SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3lub'

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
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.23A 1v7zA-3lubA:
26.0		 1v7zA-3lubA:
28.62
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.25A 1v7zB-3lubA:
25.8		 1v7zB-3lubA:
28.62
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.25A 1v7zC-3lubA:
25.8		 1v7zC-3lubA:
28.62
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.23A 1v7zD-3lubA:
25.9		 1v7zD-3lubA:
28.62
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.23A 1v7zE-3lubA:
26.0		 1v7zE-3lubA:
28.62
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.22A 1v7zF-3lubA:
25.8		 1v7zF-3lubA:
28.62
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.
1W5U_D_DVAD8_0
(GRAMICIDIN D)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		3 / 3 VAL A 217
VAL A 213
TRP A 208
 None
 0.95A 1w5uC-3lubA:
undetectable
1w5uD-3lubA:
undetectable		 1w5uC-3lubA:
4.82
1w5uD-3lubA:
4.82
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.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		3 / 3 VAL A 213
TRP A 208
VAL A 217
 None
 0.86A 2izqA-3lubA:
undetectable
2izqB-3lubA:
undetectable		 2izqA-3lubA:
4.82
2izqB-3lubA:
4.82
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.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 5 ALA A 143
ALA A  53
ALA A  54
VAL A  22
 None
 0.93A 2nyrB-3lubA:
undetectable		 2nyrB-3lubA:
24.33
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 6 MET A  68
PRO A  70
ILE A  24
LEU A 113
 None
 1.37A 2wekB-3lubA:
undetectable		 2wekB-3lubA:
22.64
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.31A 3a6jA-3lubA:
25.9		 3a6jA-3lubA:
28.62
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 7 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.33A 3a6jB-3lubA:
25.8		 3a6jB-3lubA:
28.62
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.31A 3a6jC-3lubA:
25.8		 3a6jC-3lubA:
28.62
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.34A 3a6jE-3lubA:
25.9		 3a6jE-3lubA:
28.62
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		6 / 8 GLU A  31
HIS A  33
ASP A  42
HIS A 119
HIS A 162
GLU A 167
 ZN  A 301 (-2.6A)
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 4.6A)
ZN  A 302 (-2.1A)
 0.28A 3a6jF-3lubA:
25.8		 3a6jF-3lubA:
28.62
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.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 6 GLY A  28
HIS A  76
HIS A  88
CYH A  86
 None
 1.36A 3ai8B-3lubA:
undetectable		 3ai8B-3lubA:
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.
3HLW_A_CE3A303_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 4 ASN A   2
SER A  59
SER A  61
ARG A  60
 None
 1.14A 3hlwA-3lubA:
0.0		 3hlwA-3lubA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 5 ASN A   2
SER A  59
SER A  61
ARG A  60
 None
 1.15A 3hlwB-3lubA:
undetectable		 3hlwB-3lubA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_C_DVAC6_0
(GRAMICIDIN D)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		3 / 3 ALA A 163
VAL A 217
TRP A 208
 None
 0.85A 3l8lC-3lubA:
undetectable
3l8lD-3lubA:
undetectable		 3l8lC-3lubA:
4.82
3l8lD-3lubA:
5.22
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.
3L8L_D_DVAD8_0
(GRAMICIDIN D)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		3 / 3 VAL A 217
VAL A 213
TRP A 208
 None
 0.95A 3l8lC-3lubA:
undetectable
3l8lD-3lubA:
undetectable		 3l8lC-3lubA:
4.82
3l8lD-3lubA:
5.22
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.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		5 / 10 GLY A 118
ALA A  29
GLY A  28
HIS A 162
HIS A  76
 None
ZN  A 301 ( 4.7A)
None
ZN  A 301 ( 4.6A)
None
 1.29A 4c5nB-3lubA:
2.0		 4c5nB-3lubA:
22.22
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 7 GLY A 118
ALA A 163
GLU A 167
GLN A  94
 None
None
ZN  A 302 (-2.1A)
None
 0.98A 4g0uB-3lubA:
3.4		 4g0uB-3lubA:
15.42
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 6 GLY A 118
ALA A 163
GLU A 167
GLN A  94
 None
None
ZN  A 302 (-2.1A)
None
 0.94A 4g0uA-3lubA:
1.6		 4g0uA-3lubA:
15.42
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.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		5 / 11 HIS A  33
HIS A 162
ASP A  42
HIS A 119
GLY A 118
 ZN  A 302 (-3.3A)
ZN  A 301 ( 4.6A)
ZN  A 302 ( 2.4A)
ZN  A 301 (-3.4A)
None
 1.41A 4qa0B-3lubA:
undetectable		 4qa0B-3lubA:
21.36
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.
5KBW_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		5 / 12 LEU A  37
ASP A 214
GLY A 185
LEU A 181
ALA A 223
 None
 1.30A 5kbwA-3lubA:
undetectable		 5kbwA-3lubA:
24.66
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		5 / 12 LEU A  37
ASP A 214
GLY A 185
LEU A 181
ALA A 223
 None
 1.38A 5kc4E-3lubA:
undetectable		 5kc4E-3lubA:
24.66
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.
5M8R_D_MMSD509_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3lub PUTATIVE CREATININE
AMIDOHYDROLASE
(Bacteroides
fragilis) 		4 / 8 HIS A 119
SER A 166
HIS A  33
HIS A 162
 ZN  A 301 (-3.4A)
None
ZN  A 302 (-3.3A)
ZN  A 301 ( 4.6A)
 1.01A 5m8rD-3lubA:
undetectable		 5m8rD-3lubA:
21.48