SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWL_A_ASCA303

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) 		5 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 901 ( 3.2A)
AZM  A1400 (-4.6A)
AZM  A1400 ( 4.9A)
AZM  A1400 (-3.6A)
None
 0.32A 4twlA-1jd0A:
27.6		 4twlA-1jd0A:
30.96
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  94
VAL A 113
VAL A 123
THR A 177
TRP A 187
 ZN  A 301 ( 3.3A)
None
None
AZI  A 305 (-3.4A)
None
 0.21A 4twlA-1kopA:
31.6		 4twlA-1kopA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 ASP A 150
VAL A 185
VAL A 174
PHE A 129
ALA A  89
 None
 1.22A 4twlA-1n3pA:
undetectable		 4twlA-1n3pA:
22.83
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 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 601 (-3.3A)
AZM  A 400 (-4.8A)
None
AZM  A 400 (-3.6A)
None
 0.30A 4twlA-1rj6A:
28.1		 4twlA-1rj6A:
30.88
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
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 280 (-3.2A)
None
None
ZN  A 280 ( 4.9A)
None
 0.38A 4twlA-1urtA:
24.9		 4twlA-1urtA:
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 HIS A 117
VAL A 137
VAL A 153
THR A 217
TRP A 227
 ZN  A 283 (-3.2A)
ACY  A 279 ( 4.7A)
None
ACY  A 279 (-3.4A)
None
 0.32A 4twlA-1y7wA:
25.7		 4twlA-1y7wA:
26.32
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.
2pqi RIBOSOME-INACTIVATIN
G PROTEIN 3

(Zea mays) 		PF00161
(RIP) 		5 GLN A  59
VAL A  61
VAL A 280
PHE A 249
ALA A 252
 None
 1.17A 4twlA-2pqiA:
undetectable		 4twlA-2pqiA:
22.06
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		5 GLN A 293
VAL A 292
PHE A  46
THR A  47
ALA A  48
 None
 1.31A 4twlA-2qa2A:
undetectable		 4twlA-2qa2A:
18.13
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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A   1 ( 3.3A)
None
None
ZN  A   1 ( 4.7A)
None
 0.28A 4twlA-2zncA:
26.5		 4twlA-2zncA:
28.10
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 HIS A 165
VAL A 184
VAL A 201
THR A 260
TRP A 270
 ZN  A 378 (-3.3A)
None
None
ZN  A 378 ( 4.5A)
None
 0.24A 4twlA-3b1bA:
25.3		 4twlA-3b1bA:
25.85
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  97
VAL A 122
VAL A 144
THR A 200
TRP A 210
 ZN  A 301 ( 3.5A)
4MD  A 401 ( 4.6A)
4MD  A 401 ( 4.4A)
4MD  A 401 (-3.2A)
None
 0.28A 4twlA-3da2A:
28.6		 4twlA-3da2A:
28.73
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
VAL A 140
VAL A 161
THR A 220
TRP A 230
 MG  A 901 (-3.4A)
None
None
None
None
 0.72A 4twlA-3fe4A:
24.7		 4twlA-3fe4A:
29.15
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.
3llk SULFHYDRYL OXIDASE 1

