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Chlorine in PDB 5n12: Crystal Structure of Tce Treated Rppep-1

Enzymatic activity of Crystal Structure of Tce Treated Rppep-1

All present enzymatic activity of Crystal Structure of Tce Treated Rppep-1:
3.4.24.89;

Protein crystallography data

The structure of Crystal Structure of Tce Treated Rppep-1, PDB code: 5n12 was solved by C.Pichlo, M.Schacherl, U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.53 / 1.38
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.169, 71.769, 117.798, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 18.4

Other elements in 5n12:

The structure of Crystal Structure of Tce Treated Rppep-1 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Tce Treated Rppep-1 (pdb code 5n12). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of Tce Treated Rppep-1, PDB code: 5n12:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 5n12

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Chlorine binding site 1 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:20.2
occ:0.80
CL1 A:8FH302 0.0 20.2 0.8
C03 A:8FH302 1.8 20.0 0.8
C02 A:8FH302 2.8 23.6 0.8
H011 A:8FH302 2.8 34.1 0.8
CL3 A:8FH302 2.8 19.1 0.8
CL2 A:8FH302 2.9 19.8 0.8
H021 A:8FH302 2.9 28.3 0.8
HZ A:PHE44 2.9 17.7 1.0
HA A:SER39 2.9 17.7 1.0
HG11 A:VAL58 3.0 18.6 1.0
O01 A:8FH302 3.1 28.5 0.8
HE2 A:PHE44 3.1 17.8 1.0
HG21 A:VAL58 3.3 15.7 1.0
HB A:VAL42 3.4 16.8 1.0
CZ A:PHE44 3.6 14.7 1.0
H022 A:8FH302 3.6 28.3 0.8
CE2 A:PHE44 3.7 14.8 1.0
CA A:SER39 3.8 14.7 1.0
CG1 A:VAL58 3.9 15.5 1.0
HB3 A:SER39 4.0 19.5 1.0
O A:HOH569 4.0 32.1 1.0
HG11 A:VAL42 4.0 16.1 1.0
O A:HOH436 4.1 32.4 1.0
HG21 A:VAL42 4.1 19.1 1.0
CG2 A:VAL58 4.2 13.1 1.0
N A:SER39 4.2 13.8 1.0
HG13 A:VAL58 4.2 18.6 1.0
HB2 A:SER39 4.2 19.5 1.0
CB A:VAL42 4.2 14.0 1.0
CB A:SER39 4.3 16.2 1.0
O A:LEU38 4.3 13.6 1.0
HG22 A:VAL58 4.4 15.7 1.0
C A:LEU38 4.4 13.8 1.0
CG1 A:VAL42 4.5 13.4 1.0
HB3 A:LEU38 4.5 15.1 1.0
CB A:VAL58 4.6 13.8 1.0
HG12 A:VAL58 4.6 18.6 1.0
HG12 A:VAL42 4.6 16.1 1.0
H A:SER39 4.6 16.6 1.0
CG2 A:VAL42 4.6 15.9 1.0
HB A:VAL58 4.6 16.6 1.0
HG23 A:VAL42 4.8 19.1 1.0
CE1 A:PHE44 4.8 14.2 1.0
C A:SER39 4.9 15.7 1.0
HG23 A:VAL58 4.9 15.7 1.0

Chlorine binding site 2 out of 9 in 5n12

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Chlorine binding site 2 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:19.8
occ:0.80
CL2 A:8FH302 0.0 19.8 0.8
C03 A:8FH302 1.8 20.0 0.8
C02 A:8FH302 2.7 23.6 0.8
HG11 A:VAL58 2.7 18.6 1.0
H022 A:8FH302 2.9 28.3 0.8
CL1 A:8FH302 2.9 20.2 0.8
O01 A:8FH302 2.9 28.5 0.8
CL3 A:8FH302 3.0 19.1 0.8
HB A:VAL58 3.1 16.6 1.0
HG21 A:VAL58 3.2 15.7 1.0
H011 A:8FH302 3.3 34.1 0.8
OD1 A:ASN55 3.3 19.1 1.0
CG1 A:VAL58 3.5 15.5 1.0
HZ A:PHE44 3.5 17.7 1.0
HE3 A:LYS35 3.5 20.4 1.0
H021 A:8FH302 3.5 28.3 0.8
O A:HOH469 3.5 24.5 1.0
CB A:VAL58 3.6 13.8 1.0
O A:HOH485 3.6 21.5 1.0
HA A:ASN55 3.7 16.4 1.0
HG12 A:VAL58 3.7 18.6 1.0
CG2 A:VAL58 3.9 13.1 1.0
HZ1 A:LYS35 4.0 20.1 1.0
HE2 A:LYS35 4.2 20.4 1.0
CE A:LYS35 4.2 17.0 1.0
HG13 A:VAL58 4.3 18.6 1.0
HG23 A:VAL58 4.3 15.7 1.0
CG A:ASN55 4.4 18.1 1.0
CZ A:PHE44 4.4 14.7 1.0
NZ A:LYS35 4.6 16.8 1.0
HG22 A:VAL58 4.6 15.7 1.0
CA A:ASN55 4.6 13.7 1.0
O A:ASN55 4.8 12.3 1.0
HZ2 A:LYS35 4.9 20.1 1.0
CB A:ASN55 5.0 14.9 1.0
HE2 A:PHE44 5.0 17.8 1.0

