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Chlorine in PDB 4aa8: Bovine Chymosin at 1.8A Resolution

Enzymatic activity of Bovine Chymosin at 1.8A Resolution

All present enzymatic activity of Bovine Chymosin at 1.8A Resolution:
3.4.23.4;

Protein crystallography data

The structure of Bovine Chymosin at 1.8A Resolution, PDB code: 4aa8 was solved by J.Langholm Jensen, A.Molgaard, J.C.Navarro Poulsen, J.M.Van Den Brink, M.Harboe, J.B.Simonsen, K.B.Qvist, S.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.55 / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 71.610, 79.170, 113.170, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Bovine Chymosin at 1.8A Resolution (pdb code 4aa8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Bovine Chymosin at 1.8A Resolution, PDB code: 4aa8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4aa8

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Chlorine binding site 1 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1324

b:21.6
occ:1.00
 N A:GLU118 3.2 18.6 1.0
O A:HOH2153 3.2 23.6 1.0
N A:GLN15 3.3 26.1 1.0
CB A:SER14 3.7 29.6 1.0
CE1 A:PHE119 3.7 20.7 1.0
CA A:ALA117 3.8 20.4 1.0
CA A:SER14 3.9 26.4 1.0
CD1 A:PHE119 3.9 13.4 1.0
CB A:GLN15 3.9 20.1 1.0
CG A:GLN15 4.0 25.6 1.0
C A:ALA117 4.0 20.7 1.0
CB A:ALA117 4.0 18.6 1.0
CB A:GLU118 4.1 25.4 1.0
C A:SER14 4.1 26.2 1.0
CG A:GLU118 4.1 29.6 1.0
CA A:GLN15 4.2 22.4 1.0
CA A:GLU118 4.2 22.8 1.0
O A:HOH2192 4.4 36.3 1.0
O A:HOH2042 4.6 37.2 1.0
OG A:SER14 4.7 28.2 1.0
N A:PHE119 4.7 17.9 1.0
O A:GLN15 4.7 18.3 1.0
O A:HOH2194 4.8 24.6 1.0
CZ A:PHE119 4.9 17.8 1.0
C A:GLN15 4.9 19.1 1.0
OH A:TYR77 4.9 32.2 1.0
O A:TYR116 5.0 25.4 1.0

Chlorine binding site 2 out of 8 in 4aa8

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Chlorine binding site 2 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1325

b:20.3
occ:1.00
 O A:HOH2243 3.0 21.3 1.0
N A:ILE171 3.2 19.0 1.0
O A:HOH2229 3.2 21.2 1.0
NE2 A:GLN150 3.2 23.9 1.0
CA A:ALA170 3.6 16.1 1.0
CB A:ALA170 3.7 15.0 1.0
O A:ILE171 3.7 19.2 1.0
O A:HOH2242 3.7 23.0 1.0
C A:ALA170 3.9 17.3 1.0
CA A:ILE171 4.1 16.4 1.0
CB A:ILE171 4.2 15.3 1.0
C A:ILE171 4.4 18.4 1.0
CD A:GLN150 4.5 22.1 1.0
CG1 A:ILE171 4.6 13.7 1.0
O A:GLY169 4.6 17.6 1.0
N A:ALA170 4.9 13.1 1.0

Chlorine binding site 3 out of 8 in 4aa8

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Chlorine binding site 3 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1326

b:23.9
occ:1.00
 O A:HOH2268 3.0 25.4 1.0
O A:HOH2203 3.0 20.8 1.0
O A:HOH2103 3.3 35.2 1.0
N A:SER129 3.4 12.8 1.0
CD A:PRO128 3.4 13.9 1.0
CB A:SER129 3.7 18.6 1.0
OG A:SER129 3.8 21.0 1.0
N A:PRO128 3.8 11.6 1.0
CB A:TYR127 3.9 13.9 1.0
CG A:PRO128 4.0 18.2 1.0
CB A:PRO128 4.0 18.1 1.0
CA A:SER129 4.1 19.3 1.0
O A:GLN188 4.1 16.0 1.0
C A:PRO128 4.2 18.2 1.0
CD2 A:TYR127 4.2 13.1 1.0
CA A:PRO128 4.3 13.5 1.0
C A:TYR127 4.5 14.0 1.0
CG A:TYR127 4.5 11.5 1.0
O A:HOH2367 4.7 29.6 1.0
CA A:TYR127 4.7 13.1 1.0
O A:HOH2269 4.8 32.3 1.0
O A:HOH2094 4.9 36.9 1.0

