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Chlorine in PDB 4x3b: A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering

Enzymatic activity of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering

All present enzymatic activity of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering:
3.2.1.17;

Protein crystallography data

The structure of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering, PDB code: 4x3b was solved by P.Roedig, I.Vartiainen, R.Duman, S.Panneerselvam, N.Stuebe, O.Lorbeer, M.Warmer, G.Sutton, D.I.Stuart, E.Weckert, C.David, A.Wagner, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.55 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.210, 78.210, 37.380, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.9

Other elements in 4x3b:

The structure of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering (pdb code 4x3b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering, PDB code: 4x3b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4x3b

Go back to Chlorine Binding Sites List in 4x3b
Chlorine binding site 1 out of 6 in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:29.0
occ:1.00
 HH A:TYR23 2.8 25.7 1.0
OH A:TYR23 2.9 19.4 1.0
HE2 A:TYR23 3.2 19.0 1.0
HA3 A:GLY104 3.2 20.5 1.0
CZ A:TYR23 3.7 19.1 1.0
CE2 A:TYR23 3.7 19.0 1.0
HA2 A:GLY104 4.0 20.5 1.0
CA A:GLY104 4.0 20.5 1.0
N A:GLY104 4.5 21.5 1.0
H A:MET105 4.6 16.4 1.0
H A:GLY104 4.7 32.1 1.0
O A:HOH328 4.7 35.6 1.0
HG2 A:ARG21 4.8 35.4 1.0
O A:ARG21 4.8 29.4 1.0
CE1 A:TYR23 4.9 19.0 1.0
CD2 A:TYR23 4.9 18.9 1.0
HH11 A:ARG21 5.0 45.2 1.0

Chlorine binding site 2 out of 6 in 4x3b

Go back to Chlorine Binding Sites List in 4x3b
Chlorine binding site 2 out of 6 in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:35.8
occ:1.00
 H A:THR69 2.1 40.5 1.0
O A:HOH365 2.9 17.9 1.0
N A:THR69 3.0 26.6 1.0
H A:ARG68 3.1 31.1 1.0
HA2 A:GLY67 3.2 22.9 1.0
H A:GLY67 3.2 22.0 1.0
N A:ARG68 3.3 31.1 1.0
O A:THR69 3.4 27.5 1.0
O A:HOH392 3.4 27.5 1.0
HD21 A:ASN65 3.4 24.4 1.0
HD22 A:ASN65 3.4 24.4 1.0
C A:GLY67 3.5 23.8 1.0
HB A:THR69 3.5 26.6 1.0
HG A:SER72 3.5 42.0 1.0
CA A:GLY67 3.6 22.9 1.0
C A:THR69 3.6 25.6 1.0
O A:HOH344 3.6 51.3 1.0
N A:GLY67 3.6 21.9 1.0
OG A:SER72 3.6 25.5 1.0
CA A:THR69 3.7 24.7 1.0
ND2 A:ASN65 3.7 24.4 1.0
O A:HOH366 3.9 24.1 1.0
C A:ARG68 4.0 32.7 1.0
OD1 A:ASP66 4.0 23.8 1.0
HG1 A:THR69 4.0 37.9 1.0
CB A:THR69 4.0 26.6 1.0
CA A:ARG68 4.1 30.8 1.0
H A:ASP66 4.2 26.2 1.0
HA A:ARG68 4.2 30.8 1.0
O A:GLY67 4.2 24.9 1.0
N A:PRO70 4.4 26.0 1.0
OG1 A:THR69 4.5 25.2 1.0
HA3 A:GLY67 4.5 22.9 1.0
HA A:PRO70 4.6 28.2 1.0
HA A:THR69 4.6 24.7 1.0
NA A:NA206 4.6 27.0 1.0
C A:ASP66 4.7 21.4 1.0
H A:SER72 4.7 43.5 1.0
HA A:ASN65 4.7 20.5 1.0
N A:ASP66 4.8 20.1 1.0
CG A:ASN65 4.9 24.5 1.0
CA A:PRO70 5.0 28.2 1.0
CB A:SER72 5.0 26.3 1.0

