9P0R

Structure of PYCR1 complexed with the allosteric inhibitor 2-[(2,6-dichlorophenyl)amino]pyridine-3-sulfonic acid

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, C, D, E (A, B, C, D, E)	Pyrroline-5-carboxylate reductase 1, mitochondrial	polymer	316	33532.6	5	UniProt (P32322)	Homo sapiens (human)	P5C reductase 1,P5CR 1
2	F, H, K, M, P (A, B, C, D, E)	2-(2,6-dichloroanilino)pyridine-3-sulfonic acid	non-polymer		319.2	5	Chemie (A1CFJ)
3	G, I, L, O, S (A, B, C, D, E)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4	J, N, R (C, D, E)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
5	Q (E)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
6	T, U, V, W, X (A, B, C, D, E)	water	water		18.0	961	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 294 (UniProt: P32322)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	167662.9
Non-Polymers*	Number of molecules	14
	Total formula weight	2544.7
All*	Total formula weight	170207.5

*Water molecules are not included.