5V12

Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	E, G, F, H, D...	Hercynylcysteine sulfoxide lyase	polymer	501	56426.3	7	UniProt (A7UX13) Pfam (PF00266) In PDB	Neurospora crassa OR74A	Ergothioneine biosynthesis protein 2,PLP-binding cysteine desulfurase,PLP-dependent C-S lyase
2	C	Hercynylcysteine sulfoxide lyase	polymer	501	56513.3	1	UniProt (A7UX13) Pfam (PF00266) In PDB	Neurospora crassa OR74A	Ergothioneine biosynthesis protein 2,PLP-binding cysteine desulfurase,PLP-dependent C-S lyase
3	E, G, F, H, C...	FORMIC ACID	non-polymer		46.0	8	Chemie (FMT)
4	F, A	(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium	non-polymer		246.3	2	Chemie (8QJ)
5		water	water		18.0	412	Chemie (HOH)

Sequence modifications

E, G, F, H, D, A, B: 2 - 473 (UniProt: A7UX13)

PDB	External Database	Details
Met -6	-	initiating methionine
Gly -5	-	expression tag
Asp -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Glu 0	-	expression tag
Phe 1	-	expression tag
Phe 134	Tyr 134	conflict
Leu 474	-	expression tag
Glu 475	-	expression tag
Val 476	-	expression tag
Asp 477	-	expression tag
Leu 478	-	expression tag
Gln 479	-	expression tag
Gly 480	-	expression tag
Asp 481	-	expression tag
His 482	-	expression tag
Gly 483	-	expression tag
Leu 484	-	expression tag
Ser 485	-	expression tag
Ala 486	-	expression tag
Trp 487	-	expression tag
Ser 488	-	expression tag
His 489	-	expression tag
Pro 490	-	expression tag
Gln 491	-	expression tag
Phe 492	-	expression tag
Glu 493	-	expression tag
Lys 494	-	expression tag

C: 2 - 473 (UniProt: A7UX13)

PDB	External Database	Details
Met -6	-	initiating methionine
Gly -5	-	expression tag
Asp -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Glu 0	-	expression tag
Phe 1	-	expression tag
Phe 134	Tyr 134	conflict
Leu 474	-	expression tag
Glu 475	-	expression tag
Val 476	-	expression tag
Asp 477	-	expression tag
Leu 478	-	expression tag
Gln 479	-	expression tag
Gly 480	-	expression tag
Asp 481	-	expression tag
His 482	-	expression tag
Gly 483	-	expression tag
Leu 484	-	expression tag
Ser 485	-	expression tag
Ala 486	-	expression tag
Trp 487	-	expression tag
Ser 488	-	expression tag
His 489	-	expression tag
Pro 490	-	expression tag
Gln 491	-	expression tag
Phe 492	-	expression tag
Glu 493	-	expression tag
Lys 494	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	451497.2
Non-Polymers*	Number of molecules	10
	Total formula weight	860.8
All*	Total formula weight	452358.0

*Water molecules are not included.