4YM9

Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0006508	biological_process	proteolysis
A	0006954	biological_process	inflammatory response
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue 4E4 A 1001

Chain	Residue
A	HIS57
A	PHE215
A	SO41004
A	HOH1235
A	HOH1242
A	THR96
A	VAL99
A	CYS191
A	GLN192
A	GLY193
A	ASP194
A	SER195
A	SER214

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 1002

Chain	Residue
A	TYR137
A	GLN156
A	TYR207
A	ACT1010

---

site_id	AC3
Number of Residues	7
Details	binding site for residue SO4 A 1003

Chain	Residue
A	ALA126
A	SER232
A	ALA233
A	TYR234
A	ILE235
A	SER236
A	HOH1198

---

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 1004

Chain	Residue
A	PHE215
A	VAL216
A	4E41001
A	SO41005

---

site_id	AC5
Number of Residues	4
Details	binding site for residue SO4 A 1005

Chain	Residue
A	GLU62
A	VAL99
A	THR174
A	SO41004

---

site_id	AC6
Number of Residues	7
Details	binding site for residue SO4 A 1006

Chain	Residue
A	THR146
A	GLN192
A	SER217
A	ARG217
A	GLY219
A	CYS220
A	HOH1193

---

site_id	AC7
Number of Residues	5
Details	binding site for residue ACT A 1007

Chain	Residue
A	ASN76
A	ASP77
A	GLY78
A	TYR137
A	TYR158

---

site_id	AC8
Number of Residues	5
Details	binding site for residue ACT A 1008

Chain	Residue
A	ARG36
A	THR64
A	SER173
A	THR174
A	HOH1106

---

site_id	AC9
Number of Residues	3
Details	binding site for residue ACT A 1009

Chain	Residue
A	ARG65
A	TYR82
A	VAL83

---

site_id	AD1
Number of Residues	3
Details	binding site for residue ACT A 1010

Chain	Residue
A	SER26
A	TYR207
A	SO41002

---

site_id	AD2
Number of Residues	2
Details	binding site for residue ACT A 1011

Chain	Residue
A	GLN152
A	THR153

---

site_id	AD3
Number of Residues	6
Details	binding site for residue NA A 1012

Chain	Residue
A	GLU70
A	ASN72
A	GLN75
A	GLU80
A	HOH1233
A	HOH1246

---

site_id	AD4
Number of Residues	5
Details	binding site for residue GOL A 1013

Chain	Residue
A	TRP38
A	HIS40
A	LEU73
A	ASN74
A	HOH1101

---

Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. MTAAHC

Chain	Residue	Details
A	MET53-CYS58

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. SGcqGDSGGPLH

Chain	Residue	Details
A	SER189-HIS200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	237
Details	Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"4578945","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"5415110","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"5415110","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7656008","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1ELA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ELB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ELC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---