SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3vus'

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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 8 TRP A 186
LEU A 237
MET A 233
THR A 239
 None
 1.40A 1uw6P-3vusA:
undetectable
1uw6T-3vusA:
undetectable		 1uw6P-3vusA:
22.74
1uw6T-3vusA:
22.74
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 ILE A 287
ALA A 281
LEU A 104
GLU A 180
PRO A 134
 None
 1.36A 3eigA-3vusA:
undetectable		 3eigA-3vusA:
19.78
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 8 VAL A 140
TRP A 143
HIS A 189
PHE A 164
 None
None
ZN  A 401 ( 3.4A)
None
 1.03A 3v35A-3vusA:
3.2		 3v35A-3vusA:
21.43
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.
3WSJ_A_MK1A201_2
(PROTEASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 ARG A  95
LEU A 284
ALA A 279
ILE A 287
 None
 0.93A 3wsjB-3vusA:
undetectable		 3wsjB-3vusA:
18.82
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.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 10 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
 1.31A 4eilB-3vusA:
undetectable		 4eilB-3vusA:
19.19
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
 None
 1.16A 4kyaB-3vusA:
undetectable		 4kyaB-3vusA:
19.19
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
 None
 1.16A 4kyaD-3vusA:
undetectable		 4kyaD-3vusA:
19.19
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
 None
 1.16A 4kyaF-3vusA:
undetectable		 4kyaF-3vusA:
19.19
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
 None
 1.14A 4kyaH-3vusA:
undetectable		 4kyaH-3vusA:
19.19
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.
4Q0B_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 9 LEU A  81
LYS A 107
VAL A  50
TRP A  54
LEU A 111
 None
 1.46A 4q0bC-3vusA:
undetectable		 4q0bC-3vusA:
20.51
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.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 10 ILE A 127
LEU A  74
TRP A  54
PHE A 131
LEU A 111
 None
 1.17A 5fhzC-3vusA:
undetectable		 5fhzC-3vusA:
21.44
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.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 5 ILE A  91
LEU A 237
HIS A 184
VAL A 249
 None
None
ZN  A 401 ( 3.4A)
None
 1.06A 5jmnB-3vusA:
undetectable		 5jmnB-3vusA:
13.80
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.42A 5ncdA-3vusA:
9.7
5ncdD-3vusA:
9.6		 5ncdA-3vusA:
22.41
5ncdD-3vusA:
22.41
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.41A 5ncdB-3vusA:
3.8
5ncdC-3vusA:
9.8		 5ncdB-3vusA:
22.41
5ncdC-3vusA:
22.41
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 ASP A 114
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.45A 5ncdD-3vusA:
9.6		 5ncdD-3vusA:
22.41
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		6 / 8 ASP A 114
ASP A 115
HIS A 184
HIS A 189
PRO A 251
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-4.6A)
ACT  A 402 (-3.9A)
 0.50A 5nekB-3vusA:
9.7		 5nekB-3vusA:
15.00
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 8 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.53A 5nekD-3vusA:
9.6		 5nekD-3vusA:
15.00
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.49A 5nelA-3vusA:
9.4
5nelD-3vusA:
3.9		 5nelA-3vusA:
22.41
5nelD-3vusA:
22.41
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 6 ASP A 114
HIS A 184
HIS A 189
HIS A  55
 ACT  A 402 (-3.8A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ACT  A 402 (-3.9A)
 0.46A 5nelB-3vusA:
9.6
5nelC-3vusA:
9.7		 5nelB-3vusA:
22.41
5nelC-3vusA:
22.41
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		3 / 3 HIS A  55
ASP A 115
HIS A 184
 ACT  A 402 (-3.9A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
 0.72A 5oexB-3vusA:
undetectable		 5oexB-3vusA:
21.06
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		3 / 3 HIS A  55
ASP A 115
HIS A 184
 ACT  A 402 (-3.9A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
 0.70A 5oexC-3vusA:
undetectable		 5oexC-3vusA:
21.06
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		3 / 3 HIS A  55
ASP A 115
HIS A 184
 ACT  A 402 (-3.9A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
 0.70A 5oexD-3vusA:
undetectable		 5oexD-3vusA:
21.06
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.
5QGG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 VAL A  50
VAL A 109
TYR A  86
GLN A  87
 None
 1.41A 5qggA-3vusA:
undetectable		 5qggA-3vusA:
20.59
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.
5QGO_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 VAL A  50
VAL A 109
TYR A  86
GLN A  87
 None
 1.37A 5qgoA-3vusA:
undetectable		 5qgoA-3vusA:
20.59
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.
5QGP_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 VAL A  50
VAL A 109
TYR A  86
GLN A  87
 None
 1.32A 5qgpA-3vusA:
undetectable		 5qgpA-3vusA:
20.59
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.
5QGQ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 VAL A  50
VAL A 109
TYR A  86
GLN A  87
 None
 1.42A 5qgqA-3vusA:
undetectable		 5qgqA-3vusA:
20.59
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.
5QHB_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 4 VAL A  50
VAL A 109
TYR A  86
GLN A  87
 None
 1.37A 5qhbA-3vusA:
undetectable		 5qhbA-3vusA:
20.59
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.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE
(Escherichia
coli) 		4 / 7 SER A  53
VAL A 290
TRP A  54
PHE A 301
 None
 1.41A 6av7A-3vusA:
undetectable
6av7B-3vusA:
undetectable		 6av7A-3vusA:
14.50
6av7B-3vusA:
14.50