Chlorine in PDB 2nqd: Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L

Enzymatic activity of Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L

All present enzymatic activity of Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L:
3.4.22.15;

Protein crystallography data

The structure of Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L, PDB code: 2nqd was solved by I.Redzynia, G.Bujacz, A.Ljunggren, M.Jaskolski, M.Abrahamson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	40.00 / 1.75
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	59.270, 50.063, 65.008, 90.00, 103.44, 90.00
*R / R_free (%)*	14.8 / 18.8

Other elements in 2nqd:

The structure of Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L (pdb code 2nqd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L, PDB code: 2nqd:

Chlorine binding site 1 out of 1 in 2nqd

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Chlorine Binding Sites List in 2nqd

Chlorine binding site 1 out of 1 in the Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Cysteine Protease Inhibitor, Chagasin, in Complex with Human Cathepsin L within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl1001 b:44.1 occ:1.00	ND2	B:ASN66	2.6	24.0	1.0
	N	A:GLY68	2.8	16.6	1.0
	O	B:HOH1393	2.8	31.4	1.0
	O	B:HOH1276	2.9	46.0	1.0
	O	B:HOH1275	3.1	44.2	1.0
	CB	B:ASN66	3.4	18.0	1.0
	CG	B:ASN66	3.4	23.6	1.0
	O	B:HOH1214	3.4	33.9	1.0
	CA	B:ASN66	3.5	17.3	1.0
	CA	A:ALA67	3.7	15.9	1.0
	C	A:ALA67	3.7	16.5	1.0
	CA	A:GLY68	3.8	16.9	1.0
	O	A:HOH737	3.9	32.2	1.0
	O	B:ASN66	4.0	16.7	1.0
	C	B:ASN66	4.1	16.2	1.0
	O	A:HOH568	4.3	19.1	1.0
	CB	A:ALA67	4.3	16.2	1.0
	OD1	B:ASN66	4.5	33.0	1.0
	O	B:HOH1100	4.6	20.6	1.0
	O	B:HOH1385	4.6	63.2	1.0
	O	A:GLY66	4.7	15.6	1.0
	O	A:GLY68	4.7	16.4	1.0
	O	B:CYS65	4.7	16.0	1.0
	N	B:ASN66	4.7	16.1	1.0
	C	A:GLY68	4.8	16.3	1.0
	N	A:ALA67	4.9	16.2	1.0
	O	A:ALA67	4.9	17.3	1.0

Reference:

A.Ljunggren, I.Redzynia, M.Alvarez-Fernandez, M.Abrahamson, J.S.Mort, J.C.Krupa, M.Jaskolski, G.Bujacz. Crystal Structure of the Parasite Protease Inhibitor Chagasin in Complex with A Host Target Cysteine Protease J.Mol.Biol. V. 371 137 2007.
ISSN: ISSN 0022-2836
PubMed: 17561110
DOI: 10.1016/J.JMB.2007.05.005

Page generated: Sat Jul 20 09:12:09 2024

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