Chlorine in PDB 5l7p: In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites

Enzymatic activity of In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites

All present enzymatic activity of In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites:
6.1.1.1;

Protein crystallography data

The structure of In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites, PDB code: 5l7p was solved by M.Hauf, F.Richter, T.Schneider, B.M.Martins, T.Baumann, P.Durkin, H.Dobbek, A.Moeglich, N.Budisa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	43.24 / 1.90
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	55.507, 78.275, 137.883, 90.00, 90.00, 90.00
*R / R_free (%)*	17.8 / 21.8

Other elements in 5l7p:

The structure of In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites (pdb code 5l7p). 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 In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites, PDB code: 5l7p:

Chlorine binding site 1 out of 1 in 5l7p

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Chlorine Binding Sites List in 5l7p

Chlorine binding site 1 out of 1 in the In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of In Silico-Powered Specific Incorporation of Photocaged Dopa at Multiple Protein Sites within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl403 b:33.2 occ:1.00	H232	A:1PE401	2.4	55.9	1.0
	H	A:ALA70	2.5	38.0	1.0
	HB3	A:LEU69	2.6	48.1	1.0
	HA3	A:GLY105	2.7	36.5	1.0
	HA	A:ALA67	2.7	39.0	1.0
	H	A:LEU69	2.8	45.4	1.0
	HB1	A:ALA67	3.1	42.8	1.0
	C23	A:1PE401	3.2	46.6	1.0
	N	A:ALA70	3.3	31.7	1.0
	H231	A:1PE401	3.3	55.9	1.0
	CA	A:ALA67	3.4	32.5	1.0
	N	A:LEU69	3.4	37.8	1.0
	H131	A:1PE401	3.4	61.0	1.0
	CB	A:LEU69	3.5	40.1	1.0
	C	A:ALA67	3.5	26.7	1.0
	HB2	A:ALA70	3.5	36.0	1.0
	H	A:ASP68	3.6	33.5	1.0
	CA	A:GLY105	3.7	30.4	1.0
	HB2	A:LEU69	3.7	48.1	1.0
	CB	A:ALA67	3.7	35.6	1.0
	N	A:ASP68	3.7	27.9	1.0
	CA	A:LEU69	3.8	34.8	1.0
	HB3	A:ALA70	3.8	36.0	1.0
	C13	A:1PE401	3.8	50.9	1.0
	C	A:LEU69	4.0	33.0	1.0
	CB	A:ALA70	4.0	30.0	1.0
	HB2	A:ALA67	4.0	42.8	1.0
	H121	A:1PE401	4.0	43.7	1.0
	O	A:ALA67	4.0	33.9	1.0
	H	A:GLY105	4.0	34.9	1.0
	HA2	A:GLY105	4.1	36.5	1.0
	HD23	A:LEU69	4.1	55.5	1.0
	H132	A:1PE401	4.2	61.0	1.0
	OH2	A:1PE401	4.2	42.6	1.0
	CA	A:ALA70	4.3	35.6	1.0
	H221	A:1PE401	4.3	57.1	1.0
	C	A:ASP68	4.3	34.6	1.0
	OH3	A:1PE401	4.3	38.9	1.0
	N	A:GLY105	4.4	29.1	1.0
	C	A:GLY105	4.4	36.2	1.0
	OD1	A:ASP68	4.4	28.8	1.0
	HO2	A:1PE401	4.4	51.1	1.0
	C12	A:1PE401	4.5	36.4	1.0
	HB3	A:ALA67	4.5	42.8	1.0
	C22	A:1PE401	4.6	47.6	1.0
	CA	A:ASP68	4.6	26.7	1.0
	CG	A:LEU69	4.6	45.8	1.0
	O	A:LEU66	4.7	27.9	1.0
	H	A:SER106	4.7	34.5	1.0
	N	A:ALA67	4.7	22.4	1.0
	CD2	A:LEU69	4.7	46.3	1.0
	HA	A:LEU69	4.7	41.8	1.0
	HA	A:ALA70	4.7	42.7	1.0
	N	A:SER106	4.8	28.7	1.0
	HD22	A:LEU69	4.8	55.5	1.0
	HG	A:LEU69	4.8	55.0	1.0
	H	A:ALA71	4.9	39.3	1.0
	HB1	A:ALA70	4.9	36.0	1.0
	HG22	A:ILE65	4.9	32.1	1.0

Reference:

M.Hauf, F.Richter, T.Schneider, T.Faidt, B.M.Martins, T.Baumann, P.Durkin, H.Dobbek, K.Jacobs, A.Moglich, N.Budisa. Photoactivatable Mussel-Based Underwater Adhesive Proteins By An Expanded Genetic Code. Chembiochem V. 18 1819 2017.
ISSN: ESSN 1439-7633
PubMed: 28650092
DOI: 10.1002/CBIC.201700327

Page generated: Sat Jul 12 04:27:52 2025

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