Calcium in PDB 9est: Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex

Enzymatic activity of Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex

All present enzymatic activity of Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex:
3.4.21.36;

Protein crystallography data

The structure of Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex, PDB code: 9est was solved by R.Radhakrishnan, J.C.Powers, E.F.Meyer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	6.00 / 1.90
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	51.130, 58.140, 75.450, 90.00, 90.00, 90.00
*R / R_free (%)*	n/a / n/a

Other elements in 9est:

Bromine

(Br)

1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex (pdb code 9est). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex, PDB code: 9est:

Calcium binding site 1 out of 1 in 9est

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Calcium Binding Sites List in 9est

Calcium binding site 1 out of 1 in the Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Study of Porcine Pancreatic Elastase Complexed with 7- Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca325 b:38.8 occ:1.00	OE2	A:GLU80	2.0	14.2	1.0
	O	A:GLN75	2.1	28.4	1.0
	OE1	A:GLU70	2.2	44.6	1.0
	O	A:ASN72	2.4	20.5	1.0
	O	A:HOH327	2.6	38.0	1.0
	ND2	A:ASN77	2.9	23.7	1.0
	CD	A:GLU80	3.1	21.6	1.0
	C	A:GLN75	3.3	18.6	1.0
	CD	A:GLU70	3.3	32.4	1.0
	CG	A:GLU80	3.5	15.6	1.0
	CG	A:ASN77	3.6	42.9	1.0
	C	A:ASN72	3.6	43.6	1.0
	OE2	A:GLU70	3.7	41.6	1.0
	N	A:ASN77	3.7	21.8	1.0
	CA	A:ASN76	4.0	35.4	1.0
	N	A:ASN76	4.0	26.1	1.0
	CB	A:ASN77	4.1	16.3	1.0
	N	A:ASN72	4.1	24.4	1.0
	OE1	A:GLU80	4.1	17.6	1.0
	C	A:ASN76	4.2	30.9	1.0
	OD1	A:ASN77	4.3	28.2	1.0
	N	A:GLN75	4.3	43.4	1.0
	CA	A:ASN72	4.3	34.2	1.0
	CA	A:GLN75	4.4	50.0	1.0
	O	A:LEU73	4.5	32.8	1.0
	CA	A:ASN77	4.5	33.2	1.0
	CG	A:GLU70	4.5	19.5	1.0
	N	A:LEU73	4.6	28.3	1.0
	C	A:LEU73	4.7	27.9	1.0
	N	A:HIS71	4.7	16.1	1.0
	CB	A:ASN72	4.7	7.0	1.0
	CA	A:LEU73	4.8	23.5	1.0
	CB	A:GLU80	5.0	5.3	1.0
	OH	A:TYR82	5.0	33.2	1.0

Reference:

J.Vijayalakshmi, E.F.Meyer Jr., C.M.Kam, J.C.Powers. Structural Study of Porcine Pancreatic Elastase Complexed with 7-Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin As A Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex. Biochemistry V. 30 2175 1991.
ISSN: ISSN 0006-2960
PubMed: 1998677
DOI: 10.1021/BI00222A022

Page generated: Thu Jul 10 09:33:50 2025

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