3D68

Crystal structure of a T325I/T329I/H333Y/H335Q mutant of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI-IIYQ)

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)	Carboxypeptidase B2	polymer	424	48707.8	3	UniProt (Q96IY4) Pfam (PF02244) Pfam (PF00246)	Homo sapiens (Human)	Carboxypeptidase U, CPU, Thrombin-activable fibrinolysis inhibitor, TAFI, Plasma carboxypeptidase B, pCPB
2	D, E, F, G, J... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	11	Chemie (NAG)
3	H, N, S (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
4	I, O, T (A, B, C)	ARGININE	non-polymer		175.2	3	Chemie (ARG)

Sequence modifications

A, B, C: 2 - 401 (UniProt: Q96IY4)

PDB	External Database	Details
Gly -22	-	expression tag
Ser -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 1	-	expression tag
Thr 147	Ala 169	SEE REMARK 999
Ile 325	Thr 347	engineered mutation
Ile 329	Thr 351	engineered mutation
Tyr 333	His 355	engineered mutation
Gln 335	His 357	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	146123.4
Non-Polymers*	Number of molecules	17
	Total formula weight	3155.1
All*	Total formula weight	149278.6

*Water molecules are not included.