SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NCA'


List of Similar Pattern of Amino Acids


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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
5 / 9 THR A  25
HIS A 172
TYR A 177
GLN A 232
TYR A 343
NCA  A1359 ( 3.2A)
FMN  A1357 ( 3.6A)
NCA  A1359 (-4.5A)
None
FMN  A1357 ( 4.2A)
0.52A 1h60A-4a3uA:
54.7
1h60A-4a3uA:
41.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ISI_A_NCAA1002_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
4 / 4 TRP A  77
GLU A  78
PHE A 173
GLU A 178
NCA  A 303 (-4.4A)
None
NCA  A 303 (-3.7A)
NCA  A 303 ( 4.4A)
0.59A 1isiA-1ismA:
40.3
1isiA-1ismA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ISI_B_NCAB1001_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
4 / 4 TRP A  77
GLU A  78
PHE A 173
GLU A 178
NCA  A 303 (-4.4A)
None
NCA  A 303 (-3.7A)
NCA  A 303 ( 4.4A)
0.47A 1isiB-1ismA:
40.2
1isiB-1ismA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ISM_A_NCAA303_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
9 / 9 TRP A  77
HIS A  81
LEU A  97
SER A  98
ASP A 107
TRP A 140
SER A 144
PHE A 173
GLU A 178
NCA  A 303 (-4.4A)
NCA  A 303 (-4.1A)
NCA  A 303 (-4.3A)
NCA  A 303 (-3.9A)
NCA  A 303 (-4.4A)
NCA  A 303 (-4.0A)
NCA  A 303 ( 3.7A)
NCA  A 303 (-3.7A)
NCA  A 303 ( 4.4A)
0.00A 1ismA-1ismA:
43.0
1ismA-1ismA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
7 / 7 TRP A  77
HIS A  81
LEU A  97
SER A  98
ASP A 107
TRP A 140
PHE A 173
NCA  A 303 (-4.4A)
NCA  A 303 (-4.1A)
NCA  A 303 (-4.3A)
NCA  A 303 (-3.9A)
NCA  A 303 (-4.4A)
NCA  A 303 (-4.0A)
NCA  A 303 (-3.7A)
0.12A 1ismB-1ismA:
40.7
1ismB-1ismA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
3 / 3 TRP A 111
PHE A 139
TRP A 140
None
None
NCA  A 303 (-4.0A)
0.29A 1r15C-1ismA:
28.8
1r15C-1ismA:
33.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
3 / 3 TRP A 111
PHE A 139
TRP A 140
None
None
NCA  A 303 (-4.0A)
0.26A 1r15F-1ismA:
28.7
1r15F-1ismA:
33.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
3 / 3 TRP A 111
PHE A 139
TRP A 140
None
None
NCA  A 303 (-4.0A)
0.29A 1r15G-1ismA:
28.8
1r15G-1ismA:
33.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
3 / 3 TRP A 111
PHE A 139
TRP A 140
None
None
NCA  A 303 (-4.0A)
0.29A 1r15H-1ismA:
28.7
1r15H-1ismA:
33.08
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
6 / 6 ALA A 263
SER A 266
PHE A 274
ASN A 345
ILE A 346
ASP A 347
XYQ  A1222 (-3.4A)
None
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
0.63A 1yc2A-2hjhA:
19.5
1yc2A-2hjhA:
25.41
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
5 / 5 ALA A 263
PHE A 274
ASN A 345
ILE A 346
ASP A 347
XYQ  A1222 (-3.4A)
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
0.56A 1yc2D-2hjhA:
19.3
1yc2D-2hjhA:
25.41
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.
1YC2_E_NCAE507_0
(NAD-DEPENDENT
DEACETYLASE 2)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
5 / 7 ILE A 271
PHE A 274
ASN A 345
ILE A 346
ASP A 347
NCA  A 900 (-4.6A)
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
0.43A 1yc2E-2hjhA:
19.9
1yc2E-2hjhA:
25.41
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
6 / 7 ALA A 263
SER A 266
ILE A 271
ASN A 345
ILE A 346
ASP A 347
XYQ  A1222 (-3.4A)
None
NCA  A 900 (-4.6A)
None
NCA  A 900 (-4.6A)
None
0.51A 1yc5A-2hjhA:
20.2
1yc5A-2hjhA:
27.07
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
4 / 7 SER A 266
ILE A 271
ASP A 273
ASP A 347
None
NCA  A 900 (-4.6A)
XYQ  A1222 (-3.7A)
None
0.79A 1yc5A-2hjhA:
20.2
1yc5A-2hjhA:
27.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
5 / 9 THR A  25
HIS A 172
TYR A 177
GLN A 232
TYR A 343
NCA  A1359 ( 3.2A)
FMN  A1357 ( 3.6A)
NCA  A1359 (-4.5A)
None
FMN  A1357 ( 4.2A)
0.57A 2abaA-4a3uA:
54.8
2abaA-4a3uA:
41.51
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
5 / 5 ALA A 263
ILE A 271
ASN A 345
ILE A 346
ASP A 347
XYQ  A1222 (-3.4A)
NCA  A 900 (-4.6A)
None
NCA  A 900 (-4.6A)
None
0.53A 2h4jA-2hjhA:
20.2
2h4jA-2hjhA:
27.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
5 / 5 ILE A 271
PRO A 272
PHE A 274
PHE A 280
ILE A 346
NCA  A 900 (-4.6A)
NCA  A 900 (-4.1A)