Chlorine binding site 3 out of 9 in 5n12

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Chlorine binding site 3 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:19.1
occ:0.80
CL3 A:8FH302 0.0 19.1 0.8
C03 A:8FH302 1.8 20.0 0.8
C02 A:8FH302 2.7 23.6 0.8
CL1 A:8FH302 2.8 20.2 0.8
H022 A:8FH302 2.9 28.3 0.8
H021 A:8FH302 2.9 28.3 0.8
HG11 A:VAL58 2.9 18.6 1.0
CL2 A:8FH302 3.0 19.8 0.8
HB3 A:SER39 3.0 19.5 1.0
HB3 A:LYS35 3.1 18.3 1.0
O A:LYS35 3.2 15.1 1.0
HE2 A:LYS35 3.4 20.4 1.0
HE3 A:LYS35 3.4 20.4 1.0
H A:SER39 3.7 16.6 1.0
HA A:SER39 3.7 17.7 1.0
CG1 A:VAL58 3.7 15.5 1.0
HG12 A:VAL58 3.7 18.6 1.0
HA A:LYS35 3.8 16.9 1.0
CB A:SER39 3.8 16.2 1.0
N A:SER39 3.8 13.8 1.0
CE A:LYS35 3.8 17.0 1.0
CB A:LYS35 3.9 15.3 1.0
HB2 A:LEU38 3.9 15.1 1.0
O A:HOH632 3.9 27.2 1.0
C A:LYS35 4.0 14.5 1.0
O01 A:8FH302 4.0 28.5 0.8
HG2 A:LYS35 4.0 17.4 1.0
CA A:SER39 4.0 14.7 1.0
CA A:LYS35 4.1 14.1 1.0
HG13 A:VAL58 4.2 18.6 1.0
HB2 A:SER39 4.2 19.5 1.0
H011 A:8FH302 4.2 34.1 0.8
HB3 A:LEU38 4.3 15.1 1.0
CG A:LYS35 4.4 14.5 1.0
C A:LEU38 4.5 13.8 1.0
CB A:LEU38 4.5 12.6 1.0
HB2 A:LYS35 4.7 18.3 1.0
CD A:LYS35 4.7 15.4 1.0
O A:HOH485 4.8 21.5 1.0
HB A:VAL58 4.8 16.6 1.0
HZ1 A:LYS35 4.8 20.1 1.0
HG21 A:VAL58 4.8 15.7 1.0
CB A:VAL58 4.9 13.8 1.0
OG A:SER39 4.9 17.9 1.0
HG A:SER39 4.9 21.5 1.0
NZ A:LYS35 5.0 16.8 1.0

Chlorine binding site 4 out of 9 in 5n12

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Chlorine binding site 4 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:19.6
occ:0.80
CL1 B:8FH302 0.0 19.6 0.8
C03 B:8FH302 1.8 23.4 0.8
C02 B:8FH302 2.7 28.9 0.8
H022 B:8FH302 2.7 34.7 0.8
CL3 B:8FH302 2.8 23.6 0.8
HA B:SER39 2.9 19.6 1.0
CL2 B:8FH302 2.9 21.6 0.8
HZ B:PHE44 2.9 16.3 1.0
HG11 B:VAL58 3.0 17.6 1.0
O01 B:8FH302 3.2 31.3 0.8
HE2 B:PHE44 3.2 16.8 1.0
HB B:VAL42 3.2 15.4 1.0
HG21 B:VAL58 3.2 15.2 1.0
H021 B:8FH302 3.6 34.7 0.8
CZ B:PHE44 3.6 13.6 1.0
CE2 B:PHE44 3.7 14.0 1.0
H011 B:8FH302 3.7 37.5 0.8
CA B:SER39 3.8 16.3 1.0
CG1 B:VAL58 3.9 14.7 1.0
HG11 B:VAL42 4.0 18.3 1.0
O B:LEU38 4.0 13.7 1.0
HG13 B:VAL58 4.0 17.6 1.0
HB3 B:SER39 4.1 24.5 1.0
N B:SER39 4.1 14.9 1.0
CG2 B:VAL58 4.1 12.7 1.0
CB B:VAL42 4.1 12.8 1.0
HG21 B:VAL42 4.1 16.5 1.0
HG22 B:VAL58 4.2 15.2 1.0
C B:LEU38 4.2 13.4 1.0
HB3 B:LEU38 4.3 15.4 1.0
CB B:SER39 4.3 20.4 1.0
HB2 B:SER39 4.4 24.5 1.0
CG1 B:VAL42 4.4 15.2 1.0
HG12 B:VAL42 4.5 18.3 1.0
H B:SER39 4.5 17.9 1.0
CG2 B:VAL42 4.5 13.8 1.0
CB B:VAL58 4.5 12.7 1.0
HG12 B:VAL58 4.6 17.6 1.0
HG23 B:VAL42 4.7 16.5 1.0
HB B:VAL58 4.7 15.2 1.0
HB2 B:LEU38 4.8 15.4 1.0
H B:VAL42 4.8 15.0 1.0
HG23 B:VAL58 4.8 15.2 1.0
CE1 B:PHE44 4.8 13.2 1.0
C B:SER39 4.9 16.8 1.0
CB B:LEU38 4.9 12.8 1.0
O B:LYS35 5.0 21.1 1.0

