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Chlorine in PDB 2duq: Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form

Protein crystallography data

The structure of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form, PDB code: 2duq was solved by T.Satoh, N.P.Cowieson, R.Kato, S.Wakatsuki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 171.200, 45.000, 117.000, 90.00, 131.90, 90.00
R / Rfree (%) 20.6 / 24.5

Other elements in 2duq:

The structure of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form (pdb code 2duq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form, PDB code: 2duq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 2duq

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Chlorine binding site 1 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3

b:25.3
occ:1.00
 NH2 A:ARG56 3.1 27.5 1.0
N A:GLN65 3.2 29.0 1.0
O A:HOH340 3.3 23.9 1.0
N A:ILE61 3.4 23.5 1.0
NH1 A:ARG56 3.5 24.9 1.0
CA A:LEU60 3.6 22.7 1.0
CZ A:ARG56 3.7 29.4 1.0
O A:SER59 3.8 21.3 1.0
O A:ILE61 3.9 26.4 1.0
CA A:TYR64 3.9 27.4 1.0
CB A:GLN65 3.9 29.4 1.0
CD1 A:LEU60 4.0 23.6 1.0
C A:LEU60 4.0 23.1 1.0
C A:TYR64 4.1 28.2 1.0
CA A:GLN65 4.1 29.3 1.0
CD1 A:TRP75 4.2 21.2 1.0
NE1 A:TRP75 4.2 20.8 1.0
CD1 A:LEU74 4.3 25.0 1.0
CB A:TYR64 4.4 26.5 1.0
CB A:LEU60 4.4 22.8 1.0
CD2 A:TYR64 4.4 25.7 1.0
CG A:LEU60 4.5 23.3 1.0
N A:LEU60 4.5 21.9 1.0
C A:SER59 4.5 21.3 1.0
CA A:ILE61 4.5 25.3 1.0
C A:ILE61 4.6 25.9 1.0
CB A:LEU74 4.9 23.9 1.0
O A:GLN65 4.9 29.5 1.0
CG A:TYR64 4.9 26.3 1.0

Chlorine binding site 2 out of 13 in 2duq

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Chlorine binding site 2 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5

b:38.0
occ:1.00
 NE A:ARG209 3.1 31.2 1.0
N A:ASP210 3.2 31.0 1.0
OD2 A:ASP210 3.6 41.2 1.0
NH2 A:ARG209 3.7 30.6 1.0
CA A:ARG209 3.7 29.7 1.0
CZ A:ARG209 3.9 30.9 1.0
CE1 A:HIS211 3.9 28.1 1.0
CG A:ASP210 3.9 36.5 1.0
C A:ARG209 3.9 29.8 1.0
CB A:ASP210 4.0 33.2 1.0
CB A:ARG209 4.0 29.3 1.0
CD A:ARG209 4.1 29.7 1.0
ND1 A:HIS211 4.2 29.2 1.0
CA A:ASP210 4.2 32.1 1.0
O A:ASN208 4.5 29.7 1.0
O A:HOH524 4.6 39.6 1.0
CG A:ARG209 4.7 29.4 1.0
OD1 A:ASP210 4.7 41.6 1.0
NE2 A:HIS211 4.8 25.6 1.0
N A:ARG209 4.9 29.1 1.0

Chlorine binding site 3 out of 13 in 2duq

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Chlorine binding site 3 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl7

b:28.2
occ:1.00
 OG1 A:THR228 3.1 24.8 1.0
O A:HOH350 3.1 26.3 1.0
N A:LEU230 3.2 25.6 1.0
O A:HOH528 3.3 35.0 1.0
O A:THR228 3.6 21.4 1.0
C A:THR228 3.8 22.3 1.0
CB A:LEU230 3.9 27.0 1.0
CB A:THR228 3.9 22.4 1.0
CB A:LYS237 3.9 25.8 1.0
CD A:LYS237 3.9 30.4 1.0
CA A:ASP229 4.0 24.1 1.0
O A:HOH366 4.0 31.2 1.0
CA A:LEU230 4.0 27.4 1.0
CG A:LEU230 4.0 26.3 1.0
N A:ASP229 4.0 22.4 1.0
C A:ASP229 4.0 24.5 1.0
CG A:GLU231 4.1 33.1 1.0
N A:GLU231 4.1 30.6 1.0
CA A:THR228 4.5 22.0 1.0
CG A:LYS237 4.5 27.5 1.0
C A:LEU230 4.5 29.2 1.0
CD1 A:LEU230 4.5 27.0 1.0
CB A:GLU231 4.5 31.9 1.0
CE A:LYS237 5.0 34.6 1.0
O A:HOH459 5.0 40.1 1.0
CA A:GLU231 5.0 32.4 1.0

