF  A 500 (-3.6A)
 0.82A 4ygfD-2it4A:
11.1		 4ygfD-2it4A:
29.39
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.
2j2m CATALASE

(Exiguobacterium
oxidotolerans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASN A 175
HIS A 179
VAL A 427
LEU A 439
THR A 182
 None
 1.39A 4ygfD-2j2mA:
undetectable		 4ygfD-2j2mA:
18.54
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.
2own PUTATIVE
OLEOYL-[ACYL-CARRIER
PROTEIN]
THIOESTERASE

(Lactobacillus
plantarum) 		PF01643
(Acyl-ACP_TE) 		5 GLU A  21
HIS A  15
VAL A  81
LEU A  33
THR A  32
 None
 1.37A 4ygfD-2ownA:
undetectable		 4ygfD-2ownA:
20.74
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.
2q7n LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Mus musculus) 		PF00041
(fn3) 		5 HIS A 168
VAL A 170
VAL A 128
ALA A  98
TRP A 157
 None
 1.18A 4ygfD-2q7nA:
undetectable		 4ygfD-2q7nA:
19.54
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		5 HIS A 182
VAL A 155
LEU A  81
THR A 174
ALA A 175
 None
None
None
None
CL  A 336 ( 4.3A)
 1.39A 4ygfD-2quyA:
undetectable		 4ygfD-2quyA:
20.41
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.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A 118
GLU A 128
HIS A 141
LEU A 222
THR A 223
TRP A 233
 CL  A 401 (-4.2A)
None
CL  A 401 (-4.1A)
None
CL  A 401 ( 4.8A)
None
 0.32A 4ygfD-2w2jA:
25.3		 4ygfD-2w2jA:
27.18
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 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 4.8A)
ZN  A   1 ( 3.2A)
None
None
 1.14A 4ygfD-2zncA:
10.6		 4ygfD-2zncA:
31.79
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 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 4.8A)
ZN  A   1 ( 3.2A)
None
None
None
ZN  A   1 ( 4.7A)
None
 0.39A 4ygfD-2zncA:
10.6		 4ygfD-2zncA:
31.79
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  96
GLU A 106
VAL A 143
LEU A 198
THR A 199
 ZN  A   1 ( 3.3A)
ZN  A   1 ( 4.8A)
None
None
ZN  A   1 ( 4.7A)
 0.80A 4ygfD-2zncA:
10.6		 4ygfD-2zncA:
31.79
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 4ygfD-2zncA:
10.6		 4ygfD-2zncA:
31.79
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 HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
TRP A 270
 ZN  A 378 (-3.2A)
ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
None
None
None
ZN  A 378 ( 4.5A)
None
 0.28A 4ygfD-3b1bA:
10.7		 4ygfD-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) 		6 HIS A 165
GLU A 169
HIS A 182
VAL A 184
LEU A 259
THR A 260
 ZN  A 378 (-3.3A)
ZN  A 378 ( 4.5A)
ZN  A 378 (-3.1A)
None
None
ZN  A 378 ( 4.5A)
 0.97A 4ygfD-3b1bA:
10.7		 4ygfD-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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		5 ASN A 243
HIS A 207
HIS A 231
VAL A  13
LEU A  81
 ZN  A1003 ( 4.5A)
ZN  A1003 ( 3.4A)
None
None
None
 1.18A 4ygfD-3bleA:
undetectable		 4ygfD-3bleA:
20.71
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		5 HIS A  45
VAL A  42
VAL A 137
LEU A  93
ALA A  92
 None
 1.28A 4ygfD-3d9wA:
undetectable		 4ygfD-3d9wA:
19.87
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  68
HIS A  95
HIS A  97
GLU A 107
LEU A 199
THR A 200
 None
ZN  A 301 ( 3.6A)
ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 1.32A 4ygfD-3da2A:
25.5		 4ygfD-3da2A:
28.47
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 ASN A  68
HIS A  97
GLU A 107
VAL A 122
LEU A 199
THR A 200
 None
ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.90A 4ygfD-3da2A:
25.5		 4ygfD-3da2A:
28.47
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 HIS A  95
HIS A  97
GLU A 107
HIS A 120
VAL A 122
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 ( 4.9A)
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
 0.45A 4ygfD-3da2A:
25.5		 4ygfD-3da2A:
28.47
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  97
GLU A 107
HIS A 120
VAL A 122
LEU A 199
THR A 200
 ZN  A 301 ( 3.5A)
ZN  A 301 ( 4.9A)
ZN  A 301 ( 3.2A)
4MD  A 401 ( 4.6A)
4MD  A 401 (-4.2A)
4MD  A 401 (-3.2A)
 0.99A 4ygfD-3da2A:
25.5		 4ygfD-3da2A:
28.47
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 HIS A 111
HIS A 113
GLU A 125
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 ( 4.4A)
MG  A 901 (-3.2A)
None
None
None
None
None
 0.68A 4ygfD-3fe4A:
9.4		 4ygfD-3fe4A:
28.22
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 113
GLU A 125
HIS A 138
VAL A 140
LEU A 219
 MG  A 901 (-3.4A)
MG  A 901 ( 4.4A)
MG  A 901 (-3.2A)
None
None
 1.16A 4ygfD-3fe4A:
9.4		 4ygfD-3fe4A:
28.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 129
GLU A 141
LEU A 235
THR A 236
TRP A 246
 None
 0.24A 4ygfD-3jxfA:
25.3		 4ygfD-3jxfA:
30.21
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.
