5A56

The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE	polymer	1117	125657.9	1	UniProt (Q2MGH6) Pfam (PF18080) Pfam (PF12905) Pfam (PF17451) Pfam (PF21466) Pfam (PF17974) In PDB	STREPTOCOCCUS PNEUMONIAE
2	B	beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside	branched		397.4	1	In PDB GlyTouCan (G70497XY)
3	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	A	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
5	A	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
6	A	1,2-ETHANEDIOL	non-polymer		62.1	31	Chemie (EDO)
7		water	water		18.0	1536	Chemie (HOH)

Sequence modifications

A: 317 - 1426 (UniProt: Q2MGH6)

PDB	External Database	Details
Met 316	-	expression tag
Thr 1426	-	expression tag
His 1427	-	expression tag
His 1428	-	expression tag
His 1429	-	expression tag
His 1430	-	expression tag
His 1431	-	expression tag
His 1432	-	expression tag
Ser 460	Asn 461	conflict
Arg 1164	Asp 1165	conflict
Asp 1201	Gln 1202	conflict
His 1263	Asn 1264	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	125657.9
Branched	Number of molecules	1
	Total formula weight	397.4
Non-Polymers*	Number of molecules	37
	Total formula weight	2483.5
All*	Total formula weight	128538.8

*Water molecules are not included.