7NWY

Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide

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	AAA, BBB	Carbonic anhydrase	polymer	312	35704.9	2	UniProt (A0A3Q0KSG2) Pfam (PF00194) In PDB	Schistosoma mansoni (Blood fluke)
2	AAA, BBB	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	AAA, BBB	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
4	AAA	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	AAA, BBB	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide	non-polymer		309.3	2	Chemie (WWZ)
6		water	water		18.0	302	Chemie (HOH)

Sequence modifications

AAA, BBB: 21 - 298 (UniProt: A0A3Q0KSG2)

PDB	External Database	Details
Asp 12	-	expression tag
Ala 13	-	expression tag
Ala 14	-	expression tag
Gln 15	-	expression tag
Pro 16	-	expression tag
Ala 17	-	expression tag
Arg 18	-	expression tag
Arg 19	-	expression tag
Ala 20	-	expression tag
Arg 299	-	expression tag
Gly 300	-	expression tag
Gly 301	-	expression tag
Pro 302	-	expression tag
Glu 303	-	expression tag
Gln 304	-	expression tag
Lys 305	-	expression tag
Leu 306	-	expression tag
Ile 307	-	expression tag
Ser 308	-	expression tag
Glu 309	-	expression tag
Glu 310	-	expression tag
Asp 311	-	expression tag
Leu 312	-	expression tag
Asn 313	-	expression tag
Ser 314	-	expression tag
Ala 315	-	expression tag
Val 316	-	expression tag
Asp 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71409.8
Non-Polymers*	Number of molecules	10
	Total formula weight	1947.6
All*	Total formula weight	73357.4

*Water molecules are not included.