1APW

CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: DIFLUOROSTATINE-AND DIFLUOROSTATONE-CONTAINING PEPTIDES

Functional Information from GO Data

Chain	GOid	namespace	contents
E	0004190	molecular_function	aspartic-type endopeptidase activity
E	0005576	cellular_component	extracellular region
E	0006508	biological_process	proteolysis
E	0008233	molecular_function	peptidase activity
E	0016787	molecular_function	hydrolase activity

Functional Information from PROSITE/UniProt

site_id	PS00141
Number of Residues	12
Details	ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. LNFDTGSADLWV

Chain	Residue	Details
E	LEU30-VAL41
E	GLY210-LEU221

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	303
Details	Domain: {"description":"Peptidase A1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"5475460","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	1
Details	Glycosylation: {"description":"O-linked (Man...) serine","evidences":[{"source":"PubMed","id":"9836576","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"1998","firstPage":"4610","lastPage":"4621","volume":"120","journal":"J. Am. Chem. Soc.","title":"Macrocyclic inhibitors of penicillopepsin. II. X-Ray crystallographic analyses of penicillopepsin complexed with a P3-P1 macrocyclic peptidyl inhibitor and with its two acyclic analogues.","authors":["Ding J.","Fraser M.E.","Meyer J.H.","Bartlett P.A.","James M.N.G."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/ja973714r"}]}}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	1
Details	Glycosylation: {"description":"O-linked (Man...) threonine","evidences":[{"source":"PubMed","id":"9836576","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"journal article","publicationDate":"1998","firstPage":"4610","lastPage":"4621","volume":"120","journal":"J. Am. Chem. Soc.","title":"Macrocyclic inhibitors of penicillopepsin. II. X-Ray crystallographic analyses of penicillopepsin complexed with a P3-P1 macrocyclic peptidyl inhibitor and with its two acyclic analogues.","authors":["Ding J.","Fraser M.E.","Meyer J.H.","Bartlett P.A.","James M.N.G."],"citationCrossReferences":[{"database":"DOI","id":"10.1021/ja973714r"}]}}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	ASP33

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site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	ASP213

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site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	THR216
E	ASP33
E	ASP213
E	SER36

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site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	THR34
E	ASP33
E	ASP213
E	THR214

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site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	ASP33
E	ASP213
E	SER36

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site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	THR34
E	THR216
E	ASP33
E	ASP213

---

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1am5

Chain	Residue	Details
E	TYR75
E	ASP33
E	ASP213
E	SER36

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