5JAU

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA₂) Discovered Through X-Ray Fragment Screening

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Platelet-activating factor acetylhydrolase	polymer	388	44203.1	1	UniProt (Q13093) Pfam (PF03403) In PDB	Homo sapiens (Human)	PAF acetylhydrolase,1-alkyl-2-acetylglycerophosphocholine esterase,2-acetyl-1-alkylglycerophosphocholine esterase,Group-VIIA phospholipase A2,gVIIA-PLA2,LDL-associated phospholipase A2,LDL-PLA(2),PAF 2-acylhydrolase
2	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	A	(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol	non-polymer		410.5	1	Chemie (6HU)
5		water	water		18.0	542	Chemie (HOH)

Sequence modifications

A: 46 - 428 (UniProt: Q13093)

PDB	External Database	Details
His 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44203.1
Non-Polymers*	Number of molecules	4
	Total formula weight	559.5
All*	Total formula weight	44762.7

*Water molecules are not included.