5LMM

Structure of E coli Hydrogenase Hyd-1 mutant E28Q

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	S, T	Hydrogenase-1 small chain	polymer	335	36814.7	2	UniProt (P69740) Pfam (PF01058) Pfam (PF14720) UniProt (by SIFTS) (P69739) In PDB	Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC)	HYD1,Membrane-bound hydrogenase 1 small subunit,NiFe hydrogenase
2	L, M	Hydrogenase-1 large chain	polymer	582	64766.4	2	UniProt (P0ACD8) Pfam (PF00374) In PDB	Escherichia coli (strain K12)	HYD1,Membrane-bound hydrogenase 1 large subunit,NiFe hydrogenase
3	S, T	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
4	S, T	FE3-S4 CLUSTER	non-polymer		295.8	2	Chemie (F3S)
5	S, T	FE4-S3 CLUSTER	non-polymer		319.6	2	Chemie (SF3)
6	S, T	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	2	Chemie (LMT)
7	S, T	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
8	S, L, T, M	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
9	L, M	CARBONMONOXIDE-(DICYANO) IRON	non-polymer		135.9	2	Chemie (FCO)
10	L, M	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
11	L, M	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
12	M, L	LITHIUM ION	non-polymer		6.9	2	Chemie (LI)
13	M	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
14		water	water		18.0	1426	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
Gln 28	Glu 28	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	203162.2
Non-Polymers*	Number of molecules	24
	Total formula weight	4019.7
All*	Total formula weight	207181.8

*Water molecules are not included.