5QQU

PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	5-aminolevulinate synthase, erythroid-specific, mitochondrial	polymer	469	52250.6	2	UniProt (P22557) Pfam (PF00155)	Homo sapiens (Human)	ALAS-E,5-aminolevulinic acid synthase 2,Delta-ALA synthase 2,Delta-aminolevulinate synthase 2
2	C, E (B, A)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	2	Chemie (PLP)
3	D, F, G (B, A)	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile	non-polymer		203.2	3	Chemie (NTG)
4	H, I (B, A)	water	water		18.0	248	Chemie (HOH)

Sequence modifications

B, A: 143 - 578 (UniProt: P22557)

PDB	External Database	Details
Met 119	-	initiating methionine
Gly 120	-	expression tag
His 121	-	expression tag
His 122	-	expression tag
His 123	-	expression tag
His 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag
Ser 127	-	expression tag
Ser 128	-	expression tag
Gly 129	-	expression tag
Val 130	-	expression tag
Asp 131	-	expression tag
Leu 132	-	expression tag
Gly 133	-	expression tag
Thr 134	-	expression tag
Glu 135	-	expression tag
Asn 136	-	expression tag
Leu 137	-	expression tag
Tyr 138	-	expression tag
Phe 139	-	expression tag
Gln 140	-	expression tag
Ser 141	-	expression tag
Met 142	-	expression tag
Val 221	Ala 223	conflict
Gly 579	-	expression tag
Pro 580	-	expression tag
Gln 581	-	expression tag
Tyr 582	-	expression tag
Val 583	-	expression tag
Thr 584	-	expression tag
Thr 585	-	expression tag
Tyr 586	-	expression tag
Ala 587	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104501.1
Non-Polymers*	Number of molecules	5
	Total formula weight	1104.0
All*	Total formula weight	105605.1

*Water molecules are not included.