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)
 1.21A 4ygfD-3l2hA:
undetectable		 4ygfD-3l2hA:
20.16
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
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
 0.29A 4ygfD-3ml5A:
4.1		 4ygfD-3ml5A:
28.67
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 263 ( 3.2A)
ZN  A 263 ( 4.6A)
ZN  A 263 ( 3.1A)
AZM  A 264 (-4.7A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 1.01A 4ygfD-3ml5A:
4.1		 4ygfD-3ml5A:
28.67
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
 ZN  A 263 ( 3.1A)
ZN  A 263 ( 3.2A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
AZM  A 264 (-3.4A)
 1.38A 4ygfD-3ml5A:
4.1		 4ygfD-3ml5A:
28.67
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 HIS A 123
HIS A 125
GLU A 129
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
TRP A 225
 ZN  A   1 ( 3.2A)
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
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)
 0.42A 4ygfD-3q31A:
25.2		 4ygfD-3q31A:
29.17
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) 		6 HIS A 125
GLU A 129
HIS A 142
VAL A 144
LEU A 214
THR A 215
 ZN  A   1 (-3.3A)
ZN  A   1 ( 4.7A)
ZN  A   1 ( 3.2A)
None
MLT  A   3 ( 4.2A)
MLT  A   3 ( 4.3A)
 1.06A 4ygfD-3q31A:
25.2		 4ygfD-3q31A:
29.17
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)
 1.31A 4ygfD-3q31A:
25.2		 4ygfD-3q31A:
29.17
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 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 142
THR A 198
TRP A 208
 ZN  A 261 (-3.3A)
ZN  A 261 (-3.3A)
ZN  A 261 ( 4.9A)
ZN  A 261 (-3.2A)
None
None
ZN  A 261 ( 4.4A)
None
 0.46A 4ygfD-3uyqA:
11.5		 4ygfD-3uyqA:
30.47
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 GLU A 578
HIS A 117
VAL A 119
VAL A  85
LEU A 108
ALA A 574
 None
 1.37A 4ygfD-3vueA:
undetectable		 4ygfD-3vueA:
18.29
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 ASN A 314
VAL A 150
VAL A 176
LEU A 200
ALA A 199
 None
 1.33A 4ygfD-4bwyA:
undetectable		 4ygfD-4bwyA:
22.15
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		5 HIS B  58
VAL B 352
LEU B  98
THR B  97
ALA B 160
 None
 1.09A 4ygfD-4ci2B:
undetectable		 4ygfD-4ci2B:
19.51
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 ASN A 539
VAL A 541
VAL A 465
LEU A 365
ALA A 361
 None
 1.12A 4ygfD-4cmrA:
undetectable		 4ygfD-4cmrA:
16.58
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
 1.31A 4ygfD-4dgkA:
undetectable		 4ygfD-4dgkA:
19.87
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
 1.32A 4ygfD-4dgkA:
undetectable		 4ygfD-4dgkA:
19.87
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.
