12XK

Candida albicans Chitin synthase 1 (CaChs1) bound to UDP-GlcNAc and diynyl arylamine (DA, aka RO-09-3143)

This is a non-PDB format compatible entry.

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)	Chitin synthase	polymer	1058	120059.9	2	UniProt (G1UA94)	Candida albicans	CaChs1
2	C, F, H, I, L (A, B)	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine	non-polymer		744.0	5	Chemie (PEE)
3	D, J (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
4	E, K (A, B)	8-[(6,6-dimethylhepta-2,4-diyn-1-yl)(methyl)amino]-2H-1,4-benzoxazin-3(4H)-one	non-polymer		296.4	2	Chemie (A1DEH)
5	G, M (A, B)	URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE	non-polymer		607.4	2	Chemie (UD1)

Sequence modifications

A, B: 1 - 1026 (UniProt: G1UA94)

PDB	External Database	Details
Ser 1027	-	expression tag
Asn 1028	-	expression tag
Ser 1029	-	expression tag
Leu 1030	-	expression tag
Glu 1031	-	expression tag
Val 1032	-	expression tag
Leu 1033	-	expression tag
Phe 1034	-	expression tag
Gln 1035	-	expression tag
Gly 1036	-	expression tag
Pro 1037	-	expression tag
Ala 1038	-	expression tag
Ala 1039	-	expression tag
Asp 1040	-	expression tag
Tyr 1041	-	expression tag
Lys 1042	-	expression tag
Asp 1043	-	expression tag
Asp 1044	-	expression tag
Asp 1045	-	expression tag
Asp 1046	-	expression tag
Lys 1047	-	expression tag
Ala 1048	-	expression tag
His 1049	-	expression tag
His 1050	-	expression tag
His 1051	-	expression tag
His 1052	-	expression tag
His 1053	-	expression tag
His 1054	-	expression tag
His 1055	-	expression tag
His 1056	-	expression tag
His 1057	-	expression tag
His 1058	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	240119.8
Non-Polymers*	Number of molecules	11
	Total formula weight	5576.2
All*	Total formula weight	245696.0

*Water molecules are not included.