Chlorine binding site 5 out of 9 in 5n12

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Chlorine binding site 5 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:21.6
occ:0.80
CL2 B:8FH302 0.0 21.6 0.8
C03 B:8FH302 1.8 23.4 0.8
H011 B:8FH302 2.6 37.5 0.8
C02 B:8FH302 2.7 28.9 0.8
O01 B:8FH302 2.8 31.3 0.8
HG11 B:VAL58 2.9 17.6 1.0
CL1 B:8FH302 2.9 19.6 0.8
H021 B:8FH302 3.0 34.7 0.8
CL3 B:8FH302 3.0 23.6 0.8
HG21 B:VAL58 3.1 15.2 1.0
HZ B:PHE44 3.3 16.3 1.0
HB B:VAL58 3.3 15.2 1.0
OD1 B:ASN55 3.4 18.0 1.0
HE3 B:LYS35 3.5 27.9 1.0
H022 B:8FH302 3.6 34.7 0.8
HE2 B:LYS35 3.6 27.9 1.0
O B:HOH527 3.6 24.0 1.0
CG1 B:VAL58 3.7 14.7 1.0
HZ1 B:LYS35 3.7 32.9 1.0
CB B:VAL58 3.8 12.7 1.0
HA B:ASN55 3.9 15.7 1.0
CG2 B:VAL58 3.9 12.7 1.0
CE B:LYS35 3.9 23.3 1.0
HG12 B:VAL58 4.0 17.6 1.0
CZ B:PHE44 4.2 13.6 1.0
NZ B:LYS35 4.3 27.4 1.0
HG23 B:VAL58 4.4 15.2 1.0
HG13 B:VAL58 4.4 17.6 1.0
CG B:ASN55 4.5 16.6 1.0
HG22 B:VAL58 4.6 15.2 1.0
HE2 B:PHE44 4.7 16.8 1.0
CA B:ASN55 4.8 13.1 1.0
HZ2 B:LYS35 4.8 32.9 1.0
HZ3 B:LYS35 4.9 32.9 1.0
HB2 B:ASN55 4.9 17.1 1.0
CE2 B:PHE44 4.9 14.0 1.0
HE1 B:PHE44 4.9 15.8 1.0

Chlorine binding site 6 out of 9 in 5n12

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Chlorine binding site 6 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:23.6
occ:0.80
CL3 B:8FH302 0.0 23.6 0.8
C03 B:8FH302 1.8 23.4 0.8
C02 B:8FH302 2.7 28.9 0.8
H021 B:8FH302 2.8 34.7 0.8
CL1 B:8FH302 2.8 19.6 0.8
HB3 B:LYS35 2.9 23.3 1.0
H022 B:8FH302 3.0 34.7 0.8
O B:LYS35 3.0 21.1 1.0
CL2 B:8FH302 3.0 21.6 0.8
HB3 B:SER39 3.0 24.5 1.0
HG11 B:VAL58 3.1 17.6 1.0
HE2 B:LYS35 3.1 27.9 1.0
HA B:SER39 3.7 19.6 1.0
H B:SER39 3.7 17.9 1.0
HE3 B:LYS35 3.7 27.9 1.0
C B:LYS35 3.7 22.0 1.0
HA B:LYS35 3.8 21.8 1.0
CB B:LYS35 3.8 19.4 1.0
N B:SER39 3.8 14.9 1.0
CB B:SER39 3.9 20.4 1.0
CE B:LYS35 3.9 23.3 1.0
CG1 B:VAL58 3.9 14.7 1.0
O01 B:8FH302 4.0 31.3 0.8
HG12 B:VAL58 4.0 17.6 1.0
CA B:LYS35 4.0 18.2 1.0
CA B:SER39 4.0 16.3 1.0
HB2 B:LEU38 4.0 15.4 1.0
HG2 B:LYS35 4.2 23.5 1.0
HB2 B:SER39 4.2 24.5 1.0
H011 B:8FH302 4.2 37.5 0.8
HG13 B:VAL58 4.3 17.6 1.0
CG B:LYS35 4.4 19.6 1.0
HB2 B:LYS35 4.5 23.3 1.0
C B:LEU38 4.5 13.4 1.0
HB3 B:LEU38 4.5 15.4 1.0
CB B:LEU38 4.7 12.8 1.0
CD B:LYS35 4.7 23.5 1.0
HG21 B:VAL58 4.8 15.2 1.0
N B:ASP36 4.8 23.1 1.0
HZ1 B:LYS35 4.8 32.9 1.0
HA B:ASP36 4.9 31.9 1.0
HG B:SER39 4.9 29.7 1.0
OG B:SER39 4.9 24.7 1.0
NZ B:LYS35 5.0 27.4 1.0
HB B:VAL58 5.0 15.2 1.0

