SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3vrk'

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_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 8 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
 0.23A 1ekjA-3vrkA:
13.5
1ekjB-3vrkA:
13.7		 1ekjA-3vrkA:
24.69
1ekjB-3vrkA:
24.69
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.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 8 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
 0.91A 1ekjA-3vrkA:
13.5
1ekjB-3vrkA:
13.7		 1ekjA-3vrkA:
24.69
1ekjB-3vrkA:
24.69
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.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 8 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
 0.27A 1ekjA-3vrkA:
13.5
1ekjB-3vrkA:
13.7		 1ekjA-3vrkA:
24.69
1ekjB-3vrkA:
24.69
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		4 / 7 ASP A  46
HIS A  97
GLY A  69
GLY A  70
 SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 ( 4.3A)
None
 0.84A 1ekjE-3vrkA:
13.2
1ekjF-3vrkA:
13.1		 1ekjE-3vrkA:
24.69
1ekjF-3vrkA:
24.69
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		4 / 7 CYH A  44
ASP A  46
HIS A  97
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
SCN  A 303 ( 4.2A)
 0.18A 1ekjE-3vrkA:
13.2
1ekjF-3vrkA:
13.1		 1ekjE-3vrkA:
24.69
1ekjF-3vrkA:
24.69
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 8 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
 0.19A 1ekjG-3vrkA:
13.8
1ekjH-3vrkA:
13.3		 1ekjG-3vrkA:
24.69
1ekjH-3vrkA:
24.69
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 8 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
 0.88A 1ekjG-3vrkA:
13.8
1ekjH-3vrkA:
13.3		 1ekjG-3vrkA:
24.69
1ekjH-3vrkA:
24.69
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		4 / 6 CYH A  44
ASP A  46
HIS A  97
CYH A 100
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
 0.20A 1ekjG-3vrkA:
13.7
1ekjH-3vrkA:
13.3		 1ekjG-3vrkA:
24.69
1ekjH-3vrkA:
24.69
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 12 LEU A  80
GLY A 174
ILE A  92
HIS A  96
VAL A  42
 None
 1.36A 1tmxB-3vrkA:
undetectable		 1tmxB-3vrkA:
23.73
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.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		6 / 10 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
ALA A 104
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
None
 1.11A 3ucjA-3vrkA:
13.9		 3ucjA-3vrkA:
28.11
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.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 10 CYH A  44
ASP A  46
HIS A  97
CYH A 100
ALA A 147
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
None
 1.11A 3ucjB-3vrkA:
14.2		 3ucjB-3vrkA:
28.11
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.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		6 / 10 CYH A  44
ASP A  46
HIS A  97
CYH A 100
GLY A 101
ALA A 104
 ZN  A 301 (-2.2A)
SCN  A 303 (-4.2A)
ZN  A 301 (-3.2A)
ZN  A 301 (-2.3A)
SCN  A 303 ( 4.2A)
None
 1.14A 3ucjB-3vrkA:
14.2		 3ucjB-3vrkA:
28.11
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		6 / 10 ALA A  76
ILE A 178
VAL A 194
ALA A  40
CYH A  79
ILE A  92
 None
 1.14A 4lbgA-3vrkA:
undetectable		 4lbgA-3vrkA:
22.47
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		6 / 9 ALA A  76
ILE A 178
VAL A 194
ALA A  40
CYH A  79
ILE A  92
 None
 1.18A 4lbgB-3vrkA:
undetectable		 4lbgB-3vrkA:
22.47
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		5 / 12 GLY A 196
ILE A  93
ILE A 198
LEU A  10
LEU A  54
 None
 1.02A 4pd4C-3vrkA:
undetectable		 4pd4C-3vrkA:
18.91
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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		4 / 5 GLU A  61
THR A  59
HIS A  97
LEU A  54
 None
None
ZN  A 301 (-3.2A)
None
 1.04A 5axaA-3vrkA:
2.1		 5axaA-3vrkA:
19.11
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.
5AXA_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3vrk CARBONYL SULFIDE
HYDROLASE
(Thiobacillus
thioparus) 		4 / 5 GLU A  61
THR A  59
HIS A  97
LEU A  54
 None
None
ZN  A 301 (-3.2A)
None
 1.01A 5axaC-3vrkA:
2.0		 5axaC-3vrkA:
19.11