4R3U

Crystal structure of 2-Hydroxyisobutyryl-CoA Mutase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	2-hydroxyisobutyryl-CoA mutase large subunit	polymer	584	66007.8	2	UniProt (I3VE77) Pfam (PF01642)	Aquincola tertiaricarbonis
2	C, D (C, D)	2-hydroxyisobutyryl-CoA mutase small subunit	polymer	158	17052.6	2	UniProt (I3VE74) Pfam (PF02310)	Aquincola tertiaricarbonis
3	E, H (A, B)	3-HYDROXYBUTANOYL-COENZYME A	non-polymer		853.6	2	Chemie (3HC)
4	F, I (A, B)	S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate	non-polymer		853.6	2	Chemie (3KK)
5	G (A)	5'-DEOXYADENOSINE	non-polymer		251.2	1	Chemie (5AD)
6	J, K (C, D)	COBALAMIN	non-polymer		1330.4	2	Chemie (B12)
7	L, M, N, O (A, B, C, D)	water	water		18.0	215	Chemie (HOH)

Sequence modifications

A, B: 1 - 562 (UniProt: I3VE77)

PDB	External Database	Details
Met -10	-	expression tag
Ala -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Gly 563	-	expression tag
Ser 564	-	expression tag
Ala 565	-	expression tag
Trp 566	-	expression tag
Ser 567	-	expression tag
His 568	-	expression tag
Pro 569	-	expression tag
Gln 570	-	expression tag
Phe 571	-	expression tag
Glu 572	-	expression tag
Lys 573	-	expression tag

C, D: 1 - 136 (UniProt: I3VE74)

PDB	External Database	Details
Met -10	-	expression tag
Ala -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Gly 137	-	expression tag
Ser 138	-	expression tag
Ala 139	-	expression tag
Trp 140	-	expression tag
Ser 141	-	expression tag
His 142	-	expression tag
Pro 143	-	expression tag
Gln 144	-	expression tag
Phe 145	-	expression tag
Glu 146	-	expression tag
Lys 147	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	166120.7
Non-Polymers*	Number of molecules	7
	Total formula weight	6326.4
All*	Total formula weight	172447.1

*Water molecules are not included.