(Homo sapiens) 		PF04777
(Evr1_Alr) 		5 HIS A 513
PHE A 530
THR A 527
ALA A 526
TRP A 478
 None
 1.43A 4twlA-3llkA:
undetectable		 4twlA-3llkA:
21.71
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 263 ( 3.2A)
AZM  A 264 (-4.7A)
AZM  A 264 ( 4.9A)
AZM  A 264 (-3.4A)
None
 0.34A 4twlA-3ml5A:
28.2		 4twlA-3ml5A:
28.87
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) 		5 HIS A 125
VAL A 144
VAL A 154
THR A 215
TRP A 225
 ZN  A   1 (-3.3A)
None
MLT  A   3 (-4.6A)
MLT  A   3 ( 4.3A)
MLT  A   3 (-4.9A)
 0.31A 4twlA-3q31A:
26.2		 4twlA-3q31A:
30.08
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 HIS A  96
VAL A 121
VAL A 142
PHE A 197
THR A 198
TRP A 208
 ZN  A 261 (-3.3A)
None
None
None
ZN  A 261 ( 4.4A)
None
 0.57A 4twlA-3uyqA:
28.3		 4twlA-3uyqA:
32.12
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  91
VAL A 110
VAL A 120
THR A 174
TRP A 184
 ZN  A 301 ( 3.2A)
AZM  A 302 (-4.7A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.4A)
None
 0.31A 4twlA-4g7aA:
30.8		 4twlA-4g7aA:
34.65
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  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
 0.30A 4twlA-4qk3A:
29.0		 4twlA-4qk3A:
30.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		10 ASP A  70
HIS A  95
HIS A  97
GLN A 114
VAL A 116
VAL A 126
PHE A 182
THR A 183
ALA A 184
TRP A 193
 ASC  A 303 (-3.5A)
ASC  A 303 (-2.7A)
ASC  A 303 (-4.4A)
ASC  A 303 (-4.1A)
ASC  A 303 (-4.2A)
ASC  A 303 ( 4.5A)
None
ASC  A 303 (-3.4A)
ASC  A 303 (-3.0A)
ASC  A 303 (-4.3A)
 0.00A 4twlA-4twlA:
45.1		 4twlA-4twlA:
100.00
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 114
VAL A 133
VAL A 143
THR A 198
TRP A 208
 ZN  A 298 ( 3.2A)
None
AZM  A 299 ( 4.8A)
AZM  A 299 (-3.3A)
None
 0.33A 4twlA-4uovA:
31.1		 4twlA-4uovA:
31.13
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) 		5 HIS A  91
VAL A 110
VAL A 120
THR A 174
TRP A 184
 ZN  A 301 ( 3.2A)
AZM  A 302 (-4.8A)
AZM  A 302 ( 4.8A)
AZM  A 302 (-3.3A)
None
 0.34A 4twlA-4x5sA:
31.0		 4twlA-4x5sA:
39.37
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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		6 HIS A 112
VAL A 131
VAL A 141
THR A 191
ALA A 192
TRP A 201
 ZN  A 301 (-3.4A)
None
None
ZN  A 301 (-4.3A)
None
None
 0.45A 4twlA-4xfwA:
29.1		 4twlA-4xfwA:
29.03
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 HIS A 162
VAL A 181
VAL A 192
THR A 254
TRP A 264
 ZN  A 401 ( 3.2A)
None
None
2HP  A 402 (-2.9A)
None
 0.27A 4twlA-4xixA:
26.2		 4twlA-4xixA:
34.50
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 167
VAL A 186
VAL A 196
THR A 252
TRP A 262
 ZN  A 401 ( 3.3A)
None
None
BCT  A 402 (-3.7A)
None
 0.21A 4twlA-4xz5A:
30.0		 4twlA-4xz5A:
35.08
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 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 301 ( 3.2A)
520  A 302 ( 4.9A)
520  A 302 ( 4.9A)
520  A 302 (-3.4A)
None
 0.35A 4twlA-5cjfA:
27.8		 4twlA-5cjfA:
30.07
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		5 ASP A 151
VAL A 186
VAL A 175
PHE A 130
ALA A  90
 None
 1.26A 4twlA-5eyyA:
undetectable		 4twlA-5eyyA:
21.56
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 HIS X  95
VAL X 120
VAL X 141
THR X 197
TRP X 207
 ZN  X 301 (-3.2A)
None
None
ZN  X 301 ( 4.4A)
None
 0.31A 4twlA-5eztX:
28.4		 4twlA-5eztX:
30.18
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) 		5 HIS A  98
VAL A 117
VAL A 127
THR A 182
TRP A 192
 ZN  A 301 (-3.2A)
None
None
ZN  A 301 ( 4.4A)
None
 0.20A 4twlA-5hpjA:
29.7		 4twlA-5hpjA:
35.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 301 ( 3.3A)
EZL  A 302 (-4.7A)
EZL  A 302 ( 4.7A)
EZL  A 302 (-3.4A)
None
 0.35A 4twlA-5jn9A:
26.7		 4twlA-5jn9A:
28.16
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.
5owx GENOME POLYPROTEIN
GENOME POLYPROTEIN

(Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 ASP 1 131
VAL 2 126
VAL 2 180
PHE 2 132
ALA 2 131
 None
 1.45A 4twlA-5owx1:
undetectable		 4twlA-5owx1:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u38 LECTIN

(Platypodium
elegans) 		PF00139
(Lectin_legB) 		5 ASP A 151
VAL A 186
VAL A 175
PHE A 130
ALA A  90
 None
 1.26A 4twlA-5u38A:
undetectable		 4twlA-5u38A:
21.37
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 ASP A 312
GLN A 198
VAL A 215
THR A 401
ALA A 404
 None
 1.46A 4twlA-5w1uA:
undetectable		 4twlA-5w1uA:
18.27
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 HIS A 119
VAL A 138
VAL A 148
THR A 202
TRP A 212
 ZN  A 301 (-3.3A)
None
None
ZN  A 301 (-4.4A)
None
 0.33A 4twlA-6ekiA:
31.2		 4twlA-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 5 HIS A  96
VAL A 121
VAL A 143
THR A 199
TRP A 209
 ZN  A 301 ( 3.2A)
V14  A 302 (-4.7A)
None
V14  A 302 (-3.2A)
None
 0.38A 4twlA-6fe1A:
27.7		 4twlA-6fe1A:
undetectable