Chlorine in PDB 5qiy: Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954

Enzymatic activity of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954

All present enzymatic activity of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954:
3.4.19.12;

Protein crystallography data

The structure of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954, PDB code: 5qiy was solved by R.Sethi, A.Douangamath, E.Resnick, A.R.Bradley, P.Collins, J.Brandao-Neto, R.Talon, T.Krojer, C.Bountra, C.H.Arrowsmith, A.Edwards, N.London, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.10 / 1.58
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	47.093, 58.167, 49.453, 90.00, 115.90, 90.00
*R / R_free (%)*	17.6 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954 (pdb code 5qiy). 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 Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954, PDB code: 5qiy:

Chlorine binding site 1 out of 1 in 5qiy

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Chlorine Binding Sites List in 5qiy

Chlorine binding site 1 out of 1 in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102954 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl301 b:33.5 occ:1.00	CL	A:J61301	0.0	33.5	1.0
	C8	A:J61301	1.8	31.2	1.0
	C3	A:J61301	2.7	26.1	1.0
	C7	A:J61301	2.7	29.2	1.0
	O1	A:J61301	2.9	23.4	1.0
	C2	A:J61301	3.0	25.3	1.0
	OG	A:SER223	3.0	44.7	1.0
	O	A:THR222	3.1	57.7	1.0
	C6	A:J61301	4.0	28.6	1.0
	C4	A:J61301	4.0	28.1	1.0
	N1	A:J61301	4.2	23.1	1.0
	C	A:THR222	4.3	50.7	1.0
	CB	A:SER223	4.4	41.6	1.0
	C5	A:J61301	4.5	28.5	1.0
	OG1	A:THR222	4.8	67.1	1.0
	CB	A:HIS224	4.8	24.0	1.0
	N	A:J61301	4.9	21.5	1.0
	C	A:SER223	4.9	32.0	1.0

Reference:

R.Sethi, A.Douangamath, E.Resnick, A.R.Bradley, P.Collins, J.Brandao-Neto, R.Talon, T.Krojer, C.Bountra, C.H.Arrowsmith, A.Edwards, N.London, F.Von Delft. Covalent Fragment Group Deposition To Be Published.

Page generated: Sat Jul 12 07:41:25 2025

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