4R0Q

Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Peptidoglycan glycosyltransferase	polymer	482	50648.8	2	UniProt (C8W8H7) Pfam (PF21922) Pfam (PF00905)	Atopobium parvulum DSM 20469
2	C, F (A, B)	CEPHALOTHIN GROUP	non-polymer		398.5	2	Chemie (CEP)
3	D, G (A, B)	THIOCYANATE ION	non-polymer		58.1	2	Chemie (SCN)
4	E, H (A, B)	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	2	Chemie (B3P)
5	I, J (A, B)	water	water		18.0	355	Chemie (HOH)

Sequence modifications

A, B: 505 - 954 (UniProt: C8W8H7)

PDB	External Database	Details
Mse 473	-	expression tag
His 474	-	expression tag
His 475	-	expression tag
His 476	-	expression tag
His 477	-	expression tag
His 478	-	expression tag
His 479	-	expression tag
Ser 480	-	expression tag
Ser 481	-	expression tag
Gly 482	-	expression tag
Val 483	-	expression tag
Asp 484	-	expression tag
Leu 485	-	expression tag
Trp 486	-	expression tag
Ser 487	-	expression tag
His 488	-	expression tag
Pro 489	-	expression tag
Gln 490	-	expression tag
Phe 491	-	expression tag
Glu 492	-	expression tag
Lys 493	-	expression tag
Gly 494	-	expression tag
Thr 495	-	expression tag
Glu 496	-	expression tag
Asn 497	-	expression tag
Leu 498	-	expression tag
Tyr 499	-	expression tag
Phe 500	-	expression tag
Gln 501	-	expression tag
Ser 502	-	expression tag
Asn 503	-	expression tag
Ala 504	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	101297.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1477.7
All*	Total formula weight	102775.3

*Water molecules are not included.