22TN

Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor

This is a non-PDB format compatible entry.

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, C)	Phosphoglycerate mutase 1	polymer	262	29917.1	2	UniProt (P18669) Pfam (PF00300)	Homo sapiens (human)	BPG-dependent PGAM 1,Phosphoglycerate mutase isozyme B,PGAM-B
2	C, D, H, I, J... (B, C)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
3	E (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F (C)	~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide	non-polymer		488.0	1	Chemie (A1E4Q)
5	G (C)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
6	L, M (B, C)	water	water		18.0	202	Chemie (HOH)

Sequence modifications

B, C: 1 - 254 (UniProt: P18669)

PDB	External Database	Details
Leu 255	-	expression tag
Glu 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag
His 259	-	expression tag
His 260	-	expression tag
His 261	-	expression tag
His 262	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59834.2
Non-Polymers*	Number of molecules	9
	Total formula weight	1271.2
All*	Total formula weight	61105.4

*Water molecules are not included.