SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ugs'

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.
1IGX_A_EPAA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		4 / 8 VAL A 151
ARG A 140
VAL A 107
VAL A 159
 None
 0.88A 1igxA-1ugsA:
undetectable		 1igxA-1ugsA:
16.08
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		3 / 3 PRO A 122
SER A 112
ASN A 124
 None
CO  A 301 (-4.1A)
None
 0.91A 3lslG-1ugsA:
undetectable		 3lslG-1ugsA:
20.00
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		4 / 7 GLN A 130
GLU A 193
GLU A 128
PRO A 122
 None
 1.17A 3ql6A-1ugsA:
undetectable		 3ql6A-1ugsA:
15.08
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		4 / 8 ILE A  85
PRO A 172
VAL A  60
TRP A  63
 None
 1.29A 4f4dB-1ugsA:
undetectable		 4f4dB-1ugsA:
21.74
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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		3 / 3 LYS A  57
LEU A  54
ALA A  56
 None
 0.74A 4ikiA-1ugsA:
undetectable		 4ikiA-1ugsA:
21.18
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.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		5 / 6 LEU A  83
ARG A  71
ASP A  65
VAL A 190
ALA A 187
 None
 1.09A 4nkxA-1ugsA:
undetectable		 4nkxA-1ugsA:
18.18
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.
4OKW_A_198A1001_1
(ANDROGEN RECEPTOR)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		5 / 12 LEU A  54
GLY A  55
MET A 195
ILE A 196
VAL A 106
 None
 1.21A 4okwA-1ugsA:
undetectable		 4okwA-1ugsA:
22.40
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		3 / 3 GLY A  51
VAL A 169
MET A 195
 None
 0.54A 5ycpA-1ugsA:
undetectable		 5ycpA-1ugsA:
18.13
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.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 1ugs NITRILE HYDRATASE
ALPHA SUBUNIT
(Pseudonocardia
thermophila) 		5 / 12 GLY A  76
ASP A  92
GLY A  87
GLY A  86
ILE A  85
 None
 0.76A 6dj1A-1ugsA:
undetectable		 6dj1A-1ugsA:
16.00