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Chlorine in PDB 4lin: Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography

Protein crystallography data

The structure of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography, PDB code: 4lin was solved by A.Bhardwaj, G.Cingolani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.99 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 38.689, 147.929, 151.011, 87.94, 90.05, 89.95
R / Rfree (%) 22.9 / 26.8

Other elements in 4lin:

The structure of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography (pdb code 4lin). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography, PDB code: 4lin:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4lin

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Chlorine binding site 1 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1302

b:50.5
occ:1.00
 ND2 A:ASN1150 2.4 43.3 1.0
ND2 B:ASN1150 3.0 51.2 1.0
ND2 C:ASN1150 3.1 48.6 1.0
CG A:ASN1150 3.3 43.4 1.0
CB A:ASN1150 3.4 42.8 1.0
CD1 A:ILE1147 3.5 47.2 1.0
CB B:ASN1150 3.6 46.8 1.0
CG B:ASN1150 3.7 48.3 1.0
CB C:ASN1150 3.9 73.2 1.0
CG C:ASN1150 4.0 81.7 1.0
CA C:ILE1147 4.2 47.6 1.0
CG1 C:ILE1147 4.2 50.1 1.0
CG1 B:ILE1147 4.3 36.2 1.0
OD1 A:ASN1150 4.4 74.4 1.0
CA A:ILE1147 4.5 61.4 1.0
CB C:ILE1147 4.6 50.6 1.0
CA B:ILE1147 4.6 37.8 1.0
CG2 C:ILE1147 4.6 54.5 1.0
O C:ILE1147 4.8 53.3 1.0
CB B:ILE1147 4.8 61.4 1.0
CG1 A:ILE1147 4.8 48.7 1.0
CG2 B:ILE1147 4.8 62.5 1.0
OD1 B:ASN1150 4.8 46.0 1.0
CG2 A:ILE1147 4.9 54.5 1.0
CA A:ASN1150 5.0 57.5 1.0

Chlorine binding site 2 out of 8 in 4lin

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Chlorine binding site 2 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1303

b:60.2
occ:1.00
 ND2 B:ASN1094 2.6 50.0 1.0
ND2 A:ASN1094 2.9 42.2 1.0
ND2 C:ASN1094 2.9 46.3 1.0
CG2 A:ILE1091 3.2 60.2 1.0
CB B:ASN1094 3.3 47.8 1.0
CG B:ASN1094 3.4 51.4 1.0
CB C:ASN1094 3.4 50.7 1.0
CB A:ASN1094 3.4 33.3 1.0
CG C:ASN1094 3.6 55.3 1.0
CG A:ASN1094 3.6 43.2 1.0
CA A:ILE1091 4.0 59.2 1.0
CB A:ILE1091 4.0 52.5 1.0
CG1 C:ILE1091 4.4 64.9 1.0
CG1 A:ILE1091 4.4 48.9 1.0
CG2 C:ILE1091 4.5 68.1 1.0
CA C:ILE1091 4.5 64.8 1.0
CG1 B:ILE1091 4.5 68.3 1.0
OD1 B:ASN1094 4.5 55.6 1.0
O A:ILE1091 4.6 69.6 1.0
CB C:ILE1091 4.7 64.8 1.0
OD1 C:ASN1094 4.7 58.1 1.0
CG2 B:ILE1091 4.7 67.7 1.0
CA B:ILE1091 4.7 68.5 1.0
CA B:ASN1094 4.8 51.2 1.0
OD1 A:ASN1094 4.8 40.2 1.0
C A:ILE1091 4.8 65.4 1.0
N A:ILE1091 4.9 35.9 1.0
CB B:ILE1091 4.9 67.4 1.0
CA A:ASN1094 4.9 38.6 1.0
CA C:ASN1094 4.9 52.0 1.0
O B:ILE1091 5.0 81.2 1.0

Chlorine binding site 3 out of 8 in 4lin

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Chlorine binding site 3 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1301

b:58.7
occ:1.00
 ND2 D:ASN1150 2.9 70.8 1.0
ND2 E:ASN1150 3.0 81.0 1.0
CB E:ASN1150 3.2 76.2 1.0
CD1 D:ILE1147 3.3 90.4 1.0
CB D:ASN1150 3.3 72.3 1.0
ND2 F:ASN1150 3.4 50.0 1.0
CG E:ASN1150 3.6 78.7 1.0
CG D:ASN1150 3.6 72.5 1.0
CB F:ASN1150 3.8 39.6 1.0
CG F:ASN1150 4.1 44.9 1.0
CG2 E:ILE1147 4.2 64.8 1.0
CG2 F:ILE1147 4.4 54.0 1.0
CG1 E:ILE1147 4.4 63.0 1.0
CB F:ILE1147 4.5 52.9 1.0
CA E:ILE1147 4.6 78.3 1.0
CB E:ILE1147 4.6 63.6 1.0
O E:ILE1147 4.6 88.8 1.0
CA E:ASN1150 4.7 75.1 1.0
CG1 D:ILE1147 4.7 90.3 1.0
OD1 E:ASN1150 4.7 79.1 1.0
OD1 D:ASN1150 4.8 74.2 1.0
CA D:ASN1150 4.8 85.4 1.0
CA F:ILE1147 4.8 49.8 1.0
C E:ASN1150 5.0 69.3 1.0

