6BUP

Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Cyanuric acid amidohydrolase	polymer	363	38484.7	4	UniProt (Q2RGM7) Pfam (PF09663)	Moorella thermoacetica (strain ATCC 39073 / JCM 9320)	CAH
2	E, M, S, Z (A, B, C, D)	MALONATE ION	non-polymer		102.0	4	Chemie (MLI)
3	AA, F, O, U (D, A, B, C)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	G, H, I, J, L... (A, B, C)	1,3-PROPANDIOL	non-polymer		76.1	11	Chemie (PDO)
5	K (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	N, T, W (B, C)	1,3,5-triazine-2,4,6-triol	non-polymer		129.1	3	Chemie (WDL)
7	BA, CA, DA (D)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
8	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	846	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 367 (UniProt: Q2RGM7)

PDB	External Database	Details
His 0	-	expression tag
Ala 103	Gln 103	engineered mutation
Ala 104	Glu 104	engineered mutation
Ala 107	Lys 107	engineered mutation
Ile 279	Leu 279	engineered mutation
Arg 280	Lys 280	engineered mutation
Ser 281	Phe 281	engineered mutation
-	Cys 283	deletion
-	Cys 284	deletion
-	Pro 285	deletion
-	Pro 286	deletion
-	Ala 287	deletion
Asp 283	Glu 288	engineered mutation
Met 290	Leu 290	engineered mutation
Asp 291	Ala 291	engineered mutation
Arg 292	Lys 292	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	153938.6
Non-Polymers*	Number of molecules	26
	Total formula weight	2005.2
All*	Total formula weight	155943.8

*Water molecules are not included.