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Chlorine in PDB 5c6i: Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation

Enzymatic activity of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation

All present enzymatic activity of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation, PDB code: 5c6i was solved by L.Galli, T.R.M.Barends, S.-K.Son, T.A.White, A.Barty, S.Botha, S.Boutet, C.Caleman, R.B.Doak, M.H.Nanao, K.Nass, R.L.Shoeman, N.Timneanu, R.Santra, I.Schlichting, H.N.Chapman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.44 / 1.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.200, 79.200, 39.400, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 22.2

Other elements in 5c6i:

The structure of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation also contains other interesting chemical elements:

Gadolinium (Gd) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation (pdb code 5c6i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation, PDB code: 5c6i:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5c6i

Go back to Chlorine Binding Sites List in 5c6i
Chlorine binding site 1 out of 4 in the Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation


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 Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:34.7
occ:1.00
OH A:TYR23 3.0 24.8 1.0
O A:HOH322 3.2 47.5 1.0
O A:HOH307 3.3 38.0 1.0
CZ A:TYR23 3.7 25.3 1.0
CE2 A:TYR23 3.7 25.4 1.0
CA A:GLY104 4.2 27.7 1.0
O A:ARG21 4.7 31.6 1.0
N A:GLY104 4.8 28.6 1.0
CE1 A:TYR23 4.9 25.0 1.0
CD2 A:TYR23 4.9 25.8 1.0

Chlorine binding site 2 out of 4 in 5c6i

Go back to Chlorine Binding Sites List in 5c6i
Chlorine binding site 2 out of 4 in the Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:37.1
occ:1.00
OG A:SER24 3.0 27.1 1.0
N A:GLY26 3.1 24.4 1.0
CB A:SER24 3.5 26.9 1.0
CA A:GLY26 3.5 24.8 1.0
CA A:GLN121 3.6 30.9 1.0
N A:GLN121 4.0 29.5 1.0
CB A:GLN121 4.0 32.1 1.0
N A:LEU25 4.1 26.1 1.0
CD1 A:ILE124 4.2 33.8 1.0
C A:SER24 4.3 26.8 1.0
CG A:GLN121 4.3 33.7 1.0
O A:VAL120 4.3 29.3 1.0
C A:LEU25 4.3 25.0 1.0
C A:VAL120 4.3 29.6 1.0
CG2 A:VAL120 4.4 30.0 1.0
CG1 A:ILE124 4.4 32.8 1.0
CA A:SER24 4.5 26.2 1.0
CA A:LEU25 4.6 25.7 1.0
C A:GLY26 4.6 24.9 1.0
O A:SER24 4.8 25.8 1.0
N A:ASN27 4.8 24.9 1.0
C A:GLN121 4.9 29.9 1.0
CB A:LEU25 5.0 27.1 1.0

Chlorine binding site 3 out of 4 in 5c6i

Go back to Chlorine Binding Sites List in 5c6i
Chlorine binding site 3 out of 4 in the Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:50.5
occ:1.00
N A:THR69 3.1 35.1 1.0
O A:THR69 3.2 37.8 1.0
N A:ARG68 3.3 33.3 1.0
C A:GLY67 3.5 33.2 1.0
CA A:GLY67 3.5 31.7 1.0
N A:GLY67 3.6 30.9 1.0
C A:THR69 3.6 38.5 1.0
ND2 A:ASN65 3.6 35.2 1.0
OG A:SER72 3.7 40.7 1.0
CA A:THR69 3.8 36.3 1.0
O A:HOH306 3.9 25.2 0.2
C A:ARG68 4.1 35.1 1.0
CA A:ARG68 4.1 34.2 1.0
OD1 A:ASP66 4.1 28.3 1.0
CB A:THR69 4.2 36.1 1.0
O A:GLY67 4.3 35.3 1.0
N A:PRO70 4.4 41.9 1.0
O A:HOH306 4.5 18.1 0.2
C A:ASP66 4.7 29.1 1.0
N A:ASP66 4.7 27.8 1.0
OG1 A:THR69 4.8 35.9 1.0
CA A:PRO70 4.8 43.8 1.0
CG A:ASN65 4.9 34.6 1.0
O A:HOH301 4.9 31.4 1.0
CB A:SER72 5.0 41.3 1.0

Chlorine binding site 4 out of 4 in 5c6i

Go back to Chlorine Binding Sites List in 5c6i
Chlorine binding site 4 out of 4 in the Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Gadolinium Derivative of Hewl Solved Using Free- Electron Laser Radiation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:64.8
occ:1.00
N A:ILE88 3.3 32.2 1.0
OD1 A:ASP87 3.6 38.6 1.0
CG1 A:ILE88 3.7 31.6 1.0
CA A:ASP87 3.8 34.0 1.0
C A:ASP87 4.0 32.6 1.0
O A:SER86 4.1 34.0 1.0
NH2 A:ARG14 4.1 41.6 1.0
NE2 A:HIS15 4.3 36.1 1.0
CA A:ILE88 4.3 31.7 1.0
CG A:ASP87 4.3 37.9 1.0
CB A:ILE88 4.4 31.9 1.0
CG2 A:ILE88 4.5 32.0 1.0
CB A:ALA11 4.5 30.6 1.0
CB A:ASP87 4.6 35.8 1.0
CD1 A:ILE88 4.6 32.0 1.0
CZ A:PHE3 4.6 32.2 1.0
N A:ASP87 4.8 32.6 1.0
N A:THR89 4.8 32.1 1.0
CD2 A:HIS15 4.9 35.3 1.0
C A:SER86 4.9 32.3 1.0

Reference:

L.Galli, S.K.Son, T.R.Barends, T.A.White, A.Barty, S.Botha, S.Boutet, C.Caleman, R.B.Doak, M.H.Nanao, K.Nass, R.L.Shoeman, N.Timneanu, R.Santra, I.Schlichting, H.N.Chapman. Towards Phasing Using High X-Ray Intensity. Iucrj V. 2 627 2015.
ISSN: ESSN 2052-2525
PubMed: 26594370
DOI: 10.1107/S2052252515014049
Page generated: Sat Dec 12 11:34:26 2020

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