SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ccw'

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.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 5 GLY A  43
GLN A  44
VAL A 115
SER A  96
 None
 1.43A 1p6kB-4ccwA:
undetectable		 1p6kB-4ccwA:
20.85
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		6 / 10 ARG A 256
LEU A 160
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 1.18A 1sdtA-4ccwA:
undetectable		 1sdtA-4ccwA:
17.47
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 11 ARG A 256
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 0.90A 1sduA-4ccwA:
undetectable		 1sduA-4ccwA:
17.47
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 10 ASP A  88
TRP A  71
GLY A 133
GLY A 132
SER A 130
 None
None
None
None
VKC  A1294 ( 3.8A)
 1.20A 1w76B-4ccwA:
12.4		 1w76B-4ccwA:
21.47
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.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 9 GLY A  63
ALA A  64
SER A 130
LEU A 131
HIS A 274
 None
VKC  A1294 (-3.4A)
VKC  A1294 ( 3.8A)
None
VKC  A1294 ( 4.9A)
 0.65A 1y7iA-4ccwA:
17.9		 1y7iA-4ccwA:
22.19
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.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 10 ALA A  64
SER A 130
LEU A 131
PHE A 182
HIS A 274
 VKC  A1294 (-3.4A)
VKC  A1294 ( 3.8A)
None
VKC  A1294 (-4.5A)
VKC  A1294 ( 4.9A)
 1.07A 1y7iB-4ccwA:
17.8		 1y7iB-4ccwA:
22.19
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.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 5 GLY A  43
GLN A  44
VAL A 115
SER A  96
 None
 1.48A 1zzuA-4ccwA:
undetectable		 1zzuA-4ccwA:
20.70
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.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 11 TYR A  22
SER A  25
ILE A  75
HIS A  62
TRP A  71
 None
 1.12A 2a58A-4ccwA:
undetectable
2a58E-4ccwA:
undetectable		 2a58A-4ccwA:
20.39
2a58E-4ccwA:
20.39
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.
2A58_C_RBFC302_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A  75
HIS A  62
TRP A  71
TYR A  22
SER A  25
 None
 1.13A 2a58B-4ccwA:
undetectable
2a58C-4ccwA:
2.1		 2a58B-4ccwA:
20.39
2a58C-4ccwA:
20.39
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.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 11 ILE A  75
HIS A  62
TRP A  71
TYR A  22
SER A  25
 None
 1.12A 2a58C-4ccwA:
2.1
2a58D-4ccwA:
undetectable		 2a58C-4ccwA:
20.39
2a58D-4ccwA:
20.39
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 8 ASP A  88
TYR A  37
TYR A  18
TYR A  22
 None
 1.21A 2ha2B-4ccwA:
13.0		 2ha2B-4ccwA:
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 LEU A 160
LEU A 241
ILE A 152
GLY A 133
LEU A 134
 None
 1.08A 2j7xA-4ccwA:
undetectable		 2j7xA-4ccwA:
23.01
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.
2R5P_B_MK1B902_1
(PROTEASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ARG A 256
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 0.90A 2r5pA-4ccwA:
undetectable		 2r5pA-4ccwA:
15.81
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.
2R5P_D_MK1D902_1
(PROTEASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ARG A 256
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 0.90A 2r5pC-4ccwA:
undetectable		 2r5pC-4ccwA:
15.81
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)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 7 SER A  67
HIS A  62
TYR A  22
TYR A  18
 None
 1.23A 2vmyA-4ccwA:
undetectable
2vmyB-4ccwA:
undetectable		 2vmyA-4ccwA:
23.00
2vmyB-4ccwA:
23.00
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 8 TYR A  22
TYR A  18
SER A  67
HIS A  62
 None
 1.27A 2vmyA-4ccwA:
undetectable
2vmyB-4ccwA:
undetectable		 2vmyA-4ccwA:
23.00
2vmyB-4ccwA:
23.00
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.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 SER A 277
GLY A 132
GLY A 128
THR A 136
ILE A  89
 None
 0.92A 2wa2B-4ccwA:
undetectable		 2wa2B-4ccwA:
22.16
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.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 PHE A 162
PHE A  66
PHE A 201
ALA A 170
PHE A 182
 None
VKC  A1294 ( 4.1A)
None
VKC  A1294 (-3.5A)
VKC  A1294 (-4.5A)
 1.49A 3apxA-4ccwA:
undetectable		 3apxA-4ccwA:
19.41
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.
