SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wj1'

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.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		3 / 4 LYS A  52
ALA A  51
MET A 122
 None
 0.93A 1hk3A-4wj1A:
undetectable		 1hk3A-4wj1A:
20.10
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.
1ICU_B_NIOB219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		4 / 6 PHE A 174
GLU A  65
GLY A  64
THR A  22
 None
 1.16A 1icuA-4wj1A:
undetectable
1icuB-4wj1A:
undetectable		 1icuA-4wj1A:
21.55
1icuB-4wj1A:
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.
1ICU_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		4 / 6 THR A  22
PHE A 174
GLU A  65
GLY A  64
 None
 1.10A 1icuC-4wj1A:
undetectable
1icuD-4wj1A:
undetectable		 1icuC-4wj1A:
21.55
1icuD-4wj1A:
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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A  20
ILE A 113
ARG A  66
GLU A  65
GLU A  63
 None
 1.16A 1l7fA-4wj1A:
undetectable		 1l7fA-4wj1A:
17.49
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A  20
ILE A 113
ARG A  66
GLU A  65
GLU A  63
 None
 1.15A 1l7hA-4wj1A:
undetectable		 1l7hA-4wj1A:
17.49
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.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  71
ALA A  74
ALA A  75
LEU A   9
HIS A  17
 None
 0.76A 1xiuB-4wj1A:
undetectable		 1xiuB-4wj1A:
21.88
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 220
SER A  41
TYR A 266
VAL A 225
ALA A 150
 None
 1.16A 3qxvE-4wj1A:
undetectable		 3qxvE-4wj1A:
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.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		4 / 6 LYS A  80
GLY A  76
TYR A  78
ALA A  74
 None
 1.05A 4yshB-4wj1A:
undetectable		 4yshB-4wj1A:
24.30
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		3 / 3 LEU A  46
ILE A 272
TYR A 266
 None
 0.59A 5uunB-4wj1A:
undetectable		 5uunB-4wj1A:
23.66
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.
6A60_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  71
ALA A  74
ALA A  75
LEU A   9
HIS A  17
 None
 0.84A 6a60D-4wj1A:
undetectable		 6a60D-4wj1A:
13.93