22RB

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, E, F, J... (B, C)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
3	G (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	H (C)	4-(4-chlorophenyl)-2-[[4-(3,6-dihydro-2~{H}-pyran-4-yl)phenyl]sulfonylamino]benzoic acid	non-polymer		469.9	1	Chemie (A1E4N)
5	I (C)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
6	N, O (B, C)	water	water		18.0	299	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	11
	Total formula weight	1437.4
All*	Total formula weight	61271.6

*Water molecules are not included.