5A6B

GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with PUGNAc

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	N-ACETYL-BETA-D-GLUCOSAMINIDASE	polymer	649	74130.5	3	UniProt (C1CH75) Pfam (PF18229) Pfam (PF00728) Pfam (PF18088) UniProt (by SIFTS) (A0A0H2US73) In PDB	STREPTOCOCCUS PNEUMONIAE	GH20C
2	D	N-ACETYL-BETA-D-GLUCOSAMINIDASE	polymer	648	74017.3	1	UniProt (C1CH75) Pfam (PF18229) Pfam (PF00728) Pfam (PF18088) UniProt (by SIFTS) (A0A0H2US73) In PDB	STREPTOCOCCUS PNEUMONIAE	GH20C
3	A, B, C, D	O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE	non-polymer		353.3	4	Chemie (OAN)
4	A, B, C	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5		water	water		18.0	1958	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 626 (UniProt: C1CH75)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
Ser -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Leu 9	Pro 9	conflict
Val 158	Met 158	conflict

D: 1 - 626 (UniProt: C1CH75)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
Ser -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Leu 9	Pro 9	conflict
Val 158	Met 158	conflict
-	Leu 272	deletion

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	296408.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1486.2
All*	Total formula weight	297894.9

*Water molecules are not included.