3HCO_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 10 LEU A 131
ARG A 105
PRO A  98
SER A 211
GLY A 103
 None
 1.27A 3hcoB-4ccwA:
2.4		 3hcoB-4ccwA:
21.24
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 7 LEU A 131
ARG A 105
PRO A  98
SER A 211
GLY A 103
 None
 1.32A 3hcrB-4ccwA:
2.7		 3hcrB-4ccwA:
21.24
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 7 HIS A 274
LEU A 129
GLY A 242
ALA A 272
 VKC  A1294 ( 4.9A)
None
None
None
 0.95A 3tehB-4ccwA:
undetectable		 3tehB-4ccwA:
17.72
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.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 LEU A  61
LEU A 153
ALA A 151
ILE A  75
LEU A  58
 None
 1.04A 3vrmA-4ccwA:
undetectable		 3vrmA-4ccwA:
22.91
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.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ALA A 150
SER A 149
VAL A 147
PHE A 139
HIS A 135
 None
 1.25A 4c49A-4ccwA:
undetectable		 4c49A-4ccwA:
20.91
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.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 11 VAL A 275
SER A 130
PHE A 182
ALA A  64
PHE A 201
 None
VKC  A1294 ( 3.8A)
VKC  A1294 (-4.5A)
VKC  A1294 (-3.4A)
None
 1.30A 4evrA-4ccwA:
3.2		 4evrA-4ccwA:
22.17
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.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 LEU A 160
LEU A 241
ILE A 152
GLY A 133
LEU A 134
 None
 1.10A 4j26A-4ccwA:
undetectable		 4j26A-4ccwA:
23.08
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.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 6 VAL A 288
ALA A 151
THR A  84
LEU A  60
 None
 0.79A 4o0uA-4ccwA:
undetectable		 4o0uA-4ccwA:
21.98
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.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 11 GLY A 132
ALA A 150
ILE A 237
LEU A 239
LEU A 240
 None
 1.03A 4xumB-4ccwA:
undetectable		 4xumB-4ccwA:
23.77
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.
5FSA_A_X2NA590_2
(CYP51 VARIANT1)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		3 / 3 PRO A 214
ILE A 247
SER A 102
 None
 0.63A 5fsaA-4ccwA:
undetectable		 5fsaA-4ccwA:
20.32
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 8 ASP A  92
TYR A 108
ASN A 213
SER A 130
 None
None
None
VKC  A1294 ( 3.8A)
 0.82A 5l1fA-4ccwA:
undetectable
5l1fB-4ccwA:
undetectable		 5l1fA-4ccwA:
17.65
5l1fB-4ccwA:
17.65
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.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 0.89A 5n0sA-4ccwA:
undetectable		 5n0sA-4ccwA:
21.07
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.
5N0T_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 1.00A 5n0tA-4ccwA:
undetectable		 5n0tA-4ccwA:
21.07
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 1.01A 5n0tB-4ccwA:
1.8		 5n0tB-4ccwA:
21.07
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.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 0.99A 5n0wB-4ccwA:
undetectable		 5n0wB-4ccwA:
21.38
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.
5N0X_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 0.99A 5n0xA-4ccwA:
undetectable		 5n0xA-4ccwA:
21.07
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.
5N4I_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 0.96A 5n4iA-4ccwA:
undetectable		 5n4iA-4ccwA:
20.87
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.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 10 LEU A  60
HIS A  62
ILE A 127
GLY A 128
GLY A 132
 None
 0.82A 5o96C-4ccwA:
undetectable
5o96D-4ccwA:
undetectable		 5o96C-4ccwA:
23.17
5o96D-4ccwA:
23.17