4YAQ

Crystal structure of a computationally optimized PG9 mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	H, A	PG9_N100FY Fab heavy chain	polymer	248	27242.2	2	UniProt (A0A087X1C7) In PDB	Homo sapiens
2	L, B	PG9_N100FY Light Chain	polymer	216	22823.2	2	UniProt (Q6GMW3) Pfam (PF07686) Pfam (PF07654) In PDB	Homo sapiens
3	C, D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
4	H, L, B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	4	Chemie (MES)
5	H, L	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
6		water	water		18.0	169	Chemie (HOH)

Sequence modifications

H, A: 2 - 110 (PDB: 4YAQ)
H, A: 111 - 232 (UniProt: A0A087X1C7)

PDB	External Database	Details
Gly 233	-	expression tag
Leu 234	-	expression tag
Glu 235	-	expression tag
Val 236	-	expression tag
Leu 237	-	expression tag
Phe 238	-	expression tag
Gln 239	-	expression tag

L, B: 1 - 100 (PDB: 4YAQ)
L, B: 101 - 212 (UniProt: Q6GMW3)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	100130.9
Branched	Number of molecules	2
	Total formula weight	1141.1
Non-Polymers*	Number of molecules	6
	Total formula weight	970.9
All*	Total formula weight	102242.9

*Water molecules are not included.