3HRD

Crystal structure of nicotinate dehydrogenase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E	Nicotinate dehydrogenase large molybdopterin subunit	polymer	425	46549.1	2	UniProt (Q0QLF2) Pfam (PF01315) Pfam (PF02738) In PDB	Eubacterium barkeri (Clostridium barkeri)
2	B, F	Nicotinate dehydrogenase medium molybdopterin subunit	polymer	330	34506.1	2	UniProt (Q0QLF1) Pfam (PF20256) In PDB	Eubacterium barkeri (Clostridium barkeri)
3	C, G	Nicotinate dehydrogenase FAD-subunit	polymer	296	32663.5	2	UniProt (Q0QLF4) Pfam (PF00941) Pfam (PF03450) In PDB	Eubacterium barkeri (Clostridium barkeri)
4	D, H	Nicotinate dehydrogenase small FeS subunit	polymer	160	16993.4	2	UniProt (Q0QLF3) Pfam (PF00111) Pfam (PF01799) In PDB	Eubacterium barkeri (Clostridium barkeri)
5	A, E	SELENIUM ATOM	non-polymer		79.0	2	Chemie (SE)
6	A, C, E	NITRATE ION	non-polymer		62.0	3	Chemie (NO3)
7	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
8	B, F	DIOXOTHIOMOLYBDENUM(VI) ION	non-polymer		161.0	2	Chemie (MOS)
9	B, F	PTERIN CYTOSINE DINUCLEOTIDE	non-polymer		696.5	2	Chemie (MCN)
10	B, E	NICOTINIC ACID	non-polymer		123.1	2	Chemie (NIO)
11	C, G	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
12	H, D	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	4	Chemie (FES)
13	E	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
14		water	water		18.0	954	Chemie (HOH)

Sequence modifications

D, H: 1 - 157 (UniProt: Q0QLF3)

PDB	External Database	Details
Ala 158	-	expression tag
Ala 159	-	expression tag
Ala 160	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	261424.1
Non-Polymers*	Number of molecules	20
	Total formula weight	4668.2
All*	Total formula weight	266092.4

*Water molecules are not included.