Merge pull request #137 from pszgaspar/master

FIX: minor annotation fixes
protwis · Sep 19, 2023 · b7580df · b7580df
2 parents 28d936b + 6a66c93
commit b7580df
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Showing 5 changed files with 9 additions and 5 deletions.
diff --git a/g_protein_data/g_protein_chimeras.fasta b/g_protein_data/g_protein_chimeras.fasta
@@ -1,5 +1,7 @@
 >gnaq_human
 MTLESIMACCLSEEAKEARRINDEIERQLRRDKRDARRELKLLLLGTGESGKSTFIKQMRIIHGSGYSDEDKRGFTKLVYQNIFTAMQAMIRAMDTLKIPYKYEHNKAHAQLVREVDVEKVSAFENPYVDAIKSLWNDPGIQECYDRRREYQLSDSTKYYLNDLDRVADPAYLPTQQDVLRVRVPTTGIIEYPFDLQSVIFRMVDVGGQRSERRKWIHCFENVTSIMFLVALSEYDQVLVESDNENRMEESKALFRTIITYPWFQNSSVILFLNKKDLLEEKIMYSHLVDYFPEYDGPQRDAQAAREFILKMFVDLNPDSDKIIYSHFTCATDTENIRFVFAAVKDTILQLNLKEYNLV
+>gnaq_human|8E9W
+MGSTVSAEDKAAAERSKMIDKNLREDGEKARRTLRLLLLGADNSGKSTIVKQMRILHGGSGGSGGTSGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVDSSDYNRLQEALNDFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEPGEDPRVTRAKYFIRKEFVDISTASGDGRHICYPHFTCAVDTENARRIFNDCKDIILQMNLREYNLV
 >gnaq_human|7DFL
 CTLSAEDKAAVERSKMIDRNLREDGEKARRELKLLLLGTGESGKSTFIKQMRIIHGTGIIEYPFDLQSVIFRMVDVGGQRSERRKWIHCFENVTSIMFLVALSEYDQVDNENRMEESKALFRTIITYPWFQNSSVILFLNKKDLLEEKIMYSHLVDYFPEYDGPQRDAQAAREFILKMFVDLNPDSDKILYSHFTCATDTENIRFVFAAVKDTILQLNLKEYNLV
 >gnaq_human|7F8W

diff --git a/g_protein_data/g_protein_chimeras_gapped.fasta b/g_protein_data/g_protein_chimeras_gapped.fasta
@@ -1,5 +1,7 @@
 >gnaq_human
 MTLESIMACCLSEEAKEARRINDEIERQLRRDKRDARRELKLLLLGTGESGKSTFIKQMRIIHGSGYSDEDKRGFTKLVYQNIFTAMQAMIRAMDTLKIPYKYEHNKAHAQLVREVDVEKVSAFENPYVDAIKSLWNDPGIQECYDRRREYQLSDSTKYYLNDLDRVADPAYLPTQQDVLRVRVPTTGIIEYPFDLQSVIFRMVDVGGQRSERRKWIHCFENVTSIMFLVALSEYDQVLVESDNENRMEESKALFRTIITYPWFQNSSVILFLNKKDLLEEKIMY--SHLVDYFPEYDGPQR------------DAQAAREFILKMFVDL---NPDSDKIIYSHFTCATDTENIRFVFAAVKDTILQLNLKEYNLV
+>gnaq_human|8E9W
+------MGSTVSAEDKAAAERSKMIDKNLREDGEKARRTLRLLLLGADNSGKSTIVKQMRI------------------------------------------------------------------------------------------------------------------LHGGSGGSGGTSGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVDSSDYN----------RLQEALNDFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEPGEDPRVTRAKYFIRKEFVDISTASGDGRHICYPHFTCAVDTENARRIFNDCKDIILQMNLREYNLV
 >gnaq_human|7DFL
 --------CTLSAEDKAAVERSKMIDRNLREDGEKARRELKLLLLGTGESGKSTFIKQMRIIHG--------------------------------------------------------------------------------------------------------------------------TGIIEYPFDLQSVIFRMVDVGGQRSERRKWIHCFENVTSIMFLVALSEYDQV----DNENRMEESKALFRTIITYPWFQNSSVILFLNKKDLLEEKIMY--SHLVDYFPEYDGPQR------------DAQAAREFILKMFVDL---NPDSDKILYSHFTCATDTENIRFVFAAVKDTILQLNLKEYNLV
 >gnaq_human|7F8W