Chlorine binding site 3 out of 6 in 4x3b

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Chlorine binding site 3 out of 6 in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:34.5
occ:1.00
 H A:GLY26 2.3 29.8 1.0
HA3 A:GLY26 2.7 12.5 1.0
HA A:GLN121 2.8 30.7 1.0
HB2 A:SER24 2.9 23.4 1.0
N A:GLY26 3.0 17.0 1.0
OG A:SER24 3.0 23.1 1.0
HD11 A:ILE124 3.2 33.7 1.0
HB2 A:GLN121 3.2 32.5 1.0
CA A:GLY26 3.3 12.5 1.0
HG23 A:VAL120 3.4 28.0 1.0
HG A:SER24 3.4 34.3 1.0
CB A:SER24 3.5 23.4 1.0
HD13 A:ILE124 3.5 33.7 1.0
HG12 A:ILE124 3.5 32.5 1.0
CA A:GLN121 3.6 30.7 1.0
CB A:GLN121 3.7 32.5 1.0
CD1 A:ILE124 3.7 33.7 1.0
HB3 A:GLN121 3.7 32.5 1.0
HA2 A:GLY26 3.8 12.5 1.0
N A:GLN121 4.0 29.4 1.0
CG1 A:ILE124 4.1 32.5 1.0
HB3 A:SER24 4.1 23.4 1.0
N A:LEU25 4.2 18.4 1.0
H A:LEU25 4.2 28.2 1.0
H A:ASN27 4.2 16.1 1.0
C A:LEU25 4.2 15.7 1.0
CG2 A:VAL120 4.3 28.0 1.0
HB3 A:LEU25 4.3 19.9 1.0
C A:SER24 4.3 22.7 1.0
HG21 A:VAL120 4.4 28.0 1.0
H A:GLN121 4.4 29.4 1.0
C A:VAL120 4.4 27.9 1.0
HE21 A:GLN121 4.4 41.6 1.0
C A:GLY26 4.4 14.9 1.0
HB A:VAL120 4.4 26.5 1.0
O A:VAL120 4.5 27.6 1.0
CA A:SER24 4.5 22.5 1.0
HD12 A:ILE124 4.6 33.7 1.0
HG13 A:ILE124 4.6 32.5 1.0
CA A:LEU25 4.6 19.9 1.0
N A:ASN27 4.6 16.1 1.0
O A:SER24 4.7 22.0 1.0
C A:GLN121 4.8 30.6 1.0
CB A:VAL120 4.9 26.5 1.0
HG23 A:ILE124 4.9 30.9 1.0
CB A:LEU25 4.9 19.9 1.0
HG21 A:ILE124 5.0 30.9 1.0
HG22 A:VAL120 5.0 28.0 1.0

Chlorine binding site 4 out of 6 in 4x3b

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Chlorine binding site 4 out of 6 in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:39.7
occ:1.00
 HG23 A:VAL2 2.7 25.3 1.0
O A:HOH316 2.9 21.8 1.0
H2 A:LYS1 3.5 29.6 1.0
CG2 A:VAL2 3.6 25.3 1.0
H A:VAL2 3.7 30.0 1.0
HG21 A:VAL2 3.7 25.3 1.0
HA A:LYS1 3.9 25.7 1.0
HE21 A:GLN41 3.9 18.1 1.0
O A:HOH369 3.9 29.6 1.0
HG22 A:VAL2 4.1 25.3 1.0
N A:VAL2 4.1 25.4 1.0
N A:LYS1 4.3 29.6 1.0
CA A:LYS1 4.4 25.7 1.0
HB A:VAL2 4.5 25.4 1.0
C A:LYS1 4.5 24.7 1.0
H1 A:LYS1 4.5 29.6 1.0
NE2 A:GLN41 4.6 18.1 1.0
CB A:VAL2 4.6 25.4 1.0
HE22 A:GLN41 4.6 18.1 1.0
OD1 A:ASN39 4.9 17.3 1.0
CA A:VAL2 5.0 24.7 1.0

