3D67

Crystal structure of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI) in complex with 2-guanidino-ethyl-mercaptosuccinic acid (GEMSA)

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	Carboxypeptidase B2	polymer	424	48668.7	3	UniProt (Q96IY4) Pfam (PF02244) Pfam (PF00246) In PDB	Homo sapiens (human)	Carboxypeptidase U, CPU, Thrombin-activable fibrinolysis inhibitor, TAFI, Plasma carboxypeptidase B, pCPB
2	A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	11	Chemie (NAG)
3	A, B, C	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
4	A, B, C	(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID	non-polymer		235.3	3	Chemie (GEM)

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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	146006.1
Non-Polymers*	Number of molecules	17
	Total formula weight	3335.3
All*	Total formula weight	149341.4

*Water molecules are not included.