Chlorine in PDB 6qp4: Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis

The structure of Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis, PDB code: 6qp4 was solved by K.M.Mikula, R.Kolodziejczyk, A.Goldman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.639, 44.565, 128.436, 90.00, 92.07, 90.00
R / Rfree (%)	21.2 / 27.2

The structure of Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis (pdb code 6qp4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis, PDB code: 6qp4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of 299-452 Fragment of the 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 Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:35.1 occ:1.00 HD22 B:ASN347 2.3 35.1 1.0 HD22 A:ASN347 2.4 35.5 1.0 HD22 C:ASN347 2.4 39.5 1.0 HG13 A:VAL344 2.9 39.0 1.0 HG22 A:VAL344 3.0 35.4 1.0 ND2 B:ASN347 3.2 29.2 1.0 HG22 B:VAL344 3.2 35.0 1.0 ND2 A:ASN347 3.3 29.6 1.0 HG22 C:VAL344 3.3 35.8 1.0 HA A:VAL344 3.3 32.9 1.0 ND2 C:ASN347 3.3 32.9 1.0 HB2 A:ASN347 3.3 32.1 1.0 HG13 C:VAL344 3.3 25.0 1.0 HA C:VAL344 3.4 30.7 1.0 HA B:VAL344 3.4 28.0 1.0 HB2 C:ASN347 3.4 31.0 1.0 HB2 B:ASN347 3.4 35.7 1.0 HG13 B:VAL344 3.5 32.9 1.0 HB3 C:ASN347 3.6 31.0 1.0 HB3 A:ASN347 3.7 32.1 1.0 HD21 B:ASN347 3.7 35.1 1.0 CG1 A:VAL344 3.7 32.5 1.0 HB3 B:ASN347 3.7 35.7 1.0 HD21 A:ASN347 3.8 35.5 1.0 CB A:ASN347 3.8 26.8 1.0 HD21 C:ASN347 3.8 39.5 1.0 HG11 A:VAL344 3.9 39.0 1.0 CG2 A:VAL344 3.9 29.6 1.0 CB C:ASN347 3.9 25.8 1.0 CB B:ASN347 3.9 29.8 1.0 CG B:ASN347 4.0 25.2 1.0 CG A:ASN347 4.0 28.9 1.0 CB A:VAL344 4.1 33.6 1.0 CG C:ASN347 4.1 24.3 1.0 CA A:VAL344 4.1 27.5 1.0 CG2 B:VAL344 4.1 29.2 1.0 CG1 C:VAL344 4.1 20.8 1.0 CG2 C:VAL344 4.2 29.9 1.0 CA C:VAL344 4.2 25.6 1.0 HG21 A:VAL344 4.2 35.4 1.0 CA B:VAL344 4.3 23.4 1.0 CG1 B:VAL344 4.3 27.5 1.0 CB C:VAL344 4.4 25.5 1.0 HG11 C:VAL344 4.4 25.0 1.0 CB B:VAL344 4.4 28.8 1.0 HG12 A:VAL344 4.5 39.0 1.0 HG21 B:VAL344 4.5 35.0 1.0 HG23 A:VAL344 4.5 35.4 1.0 O C:VAL344 4.6 23.9 1.0 O A:VAL344 4.6 31.7 1.0 HG21 C:VAL344 4.6 35.8 1.0 HG11 B:VAL344 4.7 32.9 1.0 HG23 B:VAL344 4.7 35.0 1.0 HG23 C:VAL344 4.7 35.8 1.0 O B:VAL344 4.9 30.5 1.0 C A:VAL344 4.9 26.0 1.0 HG12 C:VAL344 4.9 25.0 1.0 C C:VAL344 4.9 25.7 1.0