4e9x MULTICOPPER OXIDASE

(uncultured
bacterium) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A1106
HIS A1060
HIS A1104
VAL A1109
VAL A1113
 None
None
CU  A1402 ( 3.2A)
None
None
 1.38A 4ygfD-4e9xA:
undetectable		 4ygfD-4e9xA:
20.00
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 HIS A  89
HIS A  91
GLU A  95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
TRP A 184
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.6A)
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
 0.28A 4ygfD-4g7aA:
4.7		 4ygfD-4g7aA:
38.46
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 HIS A  91
GLU A  95
HIS A 108
VAL A 110
LEU A 173
THR A 174
 ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.6A)
ZN  A 301 ( 3.1A)
AZM  A 302 (-4.7A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.04A 4ygfD-4g7aA:
4.7		 4ygfD-4g7aA:
38.46
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 HIS A 108
HIS A  91
VAL A 120
LEU A 173
THR A 174
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.8A)
AZM  A 302 (-3.4A)
 1.35A 4ygfD-4g7aA:
4.7		 4ygfD-4g7aA:
38.46
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 ASN A 104
HIS A  75
LEU A 204
THR A 206
ALA A 205
 None
 1.39A 4ygfD-4gr4A:
undetectable		 4ygfD-4gr4A:
18.68
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) 		6 ASN A 231
HIS A 120
HIS A  48
GLU A  45
HIS A 234
TRP A 148
 None
 1.00A 4ygfD-4jqsA:
undetectable		 4ygfD-4jqsA:
20.96
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 ASN A 778
HIS A 781
LEU A 774
THR A 773
ALA A 783
 None
 1.32A 4ygfD-4k0eA:
undetectable		 4ygfD-4k0eA:
12.77
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) 		7 ASN A  67
HIS A  94
HIS A  96
GLU A 106
HIS A 119
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
ZN  A 301 (-3.1A)
None
ZN  A 301 ( 4.4A)
 0.97A 4ygfD-4qk3A:
11.6		 4ygfD-4qk3A:
30.66
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) 		7 ASN A  67
HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 None
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
 0.95A 4ygfD-4qk3A:
11.6		 4ygfD-4qk3A:
30.66
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 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.5A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
 0.25A 4ygfD-4qk3A:
11.6		 4ygfD-4qk3A:
30.66
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)
 1.36A 4ygfD-4qk3A:
11.6		 4ygfD-4qk3A:
30.66
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) 		7 HIS A  97
GLU A 101
VAL A 116
VAL A 126
THR A 183
ALA A 184
TRP A 193
 ASC  A 303 (-4.4A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
ASC  A 303 (-3.4A)
ASC  A 303 (-3.0A)
ASC  A 303 (-4.3A)
 0.36A 4ygfD-4twlA:
4.5		 4ygfD-4twlA:
29.76
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 HIS A 112
HIS A 114
GLU A 118
HIS A 131
VAL A 133
VAL A 143
LEU A 197
THR A 198
TRP A 208
 ZN  A 298 (-3.2A)
ZN  A 298 ( 3.2A)
AZM  A 299 ( 4.4A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
None
 0.35A 4ygfD-4uovA:
4.6		 4ygfD-4uovA:
36.21
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 HIS A 114
GLU A 118
HIS A 131
VAL A 133
LEU A 197
THR A 198
 ZN  A 298 ( 3.2A)
AZM  A 299 ( 4.4A)
ZN  A 298 ( 3.2A)
None
AZM  A 299 (-3.8A)
AZM  A 299 (-3.3A)
 1.12A 4ygfD-4uovA:
4.6		 4ygfD-4uovA:
36.21
