Chlorine in PDB 3qyl: Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate

Enzymatic activity of Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate

All present enzymatic activity of Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate:
1.5.1.3;

Protein crystallography data

The structure of Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate, PDB code: 3qyl was solved by E.J.Collins, A.L.Lee, M.J.Carroll, R.V.Mauldin, A.V.Gromova, S.F.Singleton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	27.02 / 1.79
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	33.865, 44.820, 97.808, 90.00, 90.00, 90.00
*R / R_free (%)*	17.5 / 20.9

Other elements in 3qyl:

The structure of Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate (pdb code 3qyl). 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 Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate, PDB code: 3qyl:

Chlorine binding site 1 out of 1 in 3qyl

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Chlorine Binding Sites List in 3qyl

Chlorine binding site 1 out of 1 in the Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sensitivity of Receptor Internal Motions to Ligand Binding Affinity and Kinetic Off-Rate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl227 b:24.8 occ:1.00	NH1	A:ARG57	3.1	14.5	1.0
	NH2	A:ARG57	3.2	14.4	1.0
	CE	A:LYS32	3.5	43.8	1.0
	CZ	A:ARG57	3.6	22.6	1.0
	CB	A:LYS32	3.8	15.5	1.0
	CD2	A:PHE31	3.8	13.1	1.0
	CG	A:LYS32	3.9	14.8	1.0
	CE2	A:PHE31	4.0	14.4	1.0
	CA	A:LYS32	4.1	12.8	1.0
	CD2	A:LEU54	4.2	18.1	1.0
	CD	A:LYS32	4.3	19.8	1.0
	N	A:LYS32	4.5	13.2	1.0
	NZ	A:LYS32	4.6	53.1	1.0
	O	A:LEU28	4.7	15.5	1.0
	NE	A:ARG57	4.9	14.7	1.0

Reference:

M.J.Carroll, R.V.Mauldin, A.V.Gromova, S.F.Singleton, E.J.Collins, A.L.Lee. Evidence For Dynamics in Proteins As A Mechanism For Ligand Dissociation. Nat.Chem.Biol. V. 8 246 2012.
ISSN: ISSN 1552-4450
PubMed: 22246400
DOI: 10.1038/NCHEMBIO.769

Page generated: Sun Jul 21 03:17:49 2024

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