5JRD

E. coli Hydrogenase-1 variant P508A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (S, T)	Hydrogenase-1 small chain	polymer	335	36814.7	2	UniProt (P69740) Pfam (PF01058) Pfam (PF14720)	Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC)	HYD1,Membrane-bound hydrogenase 1 small subunit,NiFe hydrogenase
2	B, D (L, M)	Hydrogenase-1 large chain	polymer	582	64741.3	2	UniProt (P0ACD8) Pfam (PF00374)	Escherichia coli (strain K12)	HYD1,Membrane-bound hydrogenase 1 large subunit,NiFe hydrogenase
3	E, O (S, T)	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)	Escherichia coli
4	F, P (S, T)	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)	Escherichia coli
5	G, Q (S, T)	FE4-S3 CLUSTER	non-polymer		319.6	2	Chemie (SF3)	Escherichia coli
6	H, I, R, S (S, T)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)	Escherichia coli
7	J, T (L, M)	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)	Escherichia coli
8	K, U (L, M)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)	Escherichia coli
9	L, V (L, M)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)	Escherichia coli
10	M, N, W (L, M)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)	Escherichia coli
11	AA, X, Y, Z (M, S, L, T)	water	water		18.0	1371	Chemie (HOH)

Sequence modifications

S, T: 1 - 327 (UniProt: P69740)

PDB	External Database	Details
Arg 328	-	expression tag
Ser 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
His 335	-	expression tag

L, M: 1 - 582 (UniProt: P0ACD8)

PDB	External Database	Details
Ala 508	Pro 508	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	203112.0
Non-Polymers*	Number of molecules	19
	Total formula weight	2801.8
All*	Total formula weight	205913.8

*Water molecules are not included.