4ODP

Structure of SlyD delta-IF from Thermus thermophilus in complex with S2-W23A peptide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Peptidyl-prolyl cis-trans isomerase SlyD, Peptidyl-prolyl cis-trans isomerase FKBP1A chimera	polymer	110	12179.5	1	UniProt (Q5SLE7) UniProt (P62942) Pfam (PF00254)	Thermus thermophilus (bacteria human)	TtSlyD, PPIase FKBP1A, 12 kDa FK506-binding protein, 12 kDa FKBP, FKBP-12, Calstabin-1, FK506-binding protein 1A, FKBP-1A, Immunophilin FKBP12, Rotamase
2	B (B)	30S ribosomal protein S2	polymer	16	1742.1	1	UniProt (P0A7V0)	Escherichia coli
3	C (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	D, E, F, G (A)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	H (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
6	I (A)	water	water		18.0	101	Chemie (HOH)

Sequence modifications

A: 1 - 64 (UniProt: Q5SLE7)
A: 65 - 77 (UniProt: P62942)
A: 78 - 101 (UniProt: Q5SLE7)

PDB	External Database	Details
Pro 102	-	expression tag
Ser 103	-	expression tag
Gly 104	-	expression tag
His 105	-	expression tag
His 106	-	expression tag
His 107	-	expression tag
His 108	-	expression tag
His 109	-	expression tag
His 110	-	expression tag

B: 20 - 34 (UniProt: P0A7V0)

PDB	External Database	Details
Ala 23	Trp 23	engineered mutation
Nh2 35	-	amidation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	13921.6
Non-Polymers*	Number of molecules	6
	Total formula weight	254.5
All*	Total formula weight	14176.1

*Water molecules are not included.