11RJ

D189A thrombin inhibited with D-Phe-Pro-Arg-Chloromethylketone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Thrombin heavy chain	polymer	273	31381.0	1	UniProt (P00734)	Homo sapiens (human)
2	B (A)	Thrombin light chain	polymer	49	5641.2	1	UniProt (P00734)	Homo sapiens (human)
3	C (B)	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide	non-polymer		454.0	1	Chemie (0G6)
4	D (B)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
5	E, F (B, A)	water	water		18.0	88	Chemie (HOH)

Sequence modifications

B: 321 - 579 (UniProt: P00734)

PDB	External Database	Details
Ala 519	Asp 562	engineered mutation
Tyr 580	-	expression tag
Leu 581	-	expression tag
Glu 582	-	expression tag
Asp 583	-	expression tag
Gln 584	-	expression tag
Val 585	-	expression tag
Asp 586	-	expression tag
Pro 587	-	expression tag
Arg 588	-	expression tag
Leu 589	-	expression tag
Ile 590	-	expression tag
Asp 591	-	expression tag
Gly 592	-	expression tag
Lys 593	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37022.2
Non-Polymers*	Number of molecules	2
	Total formula weight	477.0
All*	Total formula weight	37499.2

*Water molecules are not included.