Chlorine binding site 5 out of 6 in 4x3b

Go back to Chlorine Binding Sites List in 4x3b
Chlorine binding site 5 out of 6 in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:54.9
occ:1.00
 H A:GLU7 2.6 35.9 1.0
O A:HOH376 2.6 34.0 1.0
HA3 A:GLY4 2.9 26.7 1.0
HB2 A:GLU7 3.0 32.1 1.0
HB2 A:CYS6 3.1 36.2 1.0
H A:CYS6 3.3 31.3 1.0
N A:GLU7 3.3 27.9 1.0
CB A:GLU7 3.7 32.1 1.0
N A:CYS6 3.7 26.8 1.0
CA A:GLY4 3.7 26.7 1.0
HB3 A:GLU7 3.7 32.1 1.0
C A:GLY4 3.8 25.6 1.0
N A:ARG5 4.0 24.9 1.0
H A:ARG5 4.0 24.9 1.0
CB A:CYS6 4.0 36.2 1.0
CA A:GLU7 4.0 26.7 1.0
C A:CYS6 4.1 30.4 1.0
CA A:CYS6 4.1 29.6 1.0
O A:GLY4 4.3 25.9 1.0
H A:GLY4 4.3 34.9 1.0
HA2 A:GLY4 4.3 26.7 1.0
HA A:GLU7 4.4 26.7 1.0
C A:ARG5 4.5 23.9 1.0
HB3 A:CYS6 4.5 36.2 1.0
N A:GLY4 4.6 27.0 1.0
CA A:ARG5 4.8 23.9 1.0
HB3 A:ARG5 5.0 24.4 1.0
CG A:GLU7 5.0 33.2 1.0

Chlorine binding site 6 out of 6 in 4x3b

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Chlorine binding site 6 out of 6 in the A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:50.8
occ:1.00
 O A:HOH396 2.1 27.5 1.0
H A:ASN59 2.7 25.6 1.0
HA A:ILE58 2.9 17.4 1.0
HD1 A:TRP63 3.3 19.8 1.0
HB3 A:ASN59 3.4 30.1 1.0
HD13 A:ILE98 3.4 22.3 1.0
N A:ASN59 3.4 25.6 1.0
HE1 A:TRP63 3.5 28.2 1.0
HB2 A:ASN59 3.5 30.1 1.0
CD1 A:TRP63 3.8 19.8 1.0
NE1 A:TRP63 3.8 19.6 1.0
HG23 A:ILE58 3.8 19.4 1.0
CB A:ASN59 3.8 30.1 1.0
CA A:ILE58 3.9 17.4 1.0
O A:GLN57 3.9 17.6 1.0
HG21 A:ILE98 4.1 21.6 1.0
C A:ILE58 4.1 18.1 1.0
O A:HOH378 4.2 33.1 1.0
HD11 A:ILE98 4.2 22.3 1.0
HG12 A:ILE58 4.2 18.7 1.0
CD1 A:ILE98 4.2 22.3 1.0
CA A:ASN59 4.3 28.0 1.0
HG12 A:ILE98 4.6 23.0 1.0
CG2 A:ILE58 4.6 19.4 1.0
HB1 A:ALA107 4.7 20.1 1.0
O A:ALA107 4.7 19.2 1.0
CB A:ILE58 4.7 16.4 1.0
HE1 A:TRP108 4.7 21.9 1.0
C A:GLN57 4.7 18.0 1.0
N A:ILE58 4.7 16.7 1.0
NE1 A:TRP108 4.8 18.2 1.0
HG22 A:ILE58 4.8 19.4 1.0
CG1 A:ILE58 4.9 18.7 1.0
HD12 A:ILE98 4.9 22.3 1.0
HG23 A:ILE98 4.9 21.6 1.0
CG A:TRP63 4.9 18.3 1.0
HA A:ASN59 4.9 28.0 1.0
CG2 A:ILE98 4.9 21.6 1.0
CG1 A:ILE98 5.0 23.0 1.0

Reference:

P.Roedig, I.Vartiainen, R.Duman, S.Panneerselvam, N.Stube, O.Lorbeer, M.Warmer, G.Sutton, D.I.Stuart, E.Weckert, C.David, A.Wagner, A.Meents. A Micro-Patterned Silicon Chip As Sample Holder For Macromolecular Crystallography Experiments with Minimal Background Scattering. Sci Rep V. 5 10451 2015.
ISSN: ESSN 2045-2322
PubMed: 26022615
DOI: 10.1038/SREP10451
Page generated: Fri Jul 26 03:12:12 2024

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