Chlorine in PDB 6uio: Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)

Protein crystallography data

The structure of Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic), PDB code: 6uio was solved by M.J.Dominguez, G.A.Cornwall, A.Hewetson, R.B.Sutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.53 / 1.83
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.048, 85.924, 111.677, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 26.2

Other elements in 6uio:

The structure of Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic) also contains other interesting chemical elements:

Iodine (I) 26 atoms
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic) (pdb code 6uio). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic), PDB code: 6uio:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6uio

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Chlorine binding site 1 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl210

b:52.0
occ:1.00
H B:ILE71 2.2 43.2 0.5
H B:ILE71 2.2 43.2 0.5
O2 B:SO4206 2.8 49.0 1.0
HA B:LYS70 3.0 48.3 1.0
N B:ILE71 3.0 36.0 1.0
O3 B:SO4206 3.5 58.0 1.0
HB B:ILE71 3.6 37.4 1.0
S B:SO4206 3.7 50.0 1.0
CA B:LYS70 3.8 40.2 1.0
HD12 B:ILE71 3.8 47.8 1.0
HG13 B:ILE71 3.8 45.2 1.0
C B:LYS70 3.9 40.6 1.0
HB3 B:LYS70 3.9 57.0 1.0
HA3 D:GLY36 3.9 58.5 1.0
HD12 B:ILE40 4.1 83.4 1.0
CA B:ILE71 4.2 28.6 1.0
CB B:ILE71 4.2 31.1 1.0
O B:ILE71 4.3 34.5 1.0
CB B:LYS70 4.3 47.5 1.0
CG1 B:ILE71 4.3 37.7 1.0
HB2 B:LYS70 4.4 57.0 1.0
O B:HOH314 4.5 51.1 1.0
CD1 B:ILE71 4.5 39.8 1.0
O1 B:SO4206 4.6 59.9 1.0
HD11 B:ILE40 4.7 83.4 1.0
HG12 B:VAL68 4.7 40.4 1.0
C B:ILE71 4.7 31.3 1.0
O4 B:SO4206 4.8 62.4 1.0
CA D:GLY36 4.8 48.7 1.0
CD1 B:ILE40 4.8 69.5 1.0
HE3 B:LYS46 4.9 51.1 1.0
HA B:ILE71 4.9 34.4 1.0
O B:ASP69 4.9 37.0 1.0
HD11 B:ILE71 4.9 47.8 1.0
N B:LYS70 5.0 35.7 1.0
HA2 D:GLY36 5.0 58.5 1.0

Chlorine binding site 2 out of 8 in 6uio

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Chlorine binding site 2 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl211

b:44.0
occ:1.00
HH B:TYR56 1.9 44.2 1.0
OH B:TYR56 2.6 36.8 1.0
H A:GLU103 2.7 57.3 1.0
HE1 B:MET117 2.8 61.2 1.0
HE1 B:TYR56 3.1 43.8 1.0
O A:HOH333 3.2 39.8 1.0
HE3 B:MET117 3.2 61.2 1.0
HA A:THR102 3.2 62.6 1.0
HB2 A:GLU103 3.3 59.0 1.0
HB2 B:CYS139 3.3 48.5 1.0
CE B:MET117 3.4 51.0 1.0
N A:GLU103 3.4 47.7 1.0
CZ B:TYR56 3.5 36.5 1.0
CE1 B:TYR56 3.6 36.5 1.0
SD B:MET117 3.9 54.8 1.0
O A:ASN101 3.9 49.5 1.0
CB B:CYS139 4.0 40.4 1.0
HB3 B:CYS139 4.0 48.5 1.0
HG2 A:GLU103 4.0 60.6 1.0
CA A:THR102 4.1 52.2 1.0
CB A:GLU103 4.1 49.1 1.0
C A:THR102 4.2 47.9 1.0
SG B:CYS139 4.2 39.1 1.0
HE2 B:MET117 4.3 61.2 1.0
CA A:GLU103 4.3 47.3 1.0
O A:GLU103 4.3 41.2 1.0
CG A:GLU103 4.5 50.5 1.0
HG3 A:GLU103 4.5 60.6 1.0
HG22 A:THR102 4.5 61.1 1.0
HG23 A:THR102 4.7 61.1 1.0
C A:GLU103 4.7 38.5 1.0
C A:ASN101 4.7 50.8 1.0
N A:THR102 4.8 44.3 1.0
CE2 B:TYR56 4.8 34.4 1.0
HE2 B:LYS115 4.8 52.7 1.0
HB3 A:GLU103 4.9 59.0 1.0
CG2 A:THR102 4.9 50.9 1.0
CD1 B:TYR56 5.0 29.7 1.0
HE3 B:LYS115 5.0 52.7 1.0

