SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2whl'

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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		3 / 3 GLU A 117
ILE A 114
ARG A  70
 None
 0.76A 1cd2A-2whlA:
undetectable		 1cd2A-2whlA:
20.27
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.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 12 ASP A 177
ILE A 145
PRO A 146
ASP A 150
THR A 187
 None
 1.23A 1kijA-2whlA:
undetectable		 1kijA-2whlA:
21.20
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.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 6 SER A 259
THR A 258
ASN A 256
ASP A 264
 None
None
MAN  A1301 (-3.6A)
None
 1.24A 1mxdA-2whlA:
9.2		 1mxdA-2whlA:
22.52
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.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		3 / 3 ASP A  89
THR A  91
GLU A 222
 None
MAN  A1301 ( 4.4A)
None
 0.76A 1pj7A-2whlA:
undetectable		 1pj7A-2whlA:
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 10 GLY A 224
GLU A 195
VAL A 232
GLY A 198
HIS A 192
 None
 1.15A 1pwyE-2whlA:
undetectable		 1pwyE-2whlA:
22.08
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 6 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.30A 2cl5B-2whlA:
undetectable		 2cl5B-2whlA:
23.23
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.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		3 / 3 GLN A 166
THR A  91
TRP A 251
 None
MAN  A1301 ( 4.4A)
MAN  A1301 (-4.5A)
 1.15A 2rctA-2whlA:
undetectable		 2rctA-2whlA:
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.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		6 / 12 ASN A 126
GLU A 127
HIS A 192
TYR A 194
GLU A 222
TRP A 251
 None
None
None
None
None
MAN  A1301 (-4.5A)
 0.73A 2v3dA-2whlA:
15.2		 2v3dA-2whlA:
20.80
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 11 ASN A 126
GLU A 127
TYR A 194
GLU A 222
TRP A 251
 None
None
None
None
MAN  A1301 (-4.5A)
 0.82A 2v3dB-2whlA:
5.7		 2v3dB-2whlA:
20.80
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.
3EKQ_A_ROCA100_2
(PROTEASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 9 LEU A 157
VAL A  85
ILE A  69
ILE A 107
ILE A 122
 None
 1.06A 3ekqB-2whlA:
undetectable		 3ekqB-2whlA:
15.65
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.
3EKQ_A_ROCA100_2
(PROTEASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 9 LEU A 157
VAL A  85
ILE A  73
ILE A 114
ILE A 122
 None
 0.95A 3ekqB-2whlA:
undetectable		 3ekqB-2whlA:
15.65
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.
3EKW_B_DR7B100_2
(PROTEASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 12 ILE A  53
VAL A  54
GLY A  28
ALA A  42
ILE A  43
 None
 0.84A 3ekwB-2whlA:
undetectable		 3ekwB-2whlA:
15.65
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 6 MET A  81
LEU A 218
ILE A  40
ILE A  25
 None
 0.90A 3gcsA-2whlA:
undetectable		 3gcsA-2whlA:
23.56
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 12 LEU A 157
VAL A  85
ILE A  69
ILE A 107
ILE A 122
 None
 0.99A 3k4vC-2whlA:
undetectable		 3k4vC-2whlA:
16.67
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 12 LEU A 157
VAL A  85
ILE A  73
ILE A 114
ILE A 122
 None
 1.03A 3k4vC-2whlA:
undetectable		 3k4vC-2whlA:
16.67
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 12 TRP A 251
ASP A  57
GLU A  86
ALA A  30
GLY A  59
 MAN  A1301 (-4.5A)
None
None
None
None
 1.02A 4hfpD-2whlA:
undetectable		 4hfpD-2whlA:
21.09
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 11 ILE A  73
ALA A  83
GLU A  86
GLY A  24
GLU A  77
 None
 1.46A 4jdsD-2whlA:
undetectable		 4jdsD-2whlA:
19.87
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.
4XJE_A_TOYA202_1
(AADB)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 8 ASP A 213
TYR A 240
ASP A 209
ILE A 220
 None
 1.04A 4xjeA-2whlA:
undetectable		 4xjeA-2whlA:
21.26
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.
4XUC_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 4 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.25A 4xucA-2whlA:
0.6		 4xucA-2whlA:
22.77
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.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 5 ASP A  14
PHE A  20
PHE A   5
VAL A  82
 None
 1.19A 5a1rA-2whlA:
undetectable		 5a1rA-2whlA:
20.65
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 8 ASP A 213
TYR A 240
ASP A 209
ILE A 220
 None
 1.04A 5cfsA-2whlA:
undetectable		 5cfsA-2whlA:
21.26
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 5 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.29A 5fhrA-2whlA:
undetectable		 5fhrA-2whlA:
22.80
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.
5FHR_B_SAMB303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 5 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.29A 5fhrB-2whlA:
undetectable		 5fhrB-2whlA:
22.80
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		4 / 5 PHE A 223
LEU A 288
GLY A 287
ILE A 237
 None
 0.99A 5ik1A-2whlA:
undetectable		 5ik1A-2whlA:
21.55
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 9 LEU A 157
VAL A  85
ILE A  69
ILE A 107
ILE A 122
 None
 1.11A 5kqxB-2whlA:
undetectable		 5kqxB-2whlA:
16.67
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 9 LEU A 157
VAL A  85
ILE A  73
ILE A 114
ILE A 122
 None
 1.06A 5kqxB-2whlA:
undetectable		 5kqxB-2whlA:
16.67
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.
5TIW_B_OAQB302_0
(SULFOTRANSFERASE)		 2whl BETA-MANNANASE
(Salipaludibacill
us
agaradhaerens) 		5 / 12 PRO A 183
ILE A 122
ASP A 182
LEU A 184
ILE A 107
 None
 1.10A 5tiwB-2whlA:
undetectable		 5tiwB-2whlA:
20.46