SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2cai'

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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 7 TRP A  41
THR A  47
GLY A  51
LEU A  53
 None
 0.67A 1gtiD-2caiA:
20.8		 1gtiD-2caiA:
26.67
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		5 / 12 ILE A  58
VAL A  56
VAL A   8
LEU A  24
THR A  23
 BME  A1220 ( 4.5A)
None
None
None
None
 1.01A 2aw1A-2caiA:
undetectable		 2aw1A-2caiA:
22.14
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		5 / 12 LEU A 178
TYR A 182
VAL A 166
GLU A 108
LEU A 105
 None
 1.13A 2bxfA-2caiA:
2.7		 2bxfA-2caiA:
16.87
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 6 TYR A 109
ASP A 172
GLU A 106
GLU A  18
 None
None
None
PG4  A1217 ( 4.9A)
 1.35A 2dttB-2caiA:
undetectable
2dttC-2caiA:
undetectable		 2dttB-2caiA:
19.42
2dttC-2caiA:
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.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 4 LEU A 158
ILE A  20
ILE A  74
ALA A  73
 None
 0.87A 2i30A-2caiA:
undetectable		 2i30A-2caiA:
16.87
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.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.18A 3ag1J-2caiA:
undetectable		 3ag1J-2caiA:
14.80
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.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		5 / 12 VAL A  56
ILE A   6
VAL A   8
LEU A  24
THR A  23
 None
 0.84A 3fw3B-2caiA:
undetectable		 3fw3B-2caiA:
24.37
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		3 / 3 LYS A 175
THR A 171
ILE A 164
 None
 0.87A 4e0fB-2caiA:
undetectable		 4e0fB-2caiA:
26.47
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 ILE A 127
ASP A 137
GLU A 108
VAL A 166
 None
 1.08A 4nkxC-2caiA:
undetectable		 4nkxC-2caiA:
19.07
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 ILE A 127
ASP A 137
GLU A 108
VAL A 166
 None
 1.07A 4nkxD-2caiA:
undetectable		 4nkxD-2caiA:
19.07
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_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.19A 5w97J-2caiA:
undetectable		 5w97J-2caiA:
14.80
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.13A 5x19J-2caiA:
undetectable		 5x19J-2caiA:
14.80
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.20A 5x1bJ-2caiA:
undetectable		 5x1bJ-2caiA:
14.80
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.
5X1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.21A 5x1bW-2caiA:
undetectable		 5x1bW-2caiA:
14.80
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.14A 5x1fW-2caiA:
undetectable		 5x1fW-2caiA:
14.80
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.
5Y9Y_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		3 / 3 LYS A 115
PRO A 116
LYS A 122
 None
 1.27A 5y9yA-2caiA:
undetectable		 5y9yA-2caiA:
22.05
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.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 4 ILE A  20
LEU A 161
HIS A  82
ALA A  26
 None
 1.00A 6ck2C-2caiA:
undetectable
6ck2D-2caiA:
undetectable		 6ck2C-2caiA:
8.45
6ck2D-2caiA:
8.54
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.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.20A 6nknJ-2caiA:
undetectable		 6nknJ-2caiA:
14.80
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.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.25A 6nknW-2caiA:
undetectable		 6nknW-2caiA:
14.80