Chlorine binding site 4 out of 8 in 4aa8

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Chlorine binding site 4 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1327

b:28.1
occ:1.00
 O A:HOH2114 2.8 37.1 1.0
O A:HOH2230 3.1 34.0 1.0
N A:ASP151 3.1 11.7 1.0
O A:HOH2363 3.5 25.0 1.0
CB A:ALA313 3.7 19.1 1.0
CB A:ASP151 3.8 16.1 1.0
CA A:GLN150 3.9 15.2 1.0
C A:GLN150 4.0 15.6 1.0
CG A:ASP151 4.0 16.1 1.0
CA A:ASP151 4.0 14.5 1.0
CB A:GLN150 4.1 16.4 1.0
OD2 A:ASP151 4.2 19.9 1.0
O A:HOH2227 4.3 32.6 1.0
OD1 A:ASP151 4.4 15.8 1.0
CG A:GLN150 4.6 20.5 1.0
O A:HOH2228 4.8 32.6 1.0
C A:ASP151 4.8 13.3 1.0

Chlorine binding site 5 out of 8 in 4aa8

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Chlorine binding site 5 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1328

b:23.7
occ:0.50
 O A:HOH2260 2.9 32.4 1.0
ND2 A:ASN264 3.1 26.5 1.0
O A:HOH2339 3.1 36.6 1.0
OD1 A:ASN264 3.9 29.3 1.0
CG A:ASN264 3.9 25.0 1.0
CG A:PRO184 4.5 26.5 1.0
O A:TRP182 4.6 23.6 1.0
CD A:PRO184 4.8 22.5 1.0

Chlorine binding site 6 out of 8 in 4aa8

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Chlorine binding site 6 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1329

b:29.2
occ:1.00
 NE2 A:GLN212 3.3 20.1 1.0
CA A:CYS211 3.5 17.9 1.0
C A:CYS211 3.5 16.9 1.0
N A:CYS211 3.7 22.1 1.0
N A:GLN212 3.8 14.3 1.0
O A:GLY210 3.9 24.0 1.0
C A:GLY210 3.9 20.8 1.0
O A:HOH2295 3.9 36.4 1.0
O A:CYS211 4.0 16.2 1.0
CG A:GLN212 4.0 18.4 1.0
CD A:GLN212 4.2 17.1 1.0
CA A:GLN212 4.6 18.2 1.0
CG2 A:THR194 4.8 20.2 1.0
CA A:GLY210 4.8 22.9 1.0
CB A:GLN212 4.9 16.3 1.0
O A:HOH2296 5.0 23.1 1.0
OG1 A:THR194 5.0 19.7 1.0
CB A:CYS211 5.0 19.6 1.0

Chlorine binding site 7 out of 8 in 4aa8

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Chlorine binding site 7 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1330

b:30.2
occ:1.00
 O A:HOH2303 2.8 32.8 1.0
N A:SER227 3.3 24.2 1.0
OG A:SER227 3.4 32.0 1.0
NE2 A:GLN294 3.6 36.4 1.0
N A:SER226 3.7 20.0 1.0
CB A:SER227 3.8 29.7 1.0
CB A:PRO225 3.9 23.9 1.0
CB A:SER226 4.1 26.2 1.0
CA A:SER227 4.2 24.2 1.0
CA A:SER226 4.2 22.9 1.0
C A:PRO225 4.2 22.8 1.0
C A:SER226 4.3 21.5 1.0
OE1 A:GLN294 4.3 34.5 1.0
CD A:GLN294 4.4 34.5 1.0
CA A:PRO225 4.6 21.9 1.0
OG A:SER226 4.8 37.2 1.0
O A:PRO225 4.9 17.4 1.0

Chlorine binding site 8 out of 8 in 4aa8

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Chlorine binding site 8 out of 8 in the Bovine Chymosin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Bovine Chymosin at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1331

b:31.7
occ:1.00
 N A:SER273 3.3 23.5 1.0
CB A:SER273 3.5 29.1 1.0
CB A:THR271 3.8 24.9 1.0
CD A:PRO272 3.8 21.0 1.0
OG1 A:THR271 3.9 21.0 1.0
CA A:SER273 4.0 26.0 1.0
N A:PRO272 4.0 21.0 1.0
CB A:PRO272 4.1 21.7 1.0
CG A:PRO272 4.3 21.4 1.0
C A:PRO272 4.3 20.9 1.0
CA A:PRO272 4.4 20.9 1.0
C A:THR271 4.6 20.0 1.0
CG2 A:THR271 4.7 20.6 1.0
O A:LEU253 4.7 32.8 1.0
OG A:SER273 4.7 36.2 1.0
CA A:THR271 4.8 23.8 1.0
O A:HOH2343 4.8 31.7 1.0

Reference:

J.Langholm Jensen, A.Molgaard, J.C.Navarro Poulsen, M.K.Harboe, J.B.Simonsen, A.M.Lorentzen, K.Hjerno, J.M.Van Den Brink, K.B.Qvist, S.Larsen. Camel and Bovine Chymosin: the Relationship Between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D V. 69 901 2013.
ISSN: ISSN 0907-4449
PubMed: 23633601
DOI: 10.1107/S0907444913003260
Page generated: Sat Dec 12 10:23:11 2020

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