Chlorine binding site 4 out of 13 in 2duq

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Chlorine binding site 4 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9

b:29.7
occ:1.00
 ND2 A:ASN166 3.2 18.9 1.0
O A:HOH496 3.4 33.9 1.0
CA A:SER191 3.9 20.9 1.0
CB A:SER191 4.0 20.8 1.0
CB A:ASN166 4.0 21.4 1.0
CG A:ASN166 4.1 19.2 1.0
O A:HOH527 4.3 38.1 1.0
C3 A:MAN16 4.5 23.1 1.0
O A:SER191 4.5 20.4 1.0
O A:HOH526 4.6 27.5 1.0
O A:HOH410 4.6 27.0 1.0
O3 A:MAN16 4.6 23.2 1.0
O A:ASN166 4.6 21.5 1.0
C A:SER191 4.7 20.4 1.0
CA A:ASN166 4.8 20.8 1.0
N A:SER191 4.8 20.5 1.0
CD2 A:HIS190 4.9 20.9 1.0

Chlorine binding site 5 out of 13 in 2duq

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Chlorine binding site 5 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl12

b:28.1
occ:1.00
 O A:HOH378 3.0 28.6 1.0
O A:HOH475 3.3 29.5 1.0
NH1 A:ARG89 3.4 23.2 1.0
CD A:ARG89 3.8 21.2 1.0
CB A:PRO92 3.9 19.5 1.0
CD1 A:ILE82 4.1 22.1 1.0
CZ A:ARG89 4.4 23.9 1.0
CA A:PRO92 4.5 18.9 1.0
OD1 A:ASN265 4.5 20.7 1.0
NE A:ARG89 4.6 23.4 1.0
CG A:ARG89 5.0 18.2 1.0

Chlorine binding site 6 out of 13 in 2duq

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Chlorine binding site 6 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl13

b:23.6
occ:1.00
 OG1 A:THR197 3.0 21.7 1.0
O A:HOH394 3.1 20.6 1.0
N A:ASP189 3.2 20.4 1.0
C A:GLY194 3.4 20.0 1.0
CA A:GLY194 3.4 19.4 1.0
N A:TRP196 3.5 21.8 1.0
N A:THR197 3.5 21.0 1.0
O A:GLY194 3.5 19.4 1.0
CD1 A:TRP196 3.6 25.2 1.0
CB A:ASP189 3.6 20.1 1.0
CG2 A:THR197 3.6 21.0 1.0
CB A:THR197 3.8 21.9 1.0
O A:SER187 3.8 24.8 1.0
CB A:TRP196 3.8 22.9 1.0
CA A:ASP189 3.9 20.1 1.0
N A:ARG195 3.9 20.5 1.0
CA A:TRP196 4.0 22.0 1.0
CG A:TRP196 4.0 24.7 1.0
C A:TRP196 4.1 21.9 1.0
C A:TYR188 4.1 20.7 1.0
CA A:TYR188 4.1 21.7 1.0
CA A:THR197 4.3 21.7 1.0
N A:GLY194 4.4 19.0 1.0
C A:ARG195 4.5 21.5 1.0
O A:HOH322 4.6 23.0 1.0
O A:ASP189 4.6 20.0 1.0
NE1 A:TRP196 4.6 25.1 1.0
C A:ASP189 4.7 20.2 1.0
CA A:ARG195 4.8 22.5 1.0
C A:SER187 4.8 24.4 1.0
CD1 A:TYR188 4.9 19.3 1.0
N A:TYR188 5.0 22.7 1.0

Chlorine binding site 7 out of 13 in 2duq

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Chlorine binding site 7 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl15

b:36.6
occ:1.00
 O A:HOH380 3.2 27.1 1.0
O A:HOH334 3.3 31.9 1.0
NH1 A:ARG207 3.6 28.2 1.0
NE2 A:HIS129 3.7 30.1 1.0
CD A:ARG207 3.7 26.5 1.0
CE1 A:HIS129 3.9 28.3 1.0
CD A:PRO175 3.9 22.9 1.0
CB A:ARG207 4.0 25.9 1.0
CG A:PRO175 4.2 22.5 1.0
CG A:ARG207 4.3 25.8 1.0
CZ A:ARG207 4.5 27.3 1.0
NE A:ARG207 4.6 26.0 1.0
O A:HOH368 4.8 30.3 1.0
CD2 A:HIS129 4.8 27.1 1.0
O A:PHE174 5.0 25.6 1.0
OD1 A:ASP205 5.0 30.5 1.0
ND1 A:HIS129 5.0 28.2 1.0

