SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4w5j'

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.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		6 / 12 ARG A  89
ASP A  85
GLY A  14
ALA A  17
ILE A 204
ILE A   5
 AP5  A 302 (-2.7A)
MG  A 301 ( 4.6A)
AP5  A 302 (-3.5A)
None
None
None
 1.50A 2bpxB-4w5jA:
undetectable		 2bpxB-4w5jA:
16.13
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 125
ASP A 159
ASP A 158
THR A 137
ASP A  33
 None
None
AP5  A 302 ( 4.6A)
AP5  A 302 (-3.0A)
None
 1.32A 2q58A-4w5jA:
undetectable		 2q58A-4w5jA:
20.33
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.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 12 ASP A  98
LEU A  97
ILE A  77
SER A  73
LEU A  84
 None
 1.22A 3nrrB-4w5jA:
2.6		 3nrrB-4w5jA:
19.57
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.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		4 / 4 LEU A   3
GLY A 110
LEU A 108
GLU A 109
 None
 1.03A 3tgvB-4w5jA:
undetectable		 3tgvB-4w5jA:
20.18
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		6 / 11 ALA A  94
LEU A   4
ASP A  98
LEU A 101
THR A  31
ILE A  29
 None
None
None
None
AP5  A 302 (-3.6A)
None
 1.33A 3tqbA-4w5jA:
3.1		 3tqbA-4w5jA:
19.67
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 11 ASP A  33
GLY A  14
SER A  30
GLY A  86
ASP A 159
 None
AP5  A 302 (-3.5A)
AP5  A 302 ( 4.9A)
AP5  A 302 (-4.3A)
None
 1.13A 4mm9A-4w5jA:
undetectable		 4mm9A-4w5jA:
19.63
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 12 GLY A  12
GLN A  16
ALA A  11
VAL A 116
ILE A 204
 AP5  A 302 (-3.3A)
None
AP5  A 302 (-4.5A)
None
None
 1.15A 4pd5A-4w5jA:
undetectable		 4pd5A-4w5jA:
20.58
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.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 12 GLY A  12
GLN A  16
ALA A  11
VAL A 116
ILE A 204
 AP5  A 302 (-3.3A)
None
AP5  A 302 (-4.5A)
None
None
 1.14A 4pd9A-4w5jA:
undetectable		 4pd9A-4w5jA:
20.58
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		4 / 7 THR A 137
ARG A 124
GLY A  12
GLY A  14
 AP5  A 302 (-3.0A)
AP5  A 302 (-3.5A)
AP5  A 302 (-3.3A)
AP5  A 302 (-3.5A)
 0.85A 4rdxA-4w5jA:
2.4		 4rdxA-4w5jA:
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.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 10 ARG A 124
LEU A 121
ILE A 179
ILE A   5
VAL A 116
 AP5  A 302 (-3.5A)
None
None
None
None
 0.99A 5kr1A-4w5jA:
undetectable		 5kr1A-4w5jA:
18.54
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		4 / 6 LYS A  69
LEU A  72
PHE A  82
LEU A  84
 None
 1.03A 5x19P-4w5jA:
undetectable		 5x19P-4w5jA:
20.16
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		4 / 7 LYS A  69
LEU A  72
PHE A  82
LEU A  84
 None
 1.03A 5x1fP-4w5jA:
undetectable
5x1fW-4w5jA:
undetectable		 5x1fP-4w5jA:
20.16
5x1fW-4w5jA:
12.57
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		4 / 4 VAL A 188
LEU A 187
LEU A 108
ASP A  98
 None
 1.19A 5xv7A-4w5jA:
undetectable		 5xv7A-4w5jA:
14.49