SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aui'

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.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		4 / 5 GLU A 122
ARG A 129
LYS A  87
ASP A 131
 None
PO4  A 401 (-2.9A)
None
None
 1.26A 1rrjA-4auiA:
undetectable		 1rrjA-4auiA:
19.97
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		4 / 7 PHE A 249
THR A 261
ASP A 263
HIS A 247
 None
 1.08A 3t01A-4auiA:
undetectable		 3t01A-4auiA:
21.57
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.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		3 / 3 PRO A 121
ASN A  95
HIS A 159
 None
 0.90A 4ma3H-4auiA:
undetectable
4ma3L-4auiA:
undetectable		 4ma3H-4auiA:
21.82
4ma3L-4auiA:
21.19
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.
4QVN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		5 / 12 SER A 110
THR A  32
ALA A  31
GLY A  11
ALA A  35
 None
 1.23A 4qvnV-4auiA:
undetectable
4qvnb-4auiA:
undetectable		 4qvnV-4auiA:
22.19
4qvnb-4auiA:
21.34
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.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		5 / 12 SER A 110
THR A  32
ALA A  31
GLY A  11
ALA A  35
 None
 1.22A 4qvnH-4auiA:
undetectable
4qvnN-4auiA:
undetectable		 4qvnH-4auiA:
22.19
4qvnN-4auiA:
21.34
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.
5IAO_C_URFC301_1
(BIFUNCTIONAL PROTEIN
PYRR)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		3 / 3 ARG A 124
HIS A 125
ARG A  92
 ATP  A 400 ( 3.0A)
None
PO4  A 402 (-4.3A)
 1.09A 5iaoC-4auiA:
undetectable		 5iaoC-4auiA:
22.73
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.
5IAO_F_URFF301_1
(BIFUNCTIONAL PROTEIN
PYRR)		 4aui PORIN (PORB)
(Neisseria
gonorrhoeae) 		3 / 3 ARG A 124
HIS A 125
ARG A  92
 ATP  A 400 ( 3.0A)
None
PO4  A 402 (-4.3A)
 1.05A 5iaoF-4auiA:
undetectable		 5iaoF-4auiA:
22.73