4DJZ

Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Mannan-binding lectin serine protease 1 heavy chain	polymer	155	17508.2	2	UniProt (P48740) Pfam (PF00084) In PDB	Homo sapiens (human)	Mannan-binding lectin serine protease 1, Complement factor MASP-3, Complement-activating component of Ra-reactive factor, Mannose-binding lectin-associated serine protease 1, MASP-1, Mannose-binding protein-associated serine protease, Ra-reactive factor serine protease p100, RaRF, Serine protease 5
2	B, D	Mannan-binding lectin serine protease 1 light chain	polymer	251	28028.9	2	UniProt (P48740) Pfam (PF00089) In PDB	Homo sapiens (human)	Mannan-binding lectin serine protease 1, Complement factor MASP-3, Complement-activating component of Ra-reactive factor, Mannose-binding lectin-associated serine protease 1, MASP-1, Mannose-binding protein-associated serine protease, Ra-reactive factor serine protease p100, RaRF, Serine protease 5
3	H, I	Protease inhibitor SGPI-2	polymer	38	4088.6	2	UniProt (O46162) Pfam (PF05375) In PDB	Schistocerca gregaria (desert locust)	Protease inhibitor SGPI-2, Schistocerca gregaria chymotrypsin inhibitor, SGCI
4		water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, C: 298 - 448 (UniProt: P48740)

PDB	External Database	Details
Ala 294	-	expression tag
Ser 295	-	expression tag
Met 296	-	expression tag
Thr 297	-	expression tag

B, D: 449 - 699 (UniProt: P48740)

PDB	External Database	Details
Lys 499	Glu 499	variant

H, I: 4 - 38 (UniProt: O46162)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag
Gly 3	-	expression tag
Phe 30	Ala 83	engineered mutation
Arg 33	Leu 86	engineered mutation
Leu 35	Ala 88	engineered mutation
Tyr 37	Pro 90	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	99251.5
All*	Total formula weight	99251.5

*Water molecules are not included.