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
0.04A 2hjhA-2hjhA:
54.5
2hjhA-2hjhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HJH_B_NCAB901_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
4 / 5 ILE A 271
PRO A 272
PHE A 274
VAL A 315
NCA  A 900 (-4.6A)
NCA  A 900 (-4.1A)
NCA  A 900 ( 3.9A)
NCA  A 900 ( 4.5A)
0.22A 2hjhB-2hjhA:
49.6
2hjhB-2hjhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DZG_A_NCAA302_0
(ADP-RIBOSYL CYCLASE
1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
5 / 7 TRP A  77
LEU A  97
ASP A 107
TRP A 140
SER A 144
NCA  A 303 (-4.4A)
NCA  A 303 (-4.3A)
NCA  A 303 (-4.4A)
NCA  A 303 (-4.0A)
NCA  A 303 ( 3.7A)
0.43A 3dzgA-1ismA:
14.9
3dzgA-1ismA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
5 / 7 TRP A  77
LEU A  97
ASP A 107
TRP A 140
SER A 144
NCA  A 303 (-4.4A)
NCA  A 303 (-4.3A)
NCA  A 303 (-4.4A)
NCA  A 303 (-4.0A)
NCA  A 303 ( 3.7A)
0.49A 3dzgB-1ismA:
28.0
3dzgB-1ismA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
4 / 6 LEU A  97
TRP A 140
SER A 144
PHE A 173
NCA  A 303 (-4.3A)
NCA  A 303 (-4.0A)
NCA  A 303 ( 3.7A)
NCA  A 303 (-3.7A)
0.50A 3i9jB-1ismA:
27.8
3i9jB-1ismA:
33.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ROP_A_NCAA302_0
(ADP-RIBOSYL CYCLASE
1)
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo
sapiens)
4 / 6 TRP A  77
LEU A  97
TRP A 140
SER A 144
NCA  A 303 (-4.4A)
NCA  A 303 (-4.3A)
NCA  A 303 (-4.0A)
NCA  A 303 ( 3.7A)
0.29A 3ropA-1ismA:
14.6
3ropA-1ismA:
34.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
5 / 9 THR A  25
ALA A  56
HIS A 172
TYR A 177
TYR A 343
NCA  A1359 ( 3.2A)
FMN  A1357 (-3.1A)
FMN  A1357 ( 3.6A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
0.34A 3upwA-4a3uA:
47.0
3upwA-4a3uA:
33.17
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
4 / 6 ASN A 175
GLY A 176
ASP A 180
ILE A 183
NCA  A1359 ( 3.3A)
None
None
None
0.94A 3w9tF-4a3uA:
undetectable
3w9tF-4a3uA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
7 / 7 THR A  25
TRP A  66
TRP A 100
HIS A 172
ASN A 175
TYR A 177
TYR A 343
NCA  A1359 ( 3.2A)
NCA  A1359 (-4.7A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
0.01A 4a3uA-4a3uA:
69.6
4a3uA-4a3uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
7 / 7 THR A  25
TRP A  66
TRP A 100
HIS A 172
ASN A 175
TYR A 177
TYR A 343
NCA  A1359 ( 3.2A)
NCA  A1359 (-4.7A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
0.17A 4a3uB-4a3uA:
65.8
4a3uB-4a3uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
5 / 7 THR A  25
TRP A 100
HIS A 172
ASN A 175
TYR A 177
NCA  A1359 ( 3.2A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
0.28A 4awuA-4a3uA:
56.0
4awuA-4a3uA:
43.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
4 / 6 THR A  25
HIS A 172
TYR A 177
TYR A 343
NCA  A1359 ( 3.2A)
FMN  A1357 ( 3.6A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
0.29A 4df2A-4a3uA:
47.0
4df2A-4a3uA:
33.17
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
4 / 9 PHE A 445
LYS A 222
PHE A 274
ILE A 311
XYQ  A1222 ( 4.5A)
XYQ  A1222 (-1.3A)
NCA  A 900 ( 3.9A)
None
1.06A 4jvlA-2hjhA:
undetectable
4jvlA-2hjhA:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae)
5 / 7 ILE A 271
PHE A 274
ASN A 345
ILE A 346
ASP A 347
NCA  A 900 (-4.6A)
NCA  A 900 ( 3.9A)
None
NCA  A 900 (-4.6A)
None
0.28A 4rmjA-2hjhA:
31.5
4rmjA-2hjhA:
30.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M10_A_NCAA603_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale)
5 / 5 LEU A 146
ARG A 329
PHE A 434
LEU A 437
TRP A 492
NAP  A 602 ( 4.0A)
NAP  A 602 (-3.0A)
NCA  A 603 ( 3.7A)
FAD  A 601 ( 4.0A)
NAP  A 602 (-4.0A)
0.00A 5m10A-5m10A:
65.7
5m10A-5m10A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
6 / 8 THR A  25
TRP A 100
HIS A 172
ASN A 175
TYR A 177
TYR A 343
NCA  A1359 ( 3.2A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
0.35A 5v4vA-4a3uA:
48.9
5v4vA-4a3uA:
36.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis)
6 / 8 THR A  25
TRP A 100
HIS A 172
ASN A 175
TYR A 177
TYR A 343
NCA  A1359 ( 3.2A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
0.34A 5v4vB-4a3uA:
49.0
5v4vB-4a3uA:
36.50