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Chlorine in PDB 4n4p: Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I

Enzymatic activity of Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I

All present enzymatic activity of Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I:
4.1.3.3;

Protein crystallography data

The structure of Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I, PDB code: 4n4p was solved by F.Georgescauld, K.Popova, A.J.Gupta, A.Bracher, J.R.Engen, M.Hayer-Hartl, F.U.Hartl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.986, 136.350, 157.248, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I (pdb code 4n4p). 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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I, PDB code: 4n4p:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4n4p

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Chlorine binding site 1 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:18.8
occ:1.00
 O A:HOH469 3.0 20.4 1.0
OG1 A:THR51 3.1 9.7 1.0
N A:THR51 3.3 9.0 1.0
O A:HOH468 3.5 19.6 1.0
N A:SER50 3.5 10.3 1.0
CB A:ALA13 3.5 7.0 1.0
CB A:THR51 3.8 9.6 1.0
CB A:SER50 4.0 11.2 1.0
C A:GLY49 4.0 10.4 1.0
CA A:SER50 4.1 11.0 1.0
CE2 A:TYR46 4.2 11.2 1.0
CA A:THR51 4.2 9.2 1.0
C A:SER50 4.2 9.7 1.0
CA A:GLY49 4.2 9.9 1.0
NZ A:LYS167 4.4 14.1 1.0
CD2 A:TYR46 4.4 6.8 1.0
OG A:SER50 4.6 18.0 1.0
O A:HOH409 4.7 10.7 1.0
OH A:TYR139 4.8 14.4 1.0
CA A:ALA13 4.9 7.6 1.0
O A:GLY49 4.9 9.2 1.0
CE A:LYS167 4.9 13.7 1.0
O A:HOH460 5.0 18.9 1.0
O A:HOH687 5.0 40.9 1.0

Chlorine binding site 2 out of 8 in 4n4p

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Chlorine binding site 2 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:22.1
occ:1.00
 O A:HOH424 2.8 13.0 1.0
O A:HOH518 3.1 25.4 1.0
N A:TYR278 3.2 15.3 1.0
O A:HOH413 3.3 11.2 1.0
CG A:GLN255 3.7 11.6 1.0
CD2 A:TYR278 3.8 14.5 1.0
CB A:GLN255 3.8 9.8 1.0
CB A:TYR278 3.8 15.8 1.0
CD A:ARG277 3.8 18.6 1.0
CA A:TYR278 4.0 16.9 1.0
CA A:ARG277 4.0 14.4 1.0
C A:ARG277 4.0 14.9 1.0
O A:TYR278 4.2 18.5 1.0
O A:TRP276 4.2 13.0 1.0
CG A:TYR278 4.3 16.4 1.0
CG2 A:ILE283 4.4 13.3 1.0
CG1 A:ILE283 4.4 10.2 1.0
NE A:ARG277 4.4 19.6 1.0
CD1 A:TYR270 4.5 18.5 1.0
C A:TYR278 4.5 18.4 1.0
CB A:ILE283 4.5 11.9 1.0
CG A:ARG277 4.6 16.5 1.0
CA A:GLN255 4.6 10.1 1.0
CB A:ARG277 4.9 14.3 1.0
CE2 A:TYR278 4.9 15.7 1.0
CE1 A:TYR270 4.9 22.2 1.0

Chlorine binding site 3 out of 8 in 4n4p

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Chlorine binding site 3 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl300

b:18.2
occ:1.00
 O B:HOH488 3.1 20.6 1.0
OG1 B:THR51 3.2 8.8 1.0
N B:THR51 3.3 7.7 1.0
N B:SER50 3.4 7.8 1.0
O B:HOH477 3.4 19.4 1.0
CB B:ALA13 3.5 6.8 1.0
CB B:THR51 3.8 8.4 1.0
CB B:SER50 3.9 9.9 1.0
C B:GLY49 4.0 8.6 1.0
CA B:SER50 4.0 8.8 1.0
CA B:GLY49 4.2 8.1 1.0
C B:SER50 4.2 8.2 1.0
CA B:THR51 4.2 7.6 1.0
CE2 B:TYR46 4.2 8.0 1.0
NZ B:LYS167 4.2 18.6 1.0
CD2 B:TYR46 4.4 7.1 1.0
OG B:SER50 4.5 16.7 1.0
O B:HOH407 4.8 9.4 1.0
OH B:TYR139 4.8 15.0 1.0
CE B:LYS167 4.9 18.0 1.0
CA B:ALA13 4.9 6.8 1.0
O B:GLY49 4.9 7.6 1.0