Chlorine binding site 2 out of 4 in the Structure of 299-452 Fragment of the 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 Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:38.0 occ:1.00 HD22 C:ASN375 2.1 52.2 1.0 HD22 A:ASN375 2.1 52.1 1.0 HD22 B:ASN375 2.5 57.4 1.0 ND2 C:ASN375 2.9 43.6 1.0 ND2 A:ASN375 2.9 43.5 1.0 HG12 B:ILE372 3.1 57.9 1.0 HA C:ILE372 3.2 46.6 1.0 HG12 C:ILE372 3.2 52.9 1.0 HG12 A:ILE372 3.3 46.5 1.0 ND2 B:ASN375 3.3 47.9 1.0 HA A:ILE372 3.3 46.4 1.0 HB2 A:ASN375 3.4 45.9 1.0 HD21 C:ASN375 3.4 52.2 1.0 HA B:ILE372 3.4 59.5 1.0 HB2 C:ASN375 3.4 39.3 1.0 HD21 A:ASN375 3.4 52.1 1.0 HB2 B:ASN375 3.5 55.9 1.0 HG23 C:ILE372 3.6 53.5 1.0 HB3 A:ASN375 3.7 45.9 1.0 HB3 C:ASN375 3.7 39.3 1.0 HG23 A:ILE372 3.7 33.9 1.0 HD21 B:ASN375 3.8 57.4 1.0 CB A:ASN375 3.8 38.2 1.0 CG A:ASN375 3.8 36.4 1.0 CG C:ASN375 3.8 35.6 1.0 CB C:ASN375 3.8 32.8 1.0 HB3 B:ASN375 3.9 55.9 1.0 HG23 B:ILE372 3.9 57.9 1.0 CG1 B:ILE372 4.0 48.2 1.0 HG13 A:ILE372 4.0 46.5 1.0 CG1 A:ILE372 4.0 38.7 1.0 CB B:ASN375 4.0 46.6 1.0 CG1 C:ILE372 4.0 44.1 1.0 HG13 B:ILE372 4.1 57.9 1.0 CA C:ILE372 4.1 38.8 1.0 CG B:ASN375 4.1 49.4 1.0 CA A:ILE372 4.2 38.7 1.0 HG13 C:ILE372 4.3 52.9 1.0 CA B:ILE372 4.3 49.6 1.0 CG2 C:ILE372 4.3 44.6 1.0 CB C:ILE372 4.3 42.7 1.0 CB A:ILE372 4.4 32.9 1.0 CG2 A:ILE372 4.4 28.3 1.0 CB B:ILE372 4.5 50.0 1.0 O C:ILE372 4.5 44.9 1.0 CG2 B:ILE372 4.6 48.3 1.0 HG21 C:ILE372 4.6 53.5 1.0 HG21 A:ILE372 4.7 33.9 1.0 O A:ILE372 4.7 38.8 1.0 O B:ILE372 4.8 56.4 1.0 C C:ILE372 4.8 42.2 1.0 HG21 B:ILE372 4.8 57.9 1.0 OD1 A:ASN375 5.0 39.8 1.0 OD1 C:ASN375 5.0 33.3 1.0

Chlorine binding site 3 out of 4 in the Structure of 299-452 Fragment of the 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 Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:44.4 occ:1.00 HD22 A:ASN382 2.4 60.6 1.0 HD22 B:ASN382 2.4 65.1 1.0 HD22 C:ASN382 2.4 58.5 1.0 HG12 A:ILE379 3.1 52.4 1.0 ND2 A:ASN382 3.1 50.5 1.0 ND2 B:ASN382 3.2 54.2 1.0 HG12 B:ILE379 3.2 59.5 1.0 HA B:ILE379 3.2 56.3 1.0 HB2 B:ASN382 3.3 57.8 1.0 ND2 C:ASN382 3.3 48.8 1.0 HG12 C:ILE379 3.3 60.3 1.0 HB2 A:ASN382 3.3 51.1 1.0 HA A:ILE379 3.3 57.3 1.0 HA C:ILE379 3.5 47.8 1.0 HB2 C:ASN382 3.5 51.2 1.0 HB3 B:ASN382 3.6 57.8 1.0 HD21 A:ASN382 3.6 60.6 1.0 HB3 A:ASN382 3.7 51.1 1.0 HD21 B:ASN382 3.7 65.1 1.0 CB B:ASN382 3.8 48.2 1.0 HG23 C:ILE379 3.8 51.8 1.0 HB3 C:ASN382 3.8 51.2 1.0 HD21 C:ASN382 3.8 58.5 1.0 HG23 B:ILE379 3.8 47.0 1.0 CB A:ASN382 3.8 42.6 1.0 HG13 B:ILE379 3.8 59.5 1.0 HG23 A:ILE379 3.8 54.9 1.0 CG1 B:ILE379 3.9 49.6 1.0 CG A:ASN382 3.9 42.7 1.0 CG B:ASN382 3.9 51.4 1.0 CG1 A:ILE379 4.0 43.7 1.0 CB C:ASN382 4.0 42.7 1.0 HG13 A:ILE379 4.1 52.4 1.0 CG1 C:ILE379 4.1 50.3 1.0 CG C:ASN382 4.1 46.0 1.0 CA B:ILE379 4.1 46.9 1.0 HG13 C:ILE379 4.1 60.3 1.0 CA A:ILE379 4.3 47.8 1.0 CA C:ILE379 4.3 39.9 1.0 CB B:ILE379 4.4 42.3 1.0 CB A:ILE379 4.5 42.8 1.0 CG2 B:ILE379 4.5 39.2 1.0 CG2 C:ILE379 4.5 43.2 1.0 CG2 A:ILE379 4.5 45.8 1.0 CB C:ILE379 4.6 41.7 1.0 O B:ILE379 4.6 49.8 1.0 HG21 C:ILE379 4.8 51.8 1.0 O A:ILE379 4.8 47.3 1.0 HG21 A:ILE379 4.8 54.9 1.0 HG21 B:ILE379 4.8 47.0 1.0 C B:ILE379 4.9 50.2 1.0 O C:ILE379 4.9 46.0 1.0

