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Chlorine in PDB 2qih: Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis

Protein crystallography data

The structure of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis, PDB code: 2qih was solved by R.Conners, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 223.61 / 1.90
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 37.234, 37.234, 224.475, 90.00, 90.00, 120.00
R / Rfree (%) 19.4 / 25.3

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis (pdb code 2qih). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis, PDB code: 2qih:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 2qih

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Chlorine binding site 1 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


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 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:19.6
occ:0.33
ND2 A:ASN566 3.1 14.2 1.0
CG1 A:ILE563 3.9 14.7 1.0
CB A:ASN566 3.9 16.1 1.0
CG A:ASN566 4.0 15.0 1.0
CA A:ILE563 4.0 16.4 1.0
CB A:ILE563 4.3 16.6 1.0
CG2 A:ILE563 4.4 16.6 1.0
O A:ILE563 4.8 17.3 1.0
N A:ILE563 4.8 14.7 1.0
O A:GLY562 4.8 16.5 1.0
C A:ILE563 5.0 16.9 1.0

Chlorine binding site 2 out of 16 in 2qih

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Chlorine binding site 2 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


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 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:22.2
occ:0.33
ND2 A:ASN601 3.1 20.6 1.0
CB A:ASN601 3.7 19.9 1.0
CG A:ASN601 3.9 21.8 1.0
CA A:VAL598 4.0 18.8 1.0
CG2 A:VAL598 4.1 19.1 1.0
O A:GLY597 4.5 21.2 1.0
CB A:VAL598 4.5 18.4 1.0
N A:VAL598 4.6 20.5 1.0
O A:VAL598 4.7 18.4 1.0
C A:GLY597 4.9 20.8 1.0
CG1 A:VAL598 4.9 16.6 1.0
C A:VAL598 4.9 19.8 1.0

Chlorine binding site 3 out of 16 in 2qih

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Chlorine binding site 3 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


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 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:22.4
occ:0.33
ND2 A:ASN615 3.1 17.0 1.0
CB A:ASN615 3.9 18.3 1.0
CG A:ASN615 4.0 17.3 1.0
CG1 A:ILE612 4.2 18.2 1.0
CA A:ILE612 4.4 17.1 1.0
CB A:ILE612 4.6 16.9 1.0
CG2 A:ILE612 4.8 17.9 1.0

Chlorine binding site 4 out of 16 in 2qih

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Chlorine binding site 4 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


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 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:23.7
occ:0.33
ND2 A:ASN643 3.0 15.3 1.0
CB A:ASN643 3.7 20.1 1.0
CB A:SER640 3.8 22.1 1.0
CA A:SER640 3.8 22.6 1.0
CG A:ASN643 3.9 18.8 1.0
O A:SER640 4.4 24.2 1.0
C A:SER640 4.6 23.0 1.0
N A:SER640 4.8 20.2 1.0

Chlorine binding site 5 out of 16 in 2qih

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Chlorine binding site 5 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:19.8
occ:0.33
ND2 A:ASN608 3.1 16.6 1.0
CB A:ASN608 3.8 18.2 1.0
CG A:ASN608 3.9 17.5 1.0
CG1 A:ILE605 4.0 19.0 1.0
CA A:ILE605 4.1 19.0 1.0
CB A:ILE605 4.4 18.8 1.0
CG2 A:ILE605 4.4 20.1 1.0
O A:ILE605 4.8 19.1 1.0
N A:ILE605 4.9 18.7 1.0
C A:ILE605 5.0 19.5 1.0

Chlorine binding site 6 out of 16 in 2qih

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Chlorine binding site 6 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1011

b:21.9
occ:0.33
ND2 A:ASN559 3.2 17.7 1.0
CA A:ALA556 3.6 19.4 1.0
CB A:ALA556 3.7 18.4 1.0
CB A:ASN559 3.8 18.0 1.0
CG A:ASN559 4.0 20.2 1.0
N A:ALA556 4.4 18.5 1.0
O A:ALA556 4.5 20.3 1.0
C A:ALA556 4.6 20.1 1.0
O A:GLN555 4.8 17.6 1.0
C A:GLN555 4.9 18.6 1.0

Chlorine binding site 7 out of 16 in 2qih

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Chlorine binding site 7 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1012

b:15.0
occ:0.33
ND2 A:ASN545 3.2 14.1 1.0
CB A:ASN545 3.8 15.2 1.0
CG1 A:ILE542 3.8 13.6 1.0
CA A:ILE542 4.0 14.7 1.0
CG A:ASN545 4.0 14.8 1.0
CB A:ILE542 4.2 14.2 1.0
CG2 A:ILE542 4.4 14.6 1.0
O A:ILE542 4.7 15.4 1.0
N A:ILE542 4.8 13.6 1.0
C A:ILE542 4.9 14.2 1.0
O A:GLY541 4.9 14.9 1.0

Chlorine binding site 8 out of 16 in 2qih

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Chlorine binding site 8 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1013

b:19.9
occ:0.33
ND2 A:ASN594 3.2 17.2 1.0
CB A:ASN594 3.8 21.0 1.0
CG A:ASN594 4.0 21.7 1.0
CG2 A:VAL591 4.0 19.9 1.0
CA A:VAL591 4.2 20.9 1.0
CG1 A:VAL591 4.2 21.8 1.0
CB A:VAL591 4.3 21.3 1.0
O A:VAL591 4.8 21.1 1.0

Chlorine binding site 9 out of 16 in 2qih

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Chlorine binding site 9 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1008

b:18.4
occ:0.33
ND2 B:ASN559 3.1 19.5 1.0
CA B:ALA556 3.6 20.5 1.0
CB B:ALA556 3.8 19.2 1.0
CB B:ASN559 3.8 19.1 1.0
CG B:ASN559 4.0 20.6 1.0
N B:ALA556 4.4 19.9 1.0
O B:ALA556 4.5 21.4 1.0
C B:ALA556 4.6 21.1 1.0
O B:GLN555 4.7 20.9 1.0
C B:GLN555 4.9 18.9 1.0

Chlorine binding site 10 out of 16 in 2qih

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Chlorine binding site 10 out of 16 in the Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of 527-665 Fragment of USPA1 Protein From Moraxella Catarrhalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1014

b:19.7
occ:0.33
ND2 B:ASN601 3.1 15.8 1.0
CB B:ASN601 3.8 20.2 1.0
CG2 B:VAL598 3.9 21.1 1.0
CG B:ASN601 3.9 19.7 1.0
CA B:VAL598 4.0 22.6 1.0
CB B:VAL598 4.4 22.2 1.0
O B:GLY597 4.6 22.6 1.0
O B:VAL598 4.7 22.7 1.0
CG1 B:VAL598 4.7 23.1 1.0
N B:VAL598 4.7 22.1 1.0
C B:VAL598 4.9 23.1 1.0
C B:GLY597 4.9 22.4 1.0

Reference:

R.Conners, D.J.Hill, E.Borodina, C.Agnew, S.J.Daniell, N.M.Burton, R.B.Sessions, A.R.Clarke, L.E.Catto, D.Lammie, T.Wess, R.L.Brady, M.Virji. The Moraxella Adhesin USPA1 Binds to Its Human CEACAM1 Receptor By A Deformable Trimeric Coiled-Coil. Embo J. V. 27 1779 2008.
ISSN: ISSN 0261-4189
PubMed: 18497748
DOI: 10.1038/EMBOJ.2008.101
Page generated: Sat Dec 12 09:17:12 2020

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