1TIQ

Crystal Structure of an Acetyltransferase (PaiA) in complex with CoA and DTT from Bacillus subtilis, Northeast Structural Genomics Target SR64.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Protease synthase and sporulation negative regulatory protein PAI 1	polymer	180	21438.1	2	UniProt (P21340) Pfam (PF13508) In PDB	Bacillus subtilis
2	A, B	COENZYME A	non-polymer		767.5	3	Chemie (COA)
3	A	2,3-DIHYDROXY-1,4-DITHIOBUTANE	non-polymer		154.3	2	Chemie (DTT)
4	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5		water	water		18.0	272	Chemie (HOH)

Sequence modifications

A, B: 2 - 172 (UniProt: P21340)

PDB	External Database	Details
Met 1	-	INITIATING METHIONINE
Mse 5	Met 4	MODIFIED RESIDUE
Mse 37	Met 36	MODIFIED RESIDUE
Mse 57	Met 56	MODIFIED RESIDUE
Mse 86	Met 85	MODIFIED RESIDUE
Mse 145	Met 144	MODIFIED RESIDUE
Mse 157	Met 156	MODIFIED RESIDUE
Mse 167	Met 166	MODIFIED RESIDUE
Leu 173	-	CLONING ARTIFACT
Glu 174	-	CLONING ARTIFACT
His 175	-	CLONING ARTIFACT
His 176	-	CLONING ARTIFACT
His 177	-	CLONING ARTIFACT
His 178	-	CLONING ARTIFACT
His 179	-	CLONING ARTIFACT
His 180	-	CLONING ARTIFACT

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42876.2
Non-Polymers*	Number of molecules	6
	Total formula weight	2707.2
All*	Total formula weight	45583.4

*Water molecules are not included.