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) 		5 HIS A 131
HIS A 114
VAL A 143
LEU A 197
THR A 198
 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)
 1.37A 4ygfD-4uovA:
4.6		 4ygfD-4uovA:
36.21
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 HIS A  89
HIS A  91
GLU A  95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
TRP A 184
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.5A)
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
 0.32A 4ygfD-4x5sA:
4.9		 4ygfD-4x5sA:
37.55
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 HIS A  91
GLU A  95
HIS A 108
VAL A 110
LEU A 173
THR A 174
 ZN  A 301 ( 3.2A)
AZM  A 302 ( 4.5A)
ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 (-3.7A)
AZM  A 302 (-3.3A)
 1.07A 4ygfD-4x5sA:
4.9		 4ygfD-4x5sA:
37.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		11 ASN A 108
HIS A 110
HIS A 112
GLU A 116
HIS A 129
VAL A 131
VAL A 141
LEU A 190
THR A 191
ALA A 192
TRP A 201
 None
ZN  A 301 (-3.3A)
ZN  A 301 (-3.4A)
ZN  A 301 (-4.9A)
ZN  A 301 ( 3.1A)
None
None
None
ZN  A 301 (-4.3A)
None
None
 0.43A 4ygfD-4xfwA:
37.6		 4ygfD-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		7 HIS A 112
GLU A 116
HIS A 129
VAL A 131
LEU A 190
THR A 191
ALA A 192
 ZN  A 301 (-3.4A)
ZN  A 301 (-4.9A)
ZN  A 301 ( 3.1A)
None
None
ZN  A 301 (-4.3A)
None
 1.13A 4ygfD-4xfwA:
37.6		 4ygfD-4xfwA:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		5 HIS A 129
HIS A 112
VAL A 141
LEU A 190
ALA A 192
 ZN  A 301 ( 3.1A)
ZN  A 301 (-3.4A)
None
None
None
 1.36A 4ygfD-4xfwA:
37.6		 4ygfD-4xfwA:
99.12
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 HIS A 160
HIS A 162
GLU A 166
HIS A 179
VAL A 181
VAL A 192
LEU A 253
THR A 254
TRP A 264
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
2HP  A 402 ( 4.7A)
ZN  A 401 ( 3.1A)
None
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
None
 0.31A 4ygfD-4xixA:
11.1		 4ygfD-4xixA:
32.55
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 HIS A 162
GLU A 166
HIS A 179
VAL A 181
LEU A 253
THR A 254
 ZN  A 401 ( 3.2A)
2HP  A 402 ( 4.7A)
ZN  A 401 ( 3.1A)
None
2HP  A 402 (-3.4A)
2HP  A 402 (-2.9A)
 0.95A 4ygfD-4xixA:
11.1		 4ygfD-4xixA:
32.55
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 HIS A 165
HIS A 167
GLU A 171
HIS A 184
VAL A 186
VAL A 196
LEU A 251
THR A 252
TRP A 262
 ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
None
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
None
 0.28A 4ygfD-4xz5A:
4.6		 4ygfD-4xz5A:
35.27
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 HIS A 167
GLU A 171
HIS A 184
VAL A 186
LEU A 251
THR A 252
 ZN  A 401 ( 3.3A)
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.1A)
None
BCT  A 402 (-3.8A)
BCT  A 402 (-3.7A)
 1.08A 4ygfD-4xz5A:
4.6		 4ygfD-4xz5A:
35.27
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)
 1.37A 4ygfD-4xz5A:
4.6		 4ygfD-4xz5A:
35.27
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 GLU I 395
HIS I 142
VAL I 201
VAL I 145
LEU I 388
 None
 1.29A 4ygfD-4zoqI:
undetectable		 4ygfD-4zoqI:
22.82
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
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
 0.27A 4ygfD-5cjfA:
4.1		 4ygfD-5cjfA:
28.37
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.
