SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4nbw'

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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		3 / 3 ALA A  29
VAL A  40
TRP A  42
 None
 1.01A 1gmkC-4nbwA:
undetectable
1gmkD-4nbwA:
undetectable		 1gmkC-4nbwA:
4.78
1gmkD-4nbwA:
4.78
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.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		3 / 3 ALA A  78
VAL A  80
TRP A  42
 None
 0.87A 1nt5A-4nbwA:
undetectable		 1nt5A-4nbwA:
5.15
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.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		3 / 3 ALA A  78
VAL A  80
TRP A  42
 None
 0.87A 1nt5B-4nbwA:
undetectable		 1nt5B-4nbwA:
5.15
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 5 GLY A 176
ILE A 178
VAL A 171
SER A 156
 None
 1.26A 1rs7A-4nbwA:
undetectable		 1rs7A-4nbwA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		8 / 11 GLY A  19
ALA A  21
ASP A  43
LEU A  44
ASP A  69
VAL A  70
ALA A  97
VAL A 128
 NAD  A 301 (-3.2A)
NAD  A 301 ( 3.7A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
 0.35A 1uayA-4nbwA:
31.2		 1uayA-4nbwA:
35.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		8 / 10 GLY A  19
ALA A  21
ASP A  43
LEU A  44
ASP A  69
VAL A  70
ALA A  97
VAL A 128
 NAD  A 301 (-3.2A)
NAD  A 301 ( 3.7A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
 0.42A 1uayB-4nbwA:
31.9		 1uayB-4nbwA:
35.34
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		5 / 12 GLY A  19
ASP A  43
ASP A  69
ASN A  96
ALA A  97
 NAD  A 301 (-3.2A)
NAD  A 301 (-2.4A)
NAD  A 301 (-3.0A)
NAD  A 301 (-2.9A)
NAD  A 301 (-3.8A)
 0.94A 2bm9E-4nbwA:
5.8		 2bm9E-4nbwA:
21.90
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.
2NNK_A_ROCA401_1
(PROTEASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		5 / 12 GLY A 132
ASP A  69
GLY A  19
VAL A  80
VAL A  76
 None
NAD  A 301 (-3.0A)
NAD  A 301 (-3.2A)
None
None
 0.97A 2nnkA-4nbwA:
undetectable		 2nnkA-4nbwA:
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		5 / 12 GLY A  19
ALA A  27
ASP A  69
VAL A  70
VAL A 128
 NAD  A 301 (-3.2A)
None
NAD  A 301 (-3.0A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.9A)
 0.94A 3dmfA-4nbwA:
7.2		 3dmfA-4nbwA:
25.53
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.
3PYY_A_STIA3_2
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 6 VAL A 140
VAL A  40
ILE A  84
ARG A 151
 None
 1.11A 3pyyA-4nbwA:
undetectable		 3pyyA-4nbwA:
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		6 / 12 THR A 205
GLY A  19
ILE A  24
ASP A  43
LEU A  44
ASP A  69
 NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.2A)
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
 1.44A 3q87B-4nbwA:
2.0		 3q87B-4nbwA:
19.77
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 5 SER A 157
ILE A  24
TYR A 170
GLY A 201
 NAD  A 301 (-2.6A)
NAD  A 301 (-3.2A)
NAD  A 301 (-4.6A)
NAD  A 301 (-4.6A)
 0.94A 3uboB-4nbwA:
7.1		 3uboB-4nbwA:
22.47
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		5 / 11 GLY A  19
THR A  28
ASP A  43
LEU A  44
ASP A  69
 NAD  A 301 (-3.2A)
None
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
 1.07A 4pghA-4nbwA:
6.0		 4pghA-4nbwA:
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		5 / 12 GLY A  19
THR A  28
ASP A  43
LEU A  44
ASP A  69
 NAD  A 301 (-3.2A)
None
NAD  A 301 (-2.4A)
NAD  A 301 (-4.3A)
NAD  A 301 (-3.0A)
 1.19A 4pghB-4nbwA:
6.1		 4pghB-4nbwA:
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.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 5 ILE A  83
VAL A  80
PHE A 134
HIS A  38
 None
 1.35A 4rzvA-4nbwA:
undetectable		 4rzvA-4nbwA:
23.47
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		5 / 12 LEU A  44
ASP A  43
GLY A  19
ALA A  97
ILE A  99
 NAD  A 301 (-4.3A)
NAD  A 301 (-2.4A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.8A)
NAD  A 301 ( 4.6A)
 0.96A 4xdrA-4nbwA:
undetectable		 4xdrA-4nbwA:
25.29
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.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 6 ILE A 203
PRO A 231
ILE A  17
VAL A  94
 NAD  A 301 (-4.2A)
None
None
None
 0.99A 4zj8A-4nbwA:
5.5		 4zj8A-4nbwA:
19.10
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.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 7 GLY A  23
GLY A  19
TYR A 238
ALA A  27
 NAD  A 301 (-3.5A)
NAD  A 301 (-3.2A)
None
None
 0.78A 5e26C-4nbwA:
undetectable
5e26D-4nbwA:
undetectable		 5e26C-4nbwA:
21.49
5e26D-4nbwA:
21.49
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.
6CB4_A_BEZA501_0
(CANAVALIN)		 4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Plesiocystis
pacifica) 		4 / 8 ASN A 154
VAL A 195
LEU A 188
ILE A 152
 None
 0.84A 6cb4A-4nbwA:
undetectable		 6cb4A-4nbwA:
20.41