Chlorine binding site 4 out of 8 in 4n4p

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Chlorine binding site 4 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:20.0
occ:1.00
 O B:HOH424 2.9 11.3 1.0
O B:HOH548 3.0 24.7 1.0
N B:TYR278 3.2 14.2 1.0
O B:HOH422 3.3 11.7 1.0
CB B:TYR278 3.7 15.0 1.0
CD2 B:TYR278 3.7 11.0 1.0
CD B:ARG277 3.8 20.0 1.0
CB B:GLN255 3.8 8.5 1.0
CG B:GLN255 3.8 8.1 1.0
CA B:TYR278 4.0 15.7 1.0
CA B:ARG277 4.1 13.8 1.0
C B:ARG277 4.1 14.5 1.0
O B:TYR278 4.1 16.9 1.0
CG B:TYR278 4.2 12.7 1.0
O B:TRP276 4.3 11.9 1.0
CG2 B:ILE283 4.3 15.0 1.0
CG1 B:ILE283 4.4 12.2 1.0
CB B:ILE283 4.4 14.8 1.0
C B:TYR278 4.5 17.8 1.0
CD1 B:TYR270 4.5 15.1 1.0
CG B:ARG277 4.6 16.2 1.0
NE B:ARG277 4.6 21.1 1.0
CA B:GLN255 4.7 8.0 1.0
CE2 B:TYR278 4.9 12.2 1.0
CB B:ARG277 4.9 14.6 1.0
CE1 B:TYR270 5.0 18.3 1.0

Chlorine binding site 5 out of 8 in 4n4p

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Chlorine binding site 5 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl300

b:20.8
occ:1.00
 O C:HOH448 2.9 18.2 1.0
O C:HOH506 3.1 24.8 1.0
O C:HOH420 3.2 14.2 1.0
N C:TYR278 3.3 18.3 1.0
CB C:TYR278 3.7 19.1 1.0
CD2 C:TYR278 3.8 16.9 1.0
CB C:GLN255 3.8 11.1 1.0
CG C:GLN255 3.8 11.8 1.0
CD C:ARG277 3.9 23.3 1.0
CA C:TYR278 4.0 19.6 1.0
C C:ARG277 4.2 17.7 1.0
CA C:ARG277 4.2 17.3 1.0
O C:TYR278 4.2 21.1 1.0
CG C:TYR278 4.2 18.6 1.0
O C:TRP276 4.3 15.4 1.0
CG2 C:ILE283 4.3 18.7 1.0
CG1 C:ILE283 4.3 17.4 1.0
CD1 C:TYR270 4.4 17.7 1.0
CB C:ILE283 4.5 18.4 1.0
C C:TYR278 4.6 21.1 1.0
CA C:GLN255 4.6 10.8 1.0
NE C:ARG277 4.6 23.2 1.0
CG C:ARG277 4.7 20.6 1.0
CE1 C:TYR270 4.7 20.2 1.0
CE2 C:TYR278 4.9 14.6 1.0
CD1 C:ILE283 4.9 16.9 1.0
CB C:ARG277 5.0 17.6 1.0