Chlorine binding site 8 out of 13 in 2duq

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Chlorine binding site 8 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4

b:25.5
occ:1.00
 NH2 B:ARG56 3.2 23.9 1.0
O B:HOH456 3.4 34.2 1.0
NH1 B:ARG56 3.4 23.7 1.0
N B:GLY66 3.6 30.4 1.0
CA B:TYR64 3.7 27.2 1.0
N B:ILE61 3.7 24.1 1.0
O B:ILE61 3.7 26.5 1.0
CZ B:ARG56 3.8 27.5 1.0
CA B:GLY66 3.9 30.6 1.0
C B:TYR64 4.0 28.6 1.0
O B:SER59 4.0 21.6 1.0
CA B:LEU60 4.0 22.9 1.0
CD1 B:TRP75 4.0 21.1 1.0
CD1 B:LEU60 4.1 21.7 1.0
N B:GLN65 4.1 29.1 1.0
C B:LEU60 4.4 23.8 1.0
NE1 B:TRP75 4.4 20.2 1.0
O B:HOH348 4.4 37.3 1.0
N B:TYR64 4.5 27.7 1.0
CB B:TYR64 4.6 26.5 1.0
CD1 B:LEU74 4.6 24.4 1.0
O B:TYR64 4.6 28.3 1.0
C B:ILE61 4.6 26.4 1.0
CA B:ILE61 4.7 26.3 1.0
O B:GLY66 4.7 30.9 1.0
C B:GLN65 4.7 30.6 1.0
C B:GLY66 4.8 31.1 1.0
CD2 B:TYR64 4.8 23.1 1.0
C B:SER59 4.8 22.3 1.0
CB B:LEU60 4.9 22.3 1.0
CB B:LEU74 4.9 21.9 1.0
CG B:LEU60 4.9 22.4 1.0
N B:LEU60 4.9 22.4 1.0

Chlorine binding site 9 out of 13 in 2duq

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Chlorine binding site 9 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl6

b:37.2
occ:1.00
 NE B:ARG209 3.2 31.4 1.0
N B:ASP210 3.2 33.0 1.0
OD2 B:ASP210 3.4 42.5 1.0
CB B:ASP210 3.7 35.1 1.0
CE1 B:HIS211 3.8 29.8 1.0
NH2 B:ARG209 3.8 30.9 1.0
CG B:ASP210 3.8 38.6 1.0
CA B:ARG209 3.8 30.4 1.0
CZ B:ARG209 3.9 32.1 1.0
C B:ARG209 4.0 31.3 1.0
CD B:ARG209 4.1 30.5 1.0
CA B:ASP210 4.1 34.1 1.0
CB B:ARG209 4.2 29.9 1.0
ND1 B:HIS211 4.2 30.4 1.0
NE2 B:HIS211 4.6 31.1 1.0
O B:ASN208 4.6 29.1 1.0
OD1 B:ASP210 4.7 43.8 1.0
CG B:ARG209 4.7 30.1 1.0
O B:HOH399 5.0 47.4 1.0

Chlorine binding site 10 out of 13 in 2duq

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Chlorine binding site 10 out of 13 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form


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 VIP36 Exoplasmic/Lumenal Domain, CA2+/Man-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl8

b:39.1
occ:1.00
 O B:HOH326 3.3 28.1 1.0
N B:MET72 3.3 32.8 1.0
N B:SER70 3.3 39.4 1.0
CB B:MET72 3.4 31.8 1.0
CA B:GLY68 3.5 35.9 1.0
CB B:SER70 3.6 39.3 1.0
C B:GLY68 3.6 37.1 1.0
O B:MET72 3.6 28.8 1.0
CA B:SER70 3.7 38.8 1.0
C B:SER70 3.7 37.9 1.0
N B:SER71 3.7 36.6 1.0
CA B:MET72 3.8 31.4 1.0
N B:GLY68 3.8 34.6 1.0
N B:SER69 3.9 38.5 1.0
CG B:MET72 4.1 33.9 1.0
O B:GLY68 4.1 36.9 1.0
C B:MET72 4.1 29.3 1.0
O B:SER70 4.3 37.5 1.0
C B:SER71 4.4 34.3 1.0
C B:SER69 4.4 40.0 1.0
NE2 B:GLN105 4.5 41.4 1.0
CA B:SER71 4.6 35.8 1.0
CA B:SER69 4.7 39.5 1.0
OG B:SER70 4.8 41.2 1.0
OG B:SER69 4.9 40.9 1.0

Reference:

T.Satoh, N.P.Cowieson, W.Hakamata, H.Ideo, K.Fukushima, M.Kurihara, R.Kato, K.Yamashita, S.Wakatsuki. Structural Basis For Recognition of High Mannose Type Glycoproteins By Mammalian Transport Lectin VIP36 J.Biol.Chem. V. 282 28246 2007.
ISSN: ISSN 0021-9258
PubMed: 17652092
DOI: 10.1074/JBC.M703064200
Page generated: Sat Jul 20 06:37:40 2024

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