diff --git a/structure_data/annotation/GPCRdb_structure_info.xlsx b/structure_data/annotation/GPCRdb_structure_info.xlsx
diff --git a/structure_data/annotation/g_proteins.csv b/structure_data/annotation/g_proteins.csv
@@ -24,7 +24,7 @@ PDB	Alpha_UniProt	Alpha_ChainID	Beta_UniProt	Beta_ChainID	Gamma_UniProt	Gamma_Ch
 6WZG	gnas2_human	A	gbb1_human	B	gbg2_human	G	
 6M1H	gnas2_human	F	gbb1_human	E	gbg2_human	D	
 6M1I	gnas2_human	F	gbb1_human	E	gbg2_human	D	
-6ORV	gnas2_human	A	gbb1_human	B	gbg2_human	G	
+6ORV	gnas2_human	A	gbb1_human	B	gbg2_human	C	
 7BZ2	gnas2_human	A	gbb1_bovin	B	gbg2_bovin	G	
 7BW0	gnas2_human	A	gbb1_rat	B	gbg2_bovin	G	
 7C2E	gnas2_human	A	gbb1_human	B	gbg2_human	G	
@@ -130,8 +130,8 @@ PDB	Alpha_UniProt	Alpha_ChainID	Beta_UniProt	Beta_ChainID	Gamma_UniProt	Gamma_Ch
 7DB6	gnai1_human	A	gbb1_rat	B	gbg2_bovin	C	
 7EW1	gnai1_human	D	gbb1_human	B	gbg2_human	C	
 7EW2	gnai1_human	A	gbb1_human	B	gbg2_human	C	
-7EW3	gnai1_human	A	gbb1_human	B	gbg2_human	G	
-7EW4	gnai1_human	A	gbb1_human	B	gbg2_human	G	
+7EW3	gnai1_human	A	gbb1_human	B	gbg2_human	C	
+7EW4	gnai1_human	A	gbb1_human	B	gbg2_human	C	
 7NA7	gnai1_human	A	gbb1_human	B	gbg2_human	G	
 7NA8	gnai1_human	A	gbb1_human	B	gbg2_human	G	
 6D9H	gnai2_human	A	gbb1_human	B	gbg2_human	G	

diff --git a/structure_data/annotation/ligands.csv b/structure_data/annotation/ligands.csv
@@ -110,7 +110,7 @@ PDB	ChainID	Name	PubChemID	Role	Title	Type	Date	In structure
 4PXZ		6AD	121990.0	Agonist	2-MeSADP	Small molecule	2014-04-30	
 4PY0		6AT	5310983.0	Agonist (partial)	5310983	Small molecule	2014-04-30	
 4OO9		2U8	9926832.0	NAM	Mavoglurant	Small molecule	2014-07-02	
-4PHU		2YB	24857286.0	Agonist	Fasiglifam	Small molecule	2014-07-16	
+4PHU		2YB	24857286.0	Allosteric agonist	Fasiglifam	Small molecule	2014-07-16	
 4QIM		A8T	24905375.0	Antagonist	AntaXV	Small molecule	2014-07-23	
 4QIN		SG8	44195701.0	Agonist	SAG1.5	Small molecule	2014-07-23	
 4QKX		35V	76210628.0	Agonist	Q27453560	Small molecule	2014-07-23	
@@ -201,7 +201,7 @@ PDB	ChainID	Name	PubChemID	Role	Title	Type	Date	In structure
 5XF1		97V	23549991.0	NAM	NNC0640	Small molecule	2017-05-24	
 5JTB		ZMA	176407.0	Antagonist	ZM241385	Small molecule	2017-05-31	
 5VBL	A	pep	gtoplig:9587	Agonist	AMG3054	Peptide	2017-05-31	
-5TZR		MK6	73051869.0	Agonist	MK-8666	Small molecule	2017-06-07	
+5TZR		MK6	73051869.0	Allosteric agonist	MK-8666	Small molecule	2017-06-07	
 5TZY		MK6	73051869.0	Agonist	MK-8666	Small molecule	2017-06-07	
 5TZY		7OS	127053597.0	PAM	(2S,3R)-3-Cyclopropyl-3-[(2R)-2-[1-[(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid	Small molecule	2017-06-07	
 5NX2	B	pep	None	Agonist	Truncated protein agonist	Peptide	2017-06-14