8Q3U

Crystal structure of a fentanyl derivative in complex with human CA VII

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carbonic anhydrase 7	polymer	274	30925.7	1	UniProt (P43166) Pfam (PF00194) In PDB	Homo sapiens (human)	Carbonate dehydratase VII,Carbonic anhydrase VII,CA-VII
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide	non-polymer		415.5	1	Chemie (J8I)
4	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5		water	water		18.0	171	Chemie (HOH)

Sequence modifications

A: -1 - 262 (UniProt: P43166)

PDB	External Database	Details
Met -3	-	initiating methionine
Gly -2	-	expression tag
Ser 183	Cys 185	engineered mutation
Ser 217	Cys 219	engineered mutation
Leu 263	-	expression tag
Glu 264	-	expression tag
His 265	-	expression tag
His 266	-	expression tag
His 267	-	expression tag
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30925.7
Non-Polymers*	Number of molecules	4
	Total formula weight	665.1
All*	Total formula weight	31590.8

*Water molecules are not included.