Chlorine binding site 3 out of 8 in 6uio

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Chlorine binding site 3 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl212

b:38.9
occ:1.00
HD12 B:LEU126 3.4 62.1 1.0
HB2 B:GLU131 3.4 72.5 1.0
HB3 B:ASN129 3.6 61.2 1.0
HD22 B:ASN129 3.8 71.6 1.0
HG2 B:GLU131 3.9 73.0 1.0
OE2 B:GLU131 4.1 77.7 1.0
CD B:GLU131 4.2 71.4 1.0
CB B:GLU131 4.2 60.4 1.0
HB2 B:ASN129 4.2 61.2 1.0
CD1 B:LEU126 4.3 51.7 1.0
CG B:GLU131 4.3 60.9 1.0
CB B:ASN129 4.3 51.0 1.0
HD13 B:LEU126 4.3 62.1 1.0
HB3 B:GLU131 4.4 72.5 1.0
ND2 B:ASN129 4.5 59.7 1.0
HB2 B:LEU126 4.6 53.2 1.0
OE1 B:GLU131 4.7 74.1 1.0
HD11 B:LEU126 4.7 62.1 1.0
CG B:ASN129 4.9 55.5 1.0
O B:ASN129 4.9 62.5 1.0

Chlorine binding site 4 out of 8 in 6uio

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Chlorine binding site 4 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl211

b:43.2
occ:1.00
HD23 C:LEU122 3.3 56.1 1.0
HD22 C:LEU122 3.5 56.1 1.0
HD21 C:LEU122 3.7 56.1 1.0
CD2 C:LEU122 3.7 46.7 1.0
HB2 C:SER136 4.4 53.0 1.0
HB3 C:LEU135 4.8 48.6 1.0
HG C:SER136 5.0 65.1 1.0

Chlorine binding site 5 out of 8 in 6uio

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Chlorine binding site 5 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl212

b:32.9
occ:1.00
HD22 C:ASN129 3.2 39.5 1.0
HD12 C:LEU126 3.4 46.8 1.0
HB3 C:ASN129 3.5 36.8 1.0
HB2 C:GLU131 3.6 60.3 1.0
HB2 C:ASN129 3.7 36.8 1.0
HG2 C:GLU131 3.8 72.9 1.0
ND2 C:ASN129 3.9 32.9 1.0
HB3 C:GLU131 3.9 60.3 1.0
CB C:ASN129 4.0 30.6 1.0
CB C:GLU131 4.1 50.2 1.0
CD1 C:LEU126 4.3 39.0 1.0
HB2 C:LEU126 4.3 36.8 1.0
HD13 C:LEU126 4.3 46.8 1.0
CG C:ASN129 4.3 32.0 1.0
HD21 C:ASN129 4.4 39.5 1.0
CG C:GLU131 4.4 60.7 1.0
HD11 C:LEU126 4.8 46.8 1.0
CB C:LEU126 5.0 30.7 1.0

Chlorine binding site 6 out of 8 in 6uio

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Chlorine binding site 6 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl213

b:31.1
occ:1.00
HD22 C:ASN133 2.4 71.6 1.0
HH11 C:ARG81 2.5 35.6 1.0
HG3 C:GLU131 2.7 72.9 1.0
HD3 C:ARG81 3.1 56.3 1.0
HA C:ALA125 3.1 38.0 1.0
ND2 C:ASN133 3.1 59.7 1.0
NH1 C:ARG81 3.3 29.7 1.0
HG2 C:GLU131 3.4 72.9 1.0
HD21 C:ASN133 3.4 71.6 1.0
CG C:GLU131 3.5 60.7 1.0
HD2 C:ARG81 3.6 56.3 1.0
HH12 C:ARG81 3.6 35.6 1.0
HB2 C:ASN133 3.6 61.0 1.0
O C:GLY124 3.7 37.7 1.0
CA C:ALA125 3.8 31.6 1.0
CD C:ARG81 3.8 46.9 1.0
C C:GLY124 3.8 34.8 1.0
N C:ALA125 3.8 34.3 1.0
OE2 C:GLU131 4.0 73.6 1.0
HG C:LEU126 4.0 42.4 1.0
H C:LEU126 4.1 37.9 1.0
CD C:GLU131 4.1 70.6 1.0
CG C:ASN133 4.1 57.9 1.0
C C:ALA125 4.2 30.3 1.0
H C:ALA125 4.2 41.2 1.0
HB2 C:ARG81 4.3 40.0 1.0
HA C:PHE132 4.3 38.9 1.0
HA3 C:GLY124 4.3 36.3 1.0
CB C:ASN133 4.3 50.8 1.0
CZ C:ARG81 4.4 39.7 1.0
N C:LEU126 4.4 31.6 1.0
O C:GLU131 4.4 36.1 1.0
H C:ASN133 4.5 48.4 1.0
C C:GLU131 4.5 45.0 1.0
NE C:ARG81 4.5 43.7 1.0
N C:ASN133 4.6 40.4 1.0
CA C:GLY124 4.7 30.2 1.0
HB3 C:ARG81 4.7 40.0 1.0
CB C:GLU131 4.7 50.2 1.0
HB3 C:GLU131 4.7 60.3 1.0
C C:PHE132 4.8 39.8 1.0
N C:PHE132 4.8 39.8 1.0
O C:ALA125 4.8 31.6 1.0
CA C:PHE132 4.8 32.4 1.0
CB C:ARG81 4.8 33.3 1.0
CG C:ARG81 5.0 38.7 1.0
CG C:LEU126 5.0 35.3 1.0