Chlorine binding site 4 out of 8 in 4lin

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Chlorine binding site 4 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1302

b:61.6
occ:1.00
 ND2 D:ASN1094 2.9 62.1 1.0
ND2 E:ASN1094 3.4 67.9 1.0
CB E:ASN1094 3.5 72.4 1.0
CG D:ASN1094 3.6 75.9 1.0
CB D:ASN1094 3.6 70.3 1.0
CD1 D:ILE1091 3.7 81.2 1.0
ND2 F:ASN1094 3.7 43.1 1.0
CG E:ASN1094 3.9 70.7 1.0
CB F:ILE1091 4.0 52.2 1.0
CG2 F:ILE1091 4.0 44.7 1.0
CG1 E:ILE1091 4.2 77.5 1.0
CB F:ASN1094 4.2 64.6 1.0
CA E:ILE1091 4.3 56.9 1.0
CG F:ASN1094 4.4 42.0 1.0
CG2 E:ILE1091 4.4 58.3 1.0
CA F:ILE1091 4.5 56.0 1.0
CB E:ILE1091 4.5 47.2 1.0
O E:ILE1091 4.5 56.6 1.0
OD1 D:ASN1094 4.6 78.6 1.0
O D:ARG1090 4.7 83.9 1.0
CG2 D:ILE1091 4.8 73.8 1.0
CG1 D:ILE1091 4.8 78.0 1.0
CA D:ILE1091 4.9 73.5 1.0
CA E:ASN1094 4.9 73.9 1.0
O E:ARG1090 4.9 78.0 1.0
C E:ILE1091 4.9 56.7 1.0

Chlorine binding site 5 out of 8 in 4lin

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Chlorine binding site 5 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1301

b:38.5
occ:1.00
 ND2 I:ASN1094 2.5 49.4 1.0
ND2 H:ASN1094 2.6 37.5 1.0
CB G:ASN1094 3.3 38.7 1.0
CB H:ASN1094 3.3 48.1 1.0
ND2 G:ASN1094 3.3 58.0 1.0
CG I:ASN1094 3.3 64.5 1.0
CB I:ASN1094 3.4 66.3 1.0
CG H:ASN1094 3.4 42.6 1.0
CG G:ASN1094 3.8 54.6 1.0
CD1 H:ILE1091 4.2 32.9 1.0
O G:ILE1091 4.5 60.6 1.0
CA G:ILE1091 4.5 50.0 1.0
OD1 I:ASN1094 4.5 61.4 1.0
OD1 H:ASN1094 4.6 47.6 1.0
CA G:ASN1094 4.7 38.1 1.0
CG1 G:ILE1091 4.7 45.9 1.0
CA H:ASN1094 4.8 51.9 1.0
CG1 I:ILE1091 4.8 64.1 1.0
CA I:ASN1094 4.9 68.0 1.0
CG2 G:ILE1091 4.9 53.6 1.0
CA I:ILE1091 4.9 59.6 1.0
CB G:ILE1091 4.9 51.6 1.0
OD1 G:ASN1094 5.0 52.0 1.0
C G:ASN1094 5.0 39.2 1.0
OG1 G:THR1095 5.0 47.8 1.0
C G:ILE1091 5.0 52.0 1.0

Chlorine binding site 6 out of 8 in 4lin

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Chlorine binding site 6 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1301

b:0.9
occ:1.00
 ND2 I:ASN1150 2.6 24.6 1.0
ND2 H:ASN1150 2.8 46.6 1.0
CB I:ASN1150 3.2 29.9 1.0
CB G:ASN1150 3.2 34.5 1.0
CB H:ASN1150 3.2 48.5 1.0
CG I:ASN1150 3.3 34.0 1.0
CG H:ASN1150 3.5 46.0 1.0
CD1 I:ILE1147 3.5 0.8 1.0
ND2 G:ASN1150 3.6 41.7 1.0
CG G:ASN1150 3.9 39.6 1.0
CD1 G:ILE1154 4.0 53.2 1.0
CD1 I:ILE1154 4.1 40.6 1.0
C G:ASN1150 4.3 66.4 1.0
CA G:ASN1150 4.3 33.9 1.0
CA I:ASN1150 4.4 34.0 1.0
N G:THR1151 4.4 59.0 1.0
OD1 I:ASN1150 4.5 35.8 1.0
CA H:ASN1150 4.5 55.9 1.0
C I:ASN1150 4.5 36.6 1.0
O G:ASN1150 4.6 73.0 1.0
CG1 I:ILE1147 4.6 0.1 1.0
OD1 H:ASN1150 4.6 46.9 1.0
O I:ASN1150 4.7 35.5 1.0
OG1 G:THR1151 4.8 46.8 1.0
C H:ASN1150 4.8 41.4 1.0
O G:ILE1147 4.9 79.5 1.0
CG1 G:ILE1154 4.9 49.1 1.0
O H:ASN1150 4.9 41.2 1.0
CG1 I:ILE1154 4.9 40.9 1.0
N I:THR1151 5.0 42.7 1.0

