SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3whs'

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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		 3whs GAMMA-GLUTAMYLTRANSP
EPTIDASE SMALL CHAIN
(Bacillus
subtilis) 		4 / 7 SER B 520
SER B 522
SER B 523
ASN B 519
 None
 1.07A 2cmlA-3whsB:
undetectable		 2cmlA-3whsB:
20.32
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		 3whs GAMMA-GLUTAMYLTRANSP
EPTIDASE SMALL CHAIN
(Bacillus
subtilis) 		4 / 8 SER B 520
SER B 522
SER B 523
ASN B 519
 None
 0.97A 2cmlB-3whsB:
undetectable		 2cmlB-3whsB:
20.32
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.
2CML_C_ZMRC3478_1
(NEURAMINIDASE)		 3whs GAMMA-GLUTAMYLTRANSP
EPTIDASE SMALL CHAIN
(Bacillus
subtilis) 		4 / 8 SER B 520
SER B 522
SER B 523
ASN B 519
 None
 1.05A 2cmlC-3whsB:
undetectable		 2cmlC-3whsB:
20.32
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		 3whs GAMMA-GLUTAMYLTRANSP
EPTIDASE SMALL CHAIN
(Bacillus
subtilis) 		4 / 8 SER B 520
SER B 522
SER B 523
ASN B 519
 None
 1.09A 2cmlD-3whsB:
undetectable		 2cmlD-3whsB:
20.32
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.
2J9C_A_ACTA1121_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 3whs GAMMA-GLUTAMYLTRANSP
EPTIDASE SMALL CHAIN
(Bacillus
subtilis) 		4 / 5 VAL B 481
SER B 559
VAL B 478
SER B 557
 None
 0.99A 2j9cA-3whsB:
undetectable
2j9cB-3whsB:
undetectable
2j9cC-3whsB:
undetectable		 2j9cA-3whsB:
20.42
2j9cB-3whsB:
20.42
2j9cC-3whsB:
20.42
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 3whs GAMMA-GLUTAMYLTRANSP
EPTIDASE SMALL CHAIN
(Bacillus
subtilis) 		4 / 5 GLY B 485
PRO B 468
THR B 403
THR B 488
 AVN  B 600 (-4.5A)
None
AVN  B 600 (-1.9A)
None
 1.26A 5h5fA-3whsB:
undetectable		 5h5fA-3whsB:
20.58