Chlorine binding site 6 out of 8 in 4n4p

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Chlorine binding site 6 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:20.8
occ:1.00
 O C:HOH467 3.1 20.3 1.0
O C:HOH450 3.2 19.2 1.0
OG1 C:THR51 3.2 12.3 1.0
N C:THR51 3.3 10.6 1.0
N C:SER50 3.5 10.7 1.0
CB C:ALA13 3.5 9.7 1.0
CB C:THR51 3.8 11.1 1.0
CB C:SER50 3.9 12.0 1.0
CA C:SER50 4.0 11.3 1.0
C C:GLY49 4.0 11.1 1.0
CA C:GLY49 4.1 10.6 1.0
C C:SER50 4.1 10.7 1.0
CA C:THR51 4.1 10.8 1.0
CE2 C:TYR46 4.2 10.4 1.0
NZ C:LYS167 4.3 17.1 1.0
CD2 C:TYR46 4.4 11.2 1.0
OG C:SER50 4.5 16.9 1.0
O C:HOH604 4.6 35.8 1.0
O C:HOH401 4.7 9.3 1.0
OH C:TYR139 4.8 12.7 1.0
CA C:ALA13 4.9 9.8 1.0
O C:GLY49 4.9 10.3 1.0
CE C:LYS167 5.0 18.1 1.0

Chlorine binding site 7 out of 8 in 4n4p

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Chlorine binding site 7 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl300

b:18.1
occ:1.00
 OG1 D:THR51 3.1 11.2 1.0
O D:HOH477 3.1 20.7 1.0
N D:THR51 3.2 9.7 1.0
O D:HOH457 3.5 20.9 1.0
N D:SER50 3.5 10.4 1.0
CB D:ALA13 3.5 10.6 1.0
CB D:THR51 3.7 9.5 1.0
CB D:SER50 3.9 11.3 1.0
CA D:SER50 4.0 11.2 1.0
CA D:THR51 4.1 9.4 1.0
C D:GLY49 4.1 10.4 1.0
C D:SER50 4.1 10.1 1.0
NZ D:LYS167 4.2 14.5 1.0
CE2 D:TYR46 4.3 9.8 1.0
CA D:GLY49 4.3 10.1 1.0
OG D:SER50 4.4 18.7 1.0
CD2 D:TYR46 4.5 9.5 1.0
O D:HOH402 4.8 9.6 1.0
OH D:TYR139 4.9 12.9 1.0
CA D:ALA13 4.9 10.1 1.0
O D:GLY49 4.9 8.5 1.0
O D:HOH499 5.0 23.9 1.0
CE D:LYS167 5.0 15.1 1.0

Chlorine binding site 8 out of 8 in 4n4p

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Chlorine binding site 8 out of 8 in the Crystal Structure of N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I


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 N-Acetylneuraminate Lyase From Mycoplasma Synoviae, Crystal Form I within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:19.7
occ:1.00
 O D:HOH437 2.9 16.9 1.0
O D:HOH482 3.0 22.0 1.0
O D:HOH405 3.2 11.1 1.0
N D:TYR278 3.3 15.4 1.0
CB D:TYR278 3.7 15.6 1.0
CD2 D:TYR278 3.8 10.4 1.0
CD D:ARG277 3.8 17.3 1.0
CB D:GLN255 3.8 9.4 1.0
CG D:GLN255 3.9 9.9 1.0
CA D:TYR278 4.0 16.5 1.0
O D:TYR278 4.2 17.9 1.0
CA D:ARG277 4.2 14.6 1.0
C D:ARG277 4.2 14.8 1.0
CG D:TYR278 4.2 14.2 1.0
CG2 D:ILE283 4.3 16.4 1.0
CG1 D:ILE283 4.4 14.1 1.0
O D:TRP276 4.4 13.9 1.0
NE D:ARG277 4.5 16.7 1.0
CB D:ILE283 4.5 16.8 1.0
C D:TYR278 4.5 17.9 1.0
CG D:ARG277 4.7 16.0 1.0
CA D:GLN255 4.7 9.3 1.0
CD1 D:TYR270 4.7 17.1 1.0
CE2 D:TYR278 4.9 10.3 1.0
CB D:ARG277 4.9 14.6 1.0
CD1 D:ILE283 5.0 14.8 1.0

Reference:

F.Georgescauld, K.Popova, A.J.Gupta, A.Bracher, J.R.Engen, M.Hayer-Hartl, F.U.Hartl. Groel/Es Chaperonin Modulates the Mechanism and Accelerates the Rate of Tim-Barrel Domain Folding. Cell(Cambridge,Mass.) V. 157 922 2014.
ISSN: ISSN 0092-8674
PubMed: 24813614
DOI: 10.1016/J.CELL.2014.03.038
Page generated: Sun Jul 21 20:28:04 2024

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