5cjf CARBONIC ANHYDRASE
14

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.1A)
520  A 302 ( 4.9A)
520  A 302 (-3.6A)
520  A 302 (-3.4A)
 0.99A 4ygfD-5cjfA:
4.1		 4ygfD-5cjfA:
28.37
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.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A 151
GLU A 162
LEU A 256
THR A 257
TRP A 267
 None
 0.32A 4ygfD-5e5uA:
25.1		 4ygfD-5e5uA:
29.35
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		7 ASN X  66
HIS X  93
HIS X  95
GLU X 105
HIS X 118
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
None
ZN  X 301 ( 4.4A)
 0.96A 4ygfD-5eztX:
11.3		 4ygfD-5eztX:
28.11
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		7 ASN X  66
HIS X  95
GLU X 105
HIS X 118
VAL X 120
LEU X 196
THR X 197
 None
ZN  X 301 (-3.2A)
ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
None
None
ZN  X 301 ( 4.4A)
 0.97A 4ygfD-5eztX:
11.3		 4ygfD-5eztX:
28.11
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		9 HIS X  93
HIS X  95
GLU X 105
HIS X 118
VAL X 120
VAL X 141
LEU X 196
THR X 197
TRP X 207
 ZN  X 301 (-3.2A)
ZN  X 301 (-3.2A)
ZN  X 301 ( 4.6A)
ZN  X 301 (-3.1A)
None
None
None
ZN  X 301 ( 4.4A)
None
 0.32A 4ygfD-5eztX:
11.3		 4ygfD-5eztX:
28.11
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 HIS A  96
HIS A  98
GLU A 102
HIS A 115
VAL A 117
VAL A 127
LEU A 181
THR A 182
TRP A 192
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.1A)
None
None
None
ZN  A 301 ( 4.4A)
None
 0.39A 4ygfD-5hpjA:
4.5		 4ygfD-5hpjA:
36.13
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 HIS A  98
GLU A 102
HIS A 115
VAL A 117
LEU A 181
THR A 182
 ZN  A 301 (-3.2A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 4.4A)
 1.06A 4ygfD-5hpjA:
4.5		 4ygfD-5hpjA:
36.13
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		9 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
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
 0.40A 4ygfD-5jn9A:
10.5		 4ygfD-5jn9A:
28.26
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 ( 3.2A)
EZL  A 302 (-4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
 1.11A 4ygfD-5jn9A:
10.5		 4ygfD-5jn9A:
28.26
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A 119
HIS A  96
VAL A 143
LEU A 198
THR A 199
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.3A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.5A)
EZL  A 302 (-3.4A)
 1.35A 4ygfD-5jn9A:
10.5		 4ygfD-5jn9A:
28.26
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 GLU A  72
VAL A 444
LEU A 400
THR A 406
ALA A 407
 None
 1.27A 4ygfD-5v7iA:
undetectable		 4ygfD-5v7iA:
19.96
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 GLU A  72
VAL A 489
LEU A 400
THR A 406
ALA A 407
 None
 1.36A 4ygfD-5v7iA:
undetectable		 4ygfD-5v7iA:
19.96
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.
6az0 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 5 GLU A 541
HIS A 544
VAL A 594
THR A 572
ALA A 560
 None
ZN  A 802 (-3.3A)
None
None
None
 1.36A 4ygfD-6az0A:
undetectable		 4ygfD-6az0A:
20.19
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 HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
TRP A 212
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
ZN  A 301 (-3.2A)
None
None
None
ZN  A 301 (-4.4A)
None
 0.25A 4ygfD-6ekiA:
14.4		 4ygfD-6ekiA:
17.03
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 HIS A 119
GLU A 123
HIS A 136
VAL A 138
LEU A 201
THR A 202
 ZN  A 301 (-3.3A)
ZN  A 301 ( 4.7A)
ZN  A 301 (-3.2A)
None
None
ZN  A 301 (-4.4A)
 1.02A 4ygfD-6ekiA:
14.4		 4ygfD-6ekiA:
17.03
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 136
HIS A 119
VAL A 148
LEU A 201
THR A 202
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.4A)
 1.40A 4ygfD-6ekiA:
14.4		 4ygfD-6ekiA:
17.03
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 HIS A  94
HIS A  96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
TRP A 209
 ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
V14  A 302 (-4.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
None
 0.41A 4ygfD-6fe1A:
10.4		 4ygfD-6fe1A:
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.
6fe1 CARBONIC ANHYDRASE 9

(Homo sapiens) 		no annotation 6 HIS A  96
GLU A 106
HIS A 119
VAL A 121
LEU A 198
THR A 199
 ZN  A 301 ( 3.2A)
V14  A 302 (-4.2A)
ZN  A 301 ( 3.1A)
V14  A 302 (-4.7A)
V14  A 302 (-3.6A)
V14  A 302 (-3.2A)
 1.10A 4ygfD-6fe1A:
10.4		 4ygfD-6fe1A:
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.
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)
 1.31A 4ygfD-6fe1A:
10.4		 4ygfD-6fe1A:
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.
6gne -

(-) 		no annotation 6 GLU A 506
HIS A  59
VAL A  61
VAL A  27
LEU A  50
ALA A 502
 None
 1.31A 4ygfD-6gneA:
undetectable		 4ygfD-6gneA:
undetectable