Chlorine binding site 7 out of 8 in 6uio

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Chlorine binding site 7 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl213

b:46.6
occ:1.00
H D:LYS63 2.7 44.9 1.0
HB2 D:LYS63 3.0 42.0 1.0
HG3 D:LYS63 3.4 47.9 1.0
HD2 D:TYR64 3.5 44.8 1.0
N D:LYS63 3.6 37.4 1.0
OD1 D:ASP62 3.6 45.2 1.0
HA D:ASP62 3.8 53.0 1.0
CB D:LYS63 3.8 35.0 1.0
CG D:ASP62 3.9 46.0 1.0
HE2 D:TYR64 4.0 57.0 1.0
OD2 D:ASP62 4.0 45.6 1.0
CG D:LYS63 4.0 39.9 1.0
HD2 D:LYS63 4.1 54.1 1.0
CD2 D:TYR64 4.3 37.3 1.0
CA D:LYS63 4.3 35.3 1.0
H D:TYR64 4.4 42.6 1.0
CA D:ASP62 4.5 44.1 1.0
HH21 D:ARG92 4.5 60.1 1.0
HE D:ARG92 4.5 53.4 1.0
C D:ASP62 4.5 46.1 1.0
CE2 D:TYR64 4.5 47.5 1.0
HB3 D:LYS63 4.6 42.0 1.0
CD D:LYS63 4.6 45.1 1.0
HD22 D:LEU113 4.7 79.3 1.0
NH2 D:ARG92 4.8 50.0 1.0
NE D:ARG92 4.8 44.5 1.0
CB D:ASP62 4.8 41.5 1.0
HG2 D:LYS63 4.9 47.9 1.0
HD21 D:LEU113 4.9 79.3 1.0
CZ D:ARG92 5.0 49.1 1.0
N D:TYR64 5.0 35.5 1.0

Chlorine binding site 8 out of 8 in 6uio

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Chlorine binding site 8 out of 8 in the Crystal Structure of Mouse Cres (Cystatin-Related Epididymal Spermatogenic)


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 Mouse Cres (Cystatin-Related Epididymal Spermatogenic) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl214

b:58.1
occ:1.00
HH22 D:ARG81 2.3 50.3 0.7
NH2 D:ARG81 3.2 41.9 0.7
HH12 D:ARG81 3.2 28.9 0.7
HD21 D:LEU135 3.3 46.1 1.0
HD23 D:LEU135 3.3 46.1 1.0
HD22 D:LEU135 3.4 46.1 1.0
HH12 D:ARG81 3.5 47.2 0.3
CD2 D:LEU135 3.5 38.4 1.0
HB3 D:ASN133 3.5 36.4 1.0
HH21 D:ARG81 3.7 50.3 0.7
NH1 D:ARG81 3.8 24.1 0.7
CZ D:ARG81 3.9 30.1 0.7
HH11 D:ARG81 4.1 47.2 0.3
NH1 D:ARG81 4.1 39.3 0.3
HB2 D:ASN133 4.1 36.4 1.0
CB D:ASN133 4.2 30.3 1.0
O B:HOH317 4.5 47.8 1.0
HH11 D:ARG81 4.6 28.9 0.7
CG D:ASN133 4.6 46.0 1.0
HD22 D:ASN133 4.8 52.6 1.0
ND2 D:ASN133 4.9 43.8 1.0
HA D:LEU135 5.0 37.3 1.0

Reference:

A.Hewetson, N.H.Khan, M.J.Dominguez, H.Q.Do, R.E.Kusko, C.G.Borcik, D.J.Rigden, R.M.Keegan, R.B.Sutton, M.P.Latham, B.J.Wylie, G.A.Cornwall. Maturation of the Functional Mouse Cres Amyloid From Globular Form. Proc.Natl.Acad.Sci.Usa V. 117 16363 2020.
ISSN: ESSN 1091-6490
PubMed: 32601205
DOI: 10.1073/PNAS.2006887117
Page generated: Sat Dec 12 14:07:18 2020

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