Chlorine binding site 4 out of 4 in the Structure of 299-452 Fragment of the 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 Structure of 299-452 Fragment of the USPA1 Protein From Moraxella Catarrhalis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:56.0 occ:0.50 HD22 B:ASN414 2.2 0.5 1.0 HD22 C:ASN414 2.7 93.3 1.0 HG12 A:ILE411 2.8 0.4 1.0 HD22 A:ASN414 2.8 95.1 1.0 HG12 B:ILE411 2.9 0.0 1.0 ND2 B:ASN414 2.9 83.8 1.0 HG12 C:ILE411 3.1 0.8 1.0 HA B:ILE411 3.3 0.2 1.0 HD21 B:ASN414 3.4 0.5 1.0 HB2 B:ASN414 3.4 0.6 1.0 ND2 C:ASN414 3.4 77.7 1.0 HG23 A:ILE411 3.4 0.9 1.0 HG23 B:ILE411 3.5 0.5 1.0 HA C:ILE411 3.6 0.4 1.0 ND2 A:ASN414 3.6 79.3 1.0 HB3 B:ASN414 3.6 0.6 1.0 HB2 C:ASN414 3.6 0.1 1.0 CG1 B:ILE411 3.7 90.0 1.0 HB3 C:ASN414 3.7 0.1 1.0 CG B:ASN414 3.8 81.0 1.0 CG1 A:ILE411 3.8 95.3 1.0 CB B:ASN414 3.8 83.9 1.0 HG13 B:ILE411 3.8 0.0 1.0 HA A:ILE411 3.8 0.5 1.0 HB2 A:ASN414 3.9 0.6 1.0 HG21 A:ILE411 3.9 0.9 1.0 HG23 C:ILE411 3.9 0.6 1.0 HD21 C:ASN414 3.9 93.3 1.0 CG1 C:ILE411 4.0 89.0 1.0 CB C:ASN414 4.0 84.3 1.0 CG2 A:ILE411 4.0 91.6 1.0 HD21 A:ASN414 4.0 95.1 1.0 CG2 B:ILE411 4.1 92.1 1.0 HB3 A:ASN414 4.1 0.6 1.0 HG21 B:ILE411 4.2 0.5 1.0 CA B:ILE411 4.2 86.0 1.0 CG C:ASN414 4.2 82.1 1.0 HG13 A:ILE411 4.2 0.4 1.0 CB B:ILE411 4.2 86.5 1.0 HG13 C:ILE411 4.2 0.8 1.0 HD13 A:ILE411 4.3 0.5 1.0 CB A:ASN414 4.3 84.7 1.0 CB A:ILE411 4.4 89.9 1.0 CG A:ASN414 4.4 84.6 1.0 CA C:ILE411 4.5 87.0 1.0 CA A:ILE411 4.6 92.1 1.0 CD1 A:ILE411 4.6 93.0 1.0 CB C:ILE411 4.6 88.2 1.0 CG2 C:ILE411 4.6 91.3 1.0 O B:ASP410 4.7 97.6 1.0 O B:ILE411 4.8 87.0 1.0 HG21 C:ILE411 4.8 0.6 1.0 OD1 B:ASN414 4.9 82.9 1.0 CD1 B:ILE411 4.9 82.3 1.0 HG22 A:ILE411 4.9 0.9 1.0 HD13 B:ILE411 4.9 98.7 1.0 O C:ASP410 5.0 91.8 1.0 HD13 C:ILE411 5.0 0.6 1.0 HD11 A:ILE411 5.0 0.5 1.0

K.M.Mikula, R.Kolodziejczyk, A.Goldman. Structure of the USPA1 Protein Fragment From Moraxella Catarrhalis Responsible For C3D Binding. J.Struct.Biol. V. 208 77 2019.
ISSN: ESSN 1095-8657
PubMed: 31400508
DOI: 10.1016/J.JSB.2019.08.002