SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '12P'


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.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		 6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE
(Synechocystis
sp.
PCC
6803;
Deinococcus
radiodurans) 		4 / 8 ASP A 171
VAL A 173
HIS A 291
GLY A 169
 None
None
12P  A 808 (-4.6A)
12P  A 808 (-3.6A)
 0.92A 1ekjA-6fhtA:
undetectable
1ekjB-6fhtA:
undetectable		 1ekjA-6fhtA:
undetectable
1ekjB-6fhtA:
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 8 ARG A 592
GLU A 596
HIS A 535
TYR A 366
 None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
 1.28A 1nx9A-3m7pA:
undetectable		 1nx9A-3m7pA:
17.90
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 8 ARG A 592
GLU A 596
HIS A 535
TYR A 366
 None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
 1.27A 1nx9B-3m7pA:
undetectable		 1nx9B-3m7pA:
17.90
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 8 ARG A 592
GLU A 596
HIS A 535
TYR A 366
 None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
 1.29A 1nx9C-3m7pA:
undetectable		 1nx9C-3m7pA:
17.90
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3m7p FN1 PROTEIN
(Homo
sapiens) 		4 / 8 ARG A 592
GLU A 596
HIS A 535
TYR A 366
 None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
 1.29A 1nx9D-3m7pA:
undetectable		 1nx9D-3m7pA:
17.90
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.
2F7A_B_ACTB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4p2z ION TRANSPORT
PROTEIN
(Magnetococcus
marinus) 		4 / 4 HIS A 192
PRO A 193
ASN A 194
TYR A 153
 12P  A 301 (-4.0A)
12P  A 301 (-4.4A)
12P  A 301 (-4.6A)
12P  A 301 (-4.6A)
 0.82A 2f7aB-4p2zA:
undetectable		 2f7aB-4p2zA:
19.42
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.
2F7A_B_ACTB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 5hvd ION TRANSPORT
PROTEIN
(Magnetococcus
marinus) 		4 / 4 HIS A 192
PRO A 193
ASN A 194
TYR A 153
 12P  A 305 (-4.2A)
12P  A 305 (-3.8A)
2CV  A 304 ( 4.2A)
12P  A 305 (-4.8A)
 0.91A 2f7aB-5hvdA:
undetectable		 2f7aB-5hvdA:
21.20
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4psu ALPHA/BETA HYDROLASE
(Rhodopseudomonas
palustris) 		4 / 7 SER A  55
HIS A 271
HIS A 274
TYR A 199
 None
None
None
12P  A 301 ( 4.7A)
 1.15A 2vmyA-4psuA:
undetectable
2vmyB-4psuA:
undetectable		 2vmyA-4psuA:
22.09
2vmyB-4psuA:
22.09
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4psu ALPHA/BETA HYDROLASE
(Rhodopseudomonas
palustris) 		4 / 8 TYR A 199
SER A  55
HIS A 271
HIS A 274
 12P  A 301 ( 4.7A)
None
None
None
 1.13A 2vmyA-4psuA:
undetectable
2vmyB-4psuA:
undetectable		 2vmyA-4psuA:
22.09
2vmyB-4psuA:
22.09
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 2vul GH11 XYLANASE
(Escherichia
coli) 		4 / 7 TYR A  91
TYR A  80
TYR A 175
TYR A  39
 None
None
12P  A1199 (-4.2A)
None
 1.31A 3ku9B-2vulA:
undetectable		 3ku9B-2vulA:
16.43
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 3ltm ALPHA-REP4
(synthetic
construct) 		5 / 12 GLY A  44
GLY A  47
VAL A  52
ALA A  70
ALA A  69
 None
None
None
None
12P  A1002 (-3.8A)
 1.06A 3mteA-3ltmA:
undetectable		 3mteA-3ltmA:
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 3ltm ALPHA-REP4
(synthetic
construct) 		5 / 12 GLY A  44
GLY A  47
VAL A  52
ALA A  70
ALA A  69
 None
None
None
None
12P  A1002 (-3.8A)
 1.03A 3p2kD-3ltmA:
undetectable		 3p2kD-3ltmA:
23.29
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.
4F8Y_D_VK3D202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 4psu ALPHA/BETA HYDROLASE
(Rhodopseudomonas
palustris) 		4 / 5 TRP A  14
ARG A  57
TYR A 199
LEU A 202
 None
None
12P  A 301 ( 4.7A)
None
 1.49A 4f8yC-4psuA:
3.3
4f8yD-4psuA:
2.2		 4f8yC-4psuA:
23.20
4f8yD-4psuA:
23.20
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.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2j0r HEMIN TRANSPORT
PROTEIN HEMS
(Yersinia
enterocolitica) 		4 / 7 ARG A 276
VAL A 272
PHE A 256
GLU A  76
 None
None
None
12P  A1352 (-4.0A)
 1.49A 4jseA-2j0rA:
undetectable
4jseB-2j0rA:
undetectable		 4jseA-2j0rA:
20.82
4jseB-2j0rA:
20.82
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 4psu ALPHA/BETA HYDROLASE
(Rhodopseudomonas
palustris) 		5 / 12 HIS A 208
HIS A 274
HIS A 114
GLY A  48
TYR A 199
 None
None
None
None
12P  A 301 ( 4.7A)
 1.01A 4lxzA-4psuA:
undetectable		 4lxzA-4psuA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2vul GH11 XYLANASE
(Escherichia
coli) 		7 / 12 VAL A  50
TRP A  82
TYR A  91
PRO A 130
TRP A 142
TYR A 175
GLY A 182
 None
12P  A1199 ( 4.7A)
None
12P  A1199 ( 4.6A)
None
12P  A1199 (-4.2A)
None
 0.82A 5tzoA-2vulA:
28.5		 5tzoA-2vulA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2vul GH11 XYLANASE
(Escherichia
coli) 		6 / 12 VAL A  50
TRP A  82
TYR A  91
TRP A 142
TYR A 175
GLY A 182
 None
12P  A1199 ( 4.7A)
None
None
12P  A1199 (-4.2A)
None
 0.76A 5tzoB-2vulA:
28.5		 5tzoB-2vulA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		 2vul GH11 XYLANASE
(Escherichia
coli) 		3 / 3 ARG A 126
PRO A 130
TYR A 183
 None
12P  A1199 ( 4.6A)
None
 0.55A 5tzoB-2vulA:
28.5		 5tzoB-2vulA:
51.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2vul GH11 XYLANASE
(Escherichia
coli) 		7 / 12 VAL A  50
TRP A  82
TYR A  91
PRO A 130
TRP A 142
TYR A 175
GLY A 182
 None
12P  A1199 ( 4.7A)
None
12P  A1199 ( 4.6A)
None
12P  A1199 (-4.2A)
None
 0.89A 5tzoC-2vulA:
28.4		 5tzoC-2vulA:
51.44