9EGC

AclA from Tenacibaculum discolor in complex with the C8-N-acyl cyclolysine reaction product (C8-ACL)

This is a non-PDB format compatible entry.

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, D, E... (A, B, C, D, E...)	THIF-type NAD/FAD binding fold domain-containing protein	polymer	264	30056.3	7	UniProt (A0A2G1BYE5) Pfam (PF00899)	Tenacibaculum discolor
2	H, M, P, R, T... (A, B, C, D, E...)	N-[(3R)-2-oxoazepan-3-yl]octanamide	non-polymer		254.4	7	Chemie (A1CA3)
3	I, N, Q, S, U... (A, B, C, D, E...)	MALEIC ACID	non-polymer		116.1	7	Chemie (MAE)
4	J, K, L, O, V (A, B, E)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
5	AA, BA, CA, DA, EA... (A, B, C, D, E...)	water	water		18.0	113	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G: 1 - 250 (UniProt: A0A2G1BYE5)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Asn 58	Asp 58	conflict
Ala 165	Ser 165	conflict
Lys 166	Arg 166	conflict

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	210394.0
Non-Polymers*	Number of molecules	19
	Total formula weight	3123.7
All*	Total formula weight	213517.7

*Water molecules are not included.