SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wwp'

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.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 GLY A  83
GLY A  82
ILE A  65
SER A  58
ALA A  89
 None
 1.03A 1v2xA-3wwpA:
2.7		 1v2xA-3wwpA:
21.52
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.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 LYS A  21
ASP A 150
ASP A 165
 CIT  A 301 ( 4.9A)
None
None
 0.72A 2br4D-3wwpA:
2.2		 2br4D-3wwpA:
21.93
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		4 / 6 TYR A  57
PRO A  60
ILE A   7
ASN A  85
 None
 1.36A 2wekB-3wwpA:
3.7		 2wekB-3wwpA:
22.43
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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 ALA A  90
PRO A 108
GLY A  82
THR A  11
LEU A  88
 None
None
None
EDO  A 302 ( 2.9A)
None
 1.15A 2zifB-3wwpA:
undetectable		 2zifB-3wwpA:
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.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		4 / 6 ILE A  84
ILE A  65
TYR A  93
LEU A 183
 None
 1.07A 3adsA-3wwpA:
undetectable		 3adsA-3wwpA:
22.87
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.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 GLN A  56
PHE A 179
VAL A  39
LEU A  48
VAL A 143
 None
 1.12A 3czvA-3wwpA:
undetectable
3czvB-3wwpA:
undetectable		 3czvA-3wwpA:
20.26
3czvB-3wwpA:
20.26
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.
3FBX_A_ACTA608_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 GLU A 205
VAL A 230
CYH A 229
 None
 0.97A 3fbxA-3wwpA:
undetectable		 3fbxA-3wwpA:
18.66
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 PHE A 102
VAL A  77
ILE A   7
LEU A  88
VAL A  97
 None
 1.25A 3fpjB-3wwpA:
3.2		 3fpjB-3wwpA:
22.88
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 LEU A  76
LEU A 100
ALA A  99
ILE A  68
HIS A   5
 None
 0.99A 3q95B-3wwpA:
undetectable		 3q95B-3wwpA:
22.26
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		4 / 5 LEU A 183
LEU A 106
GLY A  83
GLY A  81
 None
 0.70A 3si7C-3wwpA:
undetectable
3si7D-3wwpA:
undetectable		 3si7C-3wwpA:
22.69
3si7D-3wwpA:
22.69
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		4 / 7 ILE A  84
GLY A  83
PHE A 214
PHE A 210
 None
 0.71A 3v7pA-3wwpA:
undetectable		 3v7pA-3wwpA:
22.12
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 ASN A 221
TRP A 217
ASP A 111
 None
 1.18A 4a7tA-3wwpA:
undetectable
4a7tF-3wwpA:
undetectable		 4a7tA-3wwpA:
23.08
4a7tF-3wwpA:
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.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 ASP A 207
TRP A 128
SER A  80
 None
EDO  A 305 (-4.7A)
EDO  A 302 (-3.3A)
 1.01A 4lrhB-3wwpA:
undetectable		 4lrhB-3wwpA:
19.33
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.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 ASP A 207
TRP A 128
SER A  80
 None
EDO  A 305 (-4.7A)
EDO  A 302 (-3.3A)
 1.09A 4lrhF-3wwpA:
undetectable		 4lrhF-3wwpA:
19.33
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.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 GLY A  81
GLY A  83
ILE A 157
THR A 152
LEU A 148
 None
None
CL  A 309 ( 4.0A)
None
None
 1.00A 4n48A-3wwpA:
undetectable		 4n48A-3wwpA:
23.04
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 GLY A  81
GLY A  83
ILE A 157
THR A 152
LEU A 148
 None
None
CL  A 309 ( 4.0A)
None
None
 1.02A 4n48B-3wwpA:
undetectable		 4n48B-3wwpA:
23.04
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.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 GLY A  81
GLY A  83
ILE A 157
THR A 152
LEU A 148
 None
None
CL  A 309 ( 4.0A)
None
None
 0.99A 4n49A-3wwpA:
undetectable		 4n49A-3wwpA:
23.04
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		3 / 3 PHE A 189
THR A  11
LEU A 183
 None
EDO  A 302 ( 2.9A)
None
 0.68A 4qztA-3wwpA:
undetectable		 4qztA-3wwpA:
18.60
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.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		4 / 7 LEU A 183
GLY A  81
GLY A  82
ILE A  86
 None
 0.64A 4yjiA-3wwpA:
undetectable		 4yjiA-3wwpA:
20.55
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.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 10 ALA A  35
ILE A  36
GLY A  82
SER A  41
GLY A  15
 None
 1.09A 5i6xA-3wwpA:
undetectable		 5i6xA-3wwpA:
18.17
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.
5IQD_A_RIOA600_0
(BIFUNCTIONAL AAC/APH)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 11 SER A  58
GLU A  55
VAL A  97
TYR A  93
GLU A  95
 None
 1.28A 5iqdA-3wwpA:
0.0		 5iqdA-3wwpA:
21.05
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.
5IQD_C_RIOC600_0
(BIFUNCTIONAL AAC/APH)		 3wwp (S)-HYDROXYNITRILE
LYASE
(Baliospermum
montanum) 		5 / 12 SER A  58
GLU A  55
VAL A  97
TYR A  93
GLU A  95
 None
 1.27A 5iqdC-3wwpA:
0.1		 5iqdC-3wwpA:
21.05