3RF7

Crystal structure of an Iron-containing alcohol dehydrogenase (Sden_2133) from Shewanella denitrificans OS-217 at 2.12 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Iron-containing alcohol dehydrogenase	polymer	375	42629.9	1	UniProt (Q12MB1) Pfam (PF00465)	Shewanella denitrificans
2	B (A)	UNKNOWN LIGAND	non-polymer			1	Chemie (UNL)
3	C (A)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	1	Chemie (NAD)
4	D (A)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
5	E (A)	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	F (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
7	G, H, I, J (A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
8	K, L (A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	M, N (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
10	O (A)	water	water		18.0	357	Chemie (HOH)

Sequence modifications

A: 1 - 356 (UniProt: Q12MB1)

PDB	External Database	Details
Mse -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Asp -15	-	expression tag
Lys -14	-	expression tag
Ile -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42629.9
Non-Polymers*	Number of molecules	13
	Total formula weight	1450.5
All*	Total formula weight	44080.4

*Water molecules are not included.