Chlorine binding site 7 out of 8 in 4lin

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Chlorine binding site 7 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl1301

b:52.1
occ:1.00
 ND2 K:ASN1094 2.6 51.4 1.0
ND2 J:ASN1094 3.0 54.1 1.0
CG K:ASN1094 3.5 51.4 1.0
CB K:ASN1094 3.6 47.8 1.0
CG1 L:ILE1091 3.7 53.1 1.0
ND2 L:ASN1094 3.8 45.7 1.0
CB J:ASN1094 3.8 57.3 1.0
CG J:ASN1094 3.9 54.9 1.0
CB L:ASN1094 4.0 44.9 1.0
CG1 J:ILE1091 4.0 68.7 1.0
CA K:ILE1091 4.1 37.0 1.0
CA L:ILE1091 4.3 49.8 1.0
CG2 L:ILE1091 4.3 48.7 1.0
CB L:ILE1091 4.3 49.8 1.0
CG1 K:ILE1091 4.4 52.7 1.0
CG2 J:ILE1091 4.4 59.4 1.0
CD1 L:ILE1091 4.4 42.0 1.0
O K:ARG1090 4.4 46.9 1.0
CG L:ASN1094 4.4 43.7 1.0
CG2 K:ILE1091 4.4 36.0 1.0
CB K:ILE1091 4.5 54.9 1.0
O L:ARG1090 4.5 70.6 1.0
CB J:ILE1091 4.6 63.8 1.0
OD1 K:ASN1094 4.6 58.7 1.0
O L:ILE1091 4.7 62.8 1.0
CA J:ILE1091 4.7 58.3 1.0
O K:ILE1091 4.7 0.3 1.0
CD1 J:ILE1091 4.9 71.0 1.0
N K:ILE1091 4.9 44.3 1.0
C K:ILE1091 4.9 37.4 1.0
C L:ILE1091 5.0 55.9 1.0

Chlorine binding site 8 out of 8 in 4lin

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Chlorine binding site 8 out of 8 in the Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl1301

b:49.5
occ:1.00
 ND2 J:ASN1150 2.4 50.8 1.0
ND2 L:ASN1150 2.4 50.2 1.0
CG L:ASN1150 3.4 50.7 1.0
CG1 K:ILE1147 3.4 48.4 1.0
CG J:ASN1150 3.5 53.3 1.0
CB L:ASN1150 3.5 37.8 1.0
CD1 L:ILE1147 3.6 55.0 1.0
CB J:ASN1150 3.9 50.6 1.0
CB K:ASN1150 3.9 46.6 1.0
CG2 L:ILE1147 4.0 50.8 1.0
ND2 K:ASN1150 4.0 53.7 1.0
CA L:ILE1147 4.2 55.6 1.0
CB K:ILE1147 4.2 48.1 1.0
CA K:ILE1147 4.3 51.1 1.0
CG2 J:ILE1147 4.3 52.9 1.0
CG K:ASN1150 4.4 50.7 1.0
OD1 L:ASN1150 4.5 52.5 1.0
CD1 J:ILE1147 4.5 53.4 1.0
CB L:ILE1147 4.5 55.5 1.0
O L:ILE1147 4.5 0.9 1.0
CD1 K:ILE1147 4.6 49.0 1.0
OD1 J:ASN1150 4.6 57.6 1.0
CG1 L:ILE1147 4.7 57.2 1.0
CA J:ILE1147 4.7 42.4 1.0
O K:ILE1147 4.7 62.8 1.0
O L:ARG1146 4.8 73.5 1.0
C L:ILE1147 4.9 39.3 1.0
CB J:ILE1147 5.0 48.3 1.0
O J:ARG1146 5.0 34.0 1.0

Reference:

A.Bhardwaj, S.R.Casjens, G.Cingolani. Exploring the Atomic Structure and Conformational Flexibility of A 320 Angstrom Long Engineered Viral Fiber Using X-Ray Crystallography. Acta Crystallogr.,Sect.D V. 70 342 2014.
ISSN: ISSN 0907-4449
PubMed: 24531468
DOI: 10.1107/S1399004713027685
Page generated: Sun Jul 21 18:58:36 2024

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