3EHB

A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cytochrome c oxidase subunit 1-beta	polymer	558	62487.6	1	UniProt (P98002) Pfam (PF00115)	Paracoccus denitrificans	Cytochrome c oxidase polypeptide I-beta, Cytochrome aa3 subunit 1-beta
2	B (B)	Cytochrome c oxidase subunit 2	polymer	298	32563.6	1	UniProt (P08306) Pfam (PF02790) Pfam (PF00116)	Paracoccus denitrificans	Cytochrome c oxidase polypeptide II, Cytochrome aa3 subunit 2, Oxidase aa(3) subunit 2
3	C (C)	FV fragment Chain H	polymer	127	14324.9	1	Pfam (PF07686) UniProt (by SIFTS) (P18525)	Mus musculus (mouse)
4	D (D)	FV fragment Chain L	polymer	120	13260.8	1	Pfam (PF07686) UniProt (by SIFTS) (P01636)	Mus musculus (mouse)
5	E, F (A)	HEME-A	non-polymer		852.8	2	Chemie (HEA)
6	G, W, X (A, B)	COPPER (II) ION	non-polymer		63.5	3	Chemie (CU)
7	H (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
8	I (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
9	AA, BA, CA, J, K... (B, A)	LAURYL DIMETHYLAMINE-N-OXIDE	non-polymer		229.4	9	Chemie (LDA)
10	DA, EA, FA, GA, N... (B, D, A)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	12	Chemie (LMT)
11	V (A)	PEROXIDE ION	non-polymer		32.0	1	Chemie (PER)
12	HA, IA, JA, KA (A, B, C, D)	water	water		18.0	379	Chemie (HOH)

Sequence modifications

A: 1 - 558 (UniProt: P98002)

PDB	External Database	Details
Asp 131	Asn 131	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	122637.0
Non-Polymers*	Number of molecules	29
	Total formula weight	10184.7
All*	Total formula weight	132821.7

*Water molecules are not included.