5OM6

Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo2: a MMP9-cleavable drug-binding serpin for doxycycline

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003677	molecular_function	DNA binding
A	0004867	molecular_function	serine-type endopeptidase inhibitor activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0005634	cellular_component	nucleus
A	0006953	biological_process	acute-phase response
A	0006954	biological_process	inflammatory response
A	0019216	biological_process	regulation of lipid metabolic process
A	0030277	biological_process	maintenance of gastrointestinal epithelium
A	0030414	molecular_function	peptidase inhibitor activity
A	0031012	cellular_component	extracellular matrix
A	0031093	cellular_component	platelet alpha granule lumen
A	0034097	biological_process	response to cytokine
A	0034774	cellular_component	secretory granule lumen
A	0035578	cellular_component	azurophil granule lumen
A	0070062	cellular_component	extracellular exosome
A	0072562	cellular_component	blood microparticle
C	0003677	molecular_function	DNA binding
C	0004867	molecular_function	serine-type endopeptidase inhibitor activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0005634	cellular_component	nucleus
C	0006953	biological_process	acute-phase response
C	0006954	biological_process	inflammatory response
C	0019216	biological_process	regulation of lipid metabolic process
C	0030277	biological_process	maintenance of gastrointestinal epithelium
C	0030414	molecular_function	peptidase inhibitor activity
C	0031012	cellular_component	extracellular matrix
C	0031093	cellular_component	platelet alpha granule lumen
C	0034097	biological_process	response to cytokine
C	0034774	cellular_component	secretory granule lumen
C	0035578	cellular_component	azurophil granule lumen
C	0070062	cellular_component	extracellular exosome
C	0072562	cellular_component	blood microparticle

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	binding site for residue CIT A 401

Chain	Residue
A	HIS225
C	ARG232
C	ASP257
D	ARG374
A	GLU284
A	HOH526
A	HOH527
A	HOH538
A	HOH558
A	HOH566
B	THR366
B	ARG367

---

site_id	AC2
Number of Residues	4
Details	binding site for residue EDO A 402

Chain	Residue
A	ASN30
A	SER95
A	PHE96
A	HOH556

---

site_id	AC3
Number of Residues	14
Details	binding site for residue CIT C 401

Chain	Residue
C	LEU210
C	SER211
C	ASP257
C	GLN258
C	ASP259
C	LYS260
C	MET261
C	GLU262
C	HOH513
C	HOH544
C	HOH560
C	HOH592
D	ARG374
D	PRO375

---

site_id	AC4
Number of Residues	7
Details	binding site for residue EDO C 402

Chain	Residue
C	ASN116
C	ALA117
C	GLY139
C	SER140
C	GLU141
C	PHE143
C	HOH505

---

site_id	AC5
Number of Residues	5
Details	binding site for residue CL C 403

Chain	Residue
C	ARG349
D	MET378
D	PHE390
D	MET391
D	SER392

---

Functional Information from PROSITE/UniProt

site_id	PS00284
Number of Residues	11
Details	SERPIN Serpins signature. VRFNRPFLMiI

Chain	Residue	Details
B	VAL370-ILE380

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	DNA binding: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"12754519","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14760718","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"12754519","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---