4H31

Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus 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	358	39641.9	3	UniProt (Q8DCF5) Pfam (PF02729) Pfam (PF00185)	Vibrio vulnificus	OTCase
2	BA, D, Q (C, A, B)	NORVALINE	non-polymer		117.1	3	Chemie (NVA)
3	DA, E, R (C, A, B)	PHOSPHORIC ACID MONO(FORMAMIDE)ESTER	non-polymer		141.0	3	Chemie (CP)
4	EA, F, Z (C, A, B)	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL	non-polymer		398.5	3	Chemie (PE5)
5	AA, FA, G, GA, H... (B, C, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	18	Chemie (PEG)
6	CA, IA, J, N, T... (C, A, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7	KA, LA, MA (A, B, C)	water	water		18.0	495	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 334 (UniProt: Q8DCF5)

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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	118925.8
Non-Polymers*	Number of molecules	33
	Total formula weight	4092.8
All*	Total formula weight	123018.7

*Water molecules are not included.