9BT3

Crystal structure of Chorismate Mutase from Mycobacterium tuberculosis in complex with the cyclic peptide inhibitor L2.1 (triclinic form)

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...)	Secreted chorismate mutase	polymer	205	22973.4	8	UniProt (P9WIB9) Pfam (PF01817)	Mycobacterium tuberculosis	CM,*MtCM
2	I, J, K, L, M... (a, b, c, d, e...)	Peptide L2.1	polymer	14	1766.1	8		Mycobacterium tuberculosis
3	AA, BA, CA, DA, EA... (C, D, E, F, G...)	SULFATE ION	non-polymer		96.1	23	Chemie (SO4)
4	AB, BB, NA, OA, PA... (g, h, A, B, C...)	water	water		18.0	90	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 34 - 199 (UniProt: P9WIB9)

PDB	External Database	Details
Gly 200	-	expression tag
Leu 201	-	expression tag
Asn 202	-	expression tag
Asp 203	-	expression tag
Ile 204	-	expression tag
Phe 205	-	expression tag
Glu 206	-	expression tag
Ala 207	-	expression tag
Gln 208	-	expression tag
Lys 209	-	expression tag
Ile 210	-	expression tag
Glu 211	-	expression tag
Trp 212	-	expression tag
His 213	-	expression tag
Glu 214	-	expression tag
Ser 215	-	expression tag
Ser 216	-	expression tag
Gly 217	-	expression tag
Leu 218	-	expression tag
Val 219	-	expression tag
Pro 220	-	expression tag
Arg 221	-	expression tag
Gly 222	-	expression tag
Ser 223	-	expression tag
Ala 224	-	expression tag
Ala 225	-	expression tag
Gly 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
His 232	-	expression tag
His 233	-	expression tag
His 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag
Glu 237	-	expression tag
Leu 238	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	197915.7
Non-Polymers*	Number of molecules	23
	Total formula weight	2209.4
All*	Total formula weight	200125.1

*Water molecules are not included.