SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'S3P'


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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.07A 2obvA-2qfqA:
undetectable
2obvA-2qfqA:
23.99
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.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.12A 2p02A-2qfqA:
undetectable
2p02A-2qfqA:
23.16
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
3 / 3 ASP A  49
ASN A  26
THR A 174
FMT  A 602 ( 4.6A)
None
S3P  A 701 ( 4.8A)
0.69A 2q63B-2qfqA:
undetectable
2q63B-2qfqA:
14.10
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio
cholerae)
3 / 3 ASP A  49
ASN A  26
THR A 175
GPJ  A 429 ( 4.7A)
None
S3P  A 427 ( 4.6A)
0.67A 2q63B-3nvsA:
undetectable
2q63B-3nvsA:
11.26
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 GLN A 171
ARG A 100
ASP A 313
SER A 244
S3P  A 701 (-4.0A)
None
S3P  A 701 ( 2.8A)
None
1.12A 2xytH-2qfqA:
undetectable
2xytH-2qfqA:
20.10
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.
4A99_D_MIYD392_1
(TETX2 PROTEIN)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 5 HIS A 128
SER A 167
SER A 169
VAL A 196
None
None
S3P  A 701 (-2.6A)
None
1.33A 4a99D-2qfqA:
undetectable
4a99D-2qfqA:
21.69
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.
4A99_D_MIYD392_1
(TETX2 PROTEIN)
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio
cholerae)
4 / 5 HIS A 128
SER A 168
SER A 170
VAL A 197
None
None
S3P  A 427 ( 2.6A)
PO4  A 438 (-4.6A)
1.30A 4a99D-3nvsA:
undetectable
4a99D-3nvsA:
24.08
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.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.09A 4kttA-2qfqA:
undetectable
4kttA-2qfqA:
23.16
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.
4KTT_C_SAMC404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.06A 4kttC-2qfqA:
undetectable
4kttC-2qfqA:
23.16
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.05A 4ndnA-2qfqA:
undetectable
4ndnA-2qfqA:
23.16
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 7 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.04A 4ndnC-2qfqA:
undetectable
4ndnC-2qfqA:
23.16
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 7 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.13A 4odjA-2qfqA:
undetectable
4odjA-2qfqA:
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.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.14A 5a1iA-2qfqA:
undetectable
5a1iA-2qfqA:
23.16
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.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 7 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.14A 5a1iA-2qfqA:
undetectable
5a1iA-2qfqA:
23.16
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.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio
cholerae)
4 / 6 ARG A 345
ASP A  49
GLY A  96
LYS A  22
GPJ  A 429 (-2.6A)
GPJ  A 429 ( 4.7A)
GPJ  A 429 (-3.2A)
S3P  A 427 (-2.6A)
1.09A 5hp1C-3nvsA:
undetectable
5hp1C-3nvsA:
22.96
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
5 / 9 SER A 169
GLY A 166
ALA A 132
VAL A 164
ILE A 191
S3P  A 701 (-2.6A)
None
None
None
None
1.49A 5i3cA-2qfqA:
undetectable
5i3cA-2qfqA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.07A 6fbnB-2qfqA:
undetectable
6fbnB-2qfqA:
23.16
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.14A 6fboA-2qfqA:
undetectable
6fboA-2qfqA:
10.50
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.09A 6fcbA-2qfqA:
undetectable
6fcbA-2qfqA:
23.16
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.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 8 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.15A 6fcdA-2qfqA:
undetectable
6fcdA-2qfqA:
10.50
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.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli)
4 / 7 HIS A 385
LYS A 411
SER A  25
ASP A 313
FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
1.14A 6g6rA-2qfqA:
undetectable
6g6rA-2qfqA:
23.16