6OJD

A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog

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	NocB	polymer	257	27743.9	4	UniProt (Q5J1Q6) Pfam (PF00975) In PDB	Nocardia uniformis subsp. tsuyamanensis
2	A, B, C, D	GLYCEROL	non-polymer		92.1	12	Chemie (GOL)
3	A, B, C, D	(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid	non-polymer		419.4	4	Chemie (MUY)
4	A, B, C	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5		water	water		18.0	390	Chemie (HOH)

Sequence modifications

A, B, C, D: 1690 - 1925 (UniProt: Q5J1Q6)

PDB	External Database	Details
Met 1669	-	initiating methionine
Gly 1670	-	expression tag
Ser 1671	-	expression tag
Ser 1672	-	expression tag
His 1673	-	expression tag
His 1674	-	expression tag
His 1675	-	expression tag
His 1676	-	expression tag
His 1677	-	expression tag
His 1678	-	expression tag
Ser 1679	-	expression tag
Ser 1680	-	expression tag
Gly 1681	-	expression tag
Leu 1682	-	expression tag
Val 1683	-	expression tag
Pro 1684	-	expression tag
Arg 1685	-	expression tag
Gly 1686	-	expression tag
Ser 1687	-	expression tag
His 1688	-	expression tag
Met 1689	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	110975.5
Non-Polymers*	Number of molecules	20
	Total formula weight	2942.9
All*	Total formula weight	113918.4

*Water molecules are not included.