SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2HS'


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.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 1ys2 LIPASE
(Burkholderia
cepacia) 		5 / 12 VAL X  14
LEU X 167
ASP X  55
LEU X  91
TYR X  29
 None
2HS  X 600 ( 4.5A)
None
None
2HS  X 600 (-4.9A)
 1.21A 2oipC-1ys2X:
undetectable		 2oipC-1ys2X:
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 1ys2 LIPASE
(Burkholderia
cepacia) 		5 / 12 PRO X 113
THR X 109
GLY X  90
THR X  92
LEU X 167
 None
None
None
None
2HS  X 600 ( 4.5A)
 1.21A 2uvnA-1ys2X:
undetectable		 2uvnA-1ys2X:
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.
2ZXW_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ys2 LIPASE
(Burkholderia
cepacia) 		4 / 7 LEU X 167
PHE X 119
LEU X  17
PHE X  52
 2HS  X 600 ( 4.5A)
None
2HS  X 600 (-4.1A)
None
 0.98A 2zxwC-1ys2X:
undetectable
2zxwJ-1ys2X:
undetectable		 2zxwC-1ys2X:
22.32
2zxwJ-1ys2X:
11.08
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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ys2 LIPASE
(Burkholderia
cepacia) 		4 / 6 LEU X 167
PHE X 119
LEU X  17
PHE X  52
 2HS  X 600 ( 4.5A)
None
2HS  X 600 (-4.1A)
None
 0.98A 3abkP-1ys2X:
undetectable
3abkW-1ys2X:
undetectable		 3abkP-1ys2X:
22.32
3abkW-1ys2X:
11.08
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1ys2 LIPASE
(Burkholderia
cepacia) 		5 / 8 GLY X  16
GLY X  89
SER X  87
GLY X 111
VAL X 267
 2HS  X 600 (-3.4A)
None
2HS  X 600 (-1.6A)
None
None
 1.36A 3v1nA-1ys2X:
13.0		 3v1nA-1ys2X:
23.48
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1ys2 LIPASE
(Burkholderia
cepacia) 		5 / 8 GLY X  89
GLY X  90
SER X  87
GLY X 111
VAL X 267
 None
None
2HS  X 600 (-1.6A)
None
None
 1.41A 3v1nA-1ys2X:
13.0		 3v1nA-1ys2X:
23.48
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.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ys2 LIPASE
(Burkholderia
cepacia) 		4 / 6 LEU X 167
PHE X 119
LEU X  17
PHE X  52
 2HS  X 600 ( 4.5A)
None
2HS  X 600 (-4.1A)
None
 1.02A 3wg7P-1ys2X:
undetectable
3wg7W-1ys2X:
undetectable		 3wg7P-1ys2X:
22.32
3wg7W-1ys2X:
11.08
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 1ys2 LIPASE
(Burkholderia
cepacia) 		5 / 12 ALA X 163
PHE X  52
GLY X  51
GLY X 147
LEU X 287
 None
None
None
None
2HS  X 600 ( 4.8A)
 1.17A 5ul4A-1ys2X:
3.4		 5ul4A-1ys2X:
17.20
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ys2 LIPASE
(Burkholderia
cepacia) 		4 / 6 LEU X 167
PHE X 119
LEU X  17
PHE X  52
 2HS  X 600 ( 4.5A)
None
2HS  X 600 (-4.1A)
None
 0.92A 5w97C-1ys2X:
undetectable
5w97J-1ys2X:
undetectable		 5w97C-1ys2X:
22.32
5w97J-1ys2X:
11.08
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ys2 LIPASE
(Burkholderia
cepacia) 		4 / 6 ARG X  61
GLN X 171
LEU X  17
PHE X  52
 None
None
2HS  X 600 (-4.1A)
None
 1.16A 6nmpC-1ys2X:
0.0
6nmpJ-1ys2X:
undetectable		 6nmpC-1ys2X:
22.32
6nmpJ-1ys2X:
11.08