4NF2

Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis in complex with carbamoyl phosphate and L-norvaline

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 (A, B, C)	Ornithine carbamoyltransferase	polymer	340	38191.4	3	UniProt (Q81M99) Pfam (PF02729) Pfam (PF00185)	Bacillus anthracis (anthrax anthrax bacterium)	OTCase
2	D, J, L (A, B, C)	PHOSPHORIC ACID MONO(FORMAMIDE)ESTER	non-polymer		141.0	3	Chemie (CP)
3	E, I, M (A, B, C)	NORVALINE	non-polymer		117.1	3	Chemie (NVA)
4	F, G, H, K, N (A, B, C)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
5	O, P, Q (A, B, C)	water	water		18.0	846	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 316 (UniProt: Q81M99)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Gln 86	Gly 86	engineered mutation
Arg 191	Lys 191	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	114574.3
Non-Polymers*	Number of molecules	11
	Total formula weight	951.8
All*	Total formula weight	115526.0

*Water molecules are not included.