7O1T

Fe(CO)2CNCl species bound [HydE from T. Maritima

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	[FeFe] hydrogenase maturase subunit HydE	polymer	358	41009.4	1	UniProt (Q9X0Z6) Pfam (PF04055)	Thermotoga maritima
2	B (A)	CYSTEINE	non-polymer		121.2	1	Chemie (CYS)
3	C, L (A)	FE (II) ION	non-polymer		55.8	2	Chemie (FE2)
4	D, E, M, N (A)	CARBON MONOXIDE	non-polymer		28.0	4	Chemie (CMO)
5	F, O (A)	CYANIDE ION	non-polymer		26.0	2	Chemie (CYN)
6	G (A)	PYRUVIC ACID	non-polymer		88.1	1	Chemie (PYR)
7	H (A)	S-adenosyl-L-cysteine	non-polymer		370.4	1	Chemie (5X8)
8	I (A)	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE	non-polymer		614.9	1	Chemie (CPS)
9	J (A)	IRON/SULFUR CLUSTER	non-polymer		351.6	1	Chemie (SF4)
10	K (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
11	P (A)	IODIDE ION	non-polymer		126.9	1	Chemie (IOD)
12	Q (A)	water	water		18.0	482	Chemie (HOH)

Sequence modifications

A: 2 - 348 (UniProt: Q9X0Z6)

PDB	External Database	Details
Met -9	-	initiating methionine
Trp -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
Pro -5	-	expression tag
Gln -4	-	expression tag
Phe -3	-	expression tag
Glu -2	-	expression tag
Lys -1	-	expression tag
Ala 0	-	expression tag
Ser 1	-	expression tag
Ser 311	Cys 311	engineered mutation
Ser 319	Cys 319	engineered mutation
Ser 322	Cys 322	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41009.4
Non-Polymers*	Number of molecules	15
	Total formula weight	1984.2
All*	Total formula weight	42993.6

*Water molecules are not included.