8P3C

Full length structure of BpMIP with bound inhibitor NJS227.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	Peptidyl-prolyl cis-trans isomerase	polymer	126	13622.2	1	UniProt (Q63J95) Pfam (PF00254) In PDB	Burkholderia pseudomallei
2	B	(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide	non-polymer		556.6	1	Chemie (WRX)
3	B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5		water	water		18.0	80	Chemie (HOH)

Sequence modifications

B: 2 - 113 (UniProt: Q63J95)

PDB	External Database	Details
Met -12	-	initiating methionine
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	13622.2
Non-Polymers*	Number of molecules	4
	Total formula weight	846.9
All*	Total formula weight	14469.1

*Water molecules are not included.