6H18

Crystal structure of sarin surrogate NIMP inhibited recombinant human bile salt activated lipase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006629	biological_process	lipid metabolic process
A	0016788	molecular_function	hydrolase activity, acting on ester bonds

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue ZN A 601

Chain	Residue
A	HIS48
A	ACT614
A	HOH714
A	HOH731
A	HOH867

---

site_id	AC2
Number of Residues	3
Details	binding site for residue ZN A 602

Chain	Residue
A	HIS168
A	GLU342
A	ACT613

---

site_id	AC3
Number of Residues	3
Details	binding site for residue ZN A 603

Chain	Residue
A	GLU78
A	ASP476
A	ASP77

---

site_id	AC4
Number of Residues	3
Details	binding site for residue ZN A 604

Chain	Residue
A	HIS115
A	ACT615
A	ACT616

---

site_id	AC5
Number of Residues	5
Details	binding site for residue ZN A 605

Chain	Residue
A	HIS420
A	HIS435
A	TYR441
A	ARG454
A	ASP457

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN A 606

Chain	Residue
A	ASP79
A	HIS487
A	GLU489
A	ACT612

---

site_id	AC7
Number of Residues	1
Details	binding site for residue ZN A 607

Chain	Residue
A	ASP97

---

site_id	AC8
Number of Residues	3
Details	binding site for residue ZN A 608

Chain	Residue
A	HIS283
A	ACT618
A	HOH855

---

site_id	AC9
Number of Residues	1
Details	binding site for residue ZN A 609

Chain	Residue
A	GLU350

---

site_id	AD1
Number of Residues	3
Details	binding site for residue ZN A 610

Chain	Residue
A	HIS322
A	ASP434
A	ASP437

---

site_id	AD2
Number of Residues	6
Details	binding site for residue ZN A 611

Chain	Residue
A	GLU193
A	ASN317
A	ASP437
A	ASP438
A	ACT617
A	HOH702

---

site_id	AD3
Number of Residues	6
Details	binding site for residue ACT A 612

Chain	Residue
A	ASP77
A	ASP79
A	HIS487
A	GLU489
A	PRO490
A	ZN606

---

site_id	AD4
Number of Residues	6
Details	binding site for residue ACT A 613

Chain	Residue
A	HIS168
A	TYR208
A	GLU341
A	GLU342
A	ZN602
A	HOH745

---

site_id	AD5
Number of Residues	4
Details	binding site for residue ACT A 614

Chain	Residue
A	HIS48
A	TYR82
A	ZN601
A	HOH714

---

site_id	AD6
Number of Residues	3
Details	binding site for residue ACT A 615

Chain	Residue
A	PHE60
A	ZN604
A	ACT616

---

site_id	AD7
Number of Residues	4
Details	binding site for residue ACT A 616

Chain	Residue
A	ARG63
A	TYR75
A	ZN604
A	ACT615

---

site_id	AD8
Number of Residues	6
Details	binding site for residue ACT A 617

Chain	Residue
A	GLU193
A	SGB194
A	ASP320
A	ILE323
A	ASP437
A	ZN611

---

site_id	AD9
Number of Residues	4
Details	binding site for residue ACT A 618

Chain	Residue
A	HIS283
A	GLU350
A	ZN608
A	HOH855

---

Functional Information from PROSITE/UniProt

site_id	PS00122
Number of Residues	16
Details	CARBOXYLESTERASE_B_1 Carboxylesterases type-B serine active site. FGGdpdnItLfGeSAG

Chain	Residue	Details
A	PHE181-GLY196

---

site_id	PS00941
Number of Residues	11
Details	CARBOXYLESTERASE_B_2 Carboxylesterases type-B signature 2. EDCLYLNIWvP

Chain	Residue	Details
A	GLU78-PRO88

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	100
Details	Region: {"description":"Heparin-binding"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PROSITE-ProRule","id":"PRU10039","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"1991511","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":"1991511","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","featureId":"CAR_000141"}

Chain

Residue

Details

---