9YUD

Re-Refined Human Phosphodiesterase 3B complexed with GSK4394835A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B	polymer	443	51054.5	2	UniProt (Q13370) Pfam (PF00233)	Homo sapiens (human)	CGIPDE1,CGIP1,Cyclic GMP-inhibited phosphodiesterase B,CGI-PDE B
2	C (A)	[3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron	non-polymer		498.3	1	Chemie (X5W)	Homo sapiens
3	D, E, F, G (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	H, I (A, B)	water	water		18.0	45	Chemie (HOH)

Sequence modifications

A, B: 654 - 1074 (UniProt: Q13370)

PDB	External Database	Details
Met 653	-	initiating methionine
Asp 691	Lys 691	engineered mutation
Asp 783	Arg 783	engineered mutation
Glu 831	Ala 831	engineered mutation
Glu 880	Lys 880	engineered mutation
Asp 981	Ser 981	engineered mutation
Asn 1075	-	expression tag
Leu 1076	-	expression tag
Tyr 1077	-	expression tag
Phe 1078	-	expression tag
Gln 1079	-	expression tag
Gly 1080	-	expression tag
Asp 1081	-	expression tag
Tyr 1082	-	expression tag
Lys 1083	-	expression tag
Asp 1084	-	expression tag
Asp 1085	-	expression tag
Asp 1086	-	expression tag
Asp 1087	-	expression tag
Lys 1088	-	expression tag
Gly 1089	-	expression tag
His 1090	-	expression tag
His 1091	-	expression tag
His 1092	-	expression tag
His 1093	-	expression tag
His 1094	-	expression tag
His 1095	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	102109.1
Non-Polymers*	Number of molecules	5
	Total formula weight	595.5
All*	Total formula weight	102704.6

*Water molecules are not included.