Chlorine binding site 7 out of 9 in 5n12

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Chlorine binding site 7 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:27.4
occ:0.80
CL1 B:8FH303 0.0 27.4 0.8
C03 B:8FH303 1.8 27.1 0.8
C02 B:8FH303 2.7 24.3 0.8
H021 B:8FH303 2.7 29.1 0.8
CL3 B:8FH303 2.9 26.9 0.8
H022 B:8FH303 2.9 29.1 0.8
O B:HOH455 3.0 22.0 1.0
CL2 B:8FH303 3.1 28.2 0.8
O01 B:8FH303 4.0 22.7 0.8
H011 B:8FH303 4.3 27.2 0.8
O B:SER39 4.6 18.8 1.0
HG22 B:VAL43 4.6 20.8 1.0
O B:VAL42 4.9 16.1 1.0

Chlorine binding site 8 out of 9 in 5n12

Go back to Chlorine Binding Sites List in 5n12
Chlorine binding site 8 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:28.2
occ:0.80
CL2 B:8FH303 0.0 28.2 0.8
C03 B:8FH303 1.8 27.1 0.8
C02 B:8FH303 2.7 24.3 0.8
H022 B:8FH303 2.8 29.1 0.8
H011 B:8FH303 2.8 27.2 0.8
CL3 B:8FH303 2.9 26.9 0.8
CL1 B:8FH303 3.1 27.4 0.8
HE3 B:LYS78 3.1 30.8 1.0
O01 B:8FH303 3.1 22.7 0.8
HA B:GLN40 3.3 20.2 1.0
O B:VAL42 3.5 16.1 1.0
O B:SER39 3.5 18.8 1.0
H021 B:8FH303 3.6 29.1 0.8
HG22 B:VAL43 3.6 20.8 1.0
C B:GLN40 3.6 16.4 1.0
O B:HOH455 3.6 22.0 1.0
HD2 B:LYS78 3.8 25.9 1.0
O B:GLN40 3.9 16.5 1.0
CA B:GLN40 3.9 16.9 1.0
CE B:LYS78 3.9 25.6 1.0
N B:ILE41 4.0 14.5 1.0
HG23 B:VAL43 4.1 20.8 1.0
HE2 B:LYS78 4.2 30.8 1.0
H B:ILE41 4.2 17.4 1.0
CG2 B:VAL43 4.3 17.3 1.0
CD B:LYS78 4.3 21.6 1.0
C B:ILE41 4.4 12.9 1.0
C B:VAL42 4.4 13.6 1.0
C B:SER39 4.4 16.8 1.0
HA B:ILE41 4.5 16.8 1.0
CA B:ILE41 4.6 14.0 1.0
O B:ILE41 4.6 11.6 1.0
N B:GLN40 4.6 15.7 1.0
HA B:VAL43 4.6 15.1 1.0
N B:VAL42 4.6 12.5 1.0
HD3 B:LYS78 4.7 25.9 1.0
H B:VAL42 4.8 15.0 1.0
HG21 B:VAL43 4.9 20.8 1.0

Chlorine binding site 9 out of 9 in 5n12

Go back to Chlorine Binding Sites List in 5n12
Chlorine binding site 9 out of 9 in the Crystal Structure of Tce Treated Rppep-1


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 Tce Treated Rppep-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:26.9
occ:0.80
CL3 B:8FH303 0.0 26.9 0.8
C03 B:8FH303 1.8 27.1 0.8
C02 B:8FH303 2.7 24.3 0.8
CL2 B:8FH303 2.9 28.2 0.8
O01 B:8FH303 2.9 22.7 0.8
H021 B:8FH303 2.9 29.1 0.8
CL1 B:8FH303 2.9 27.4 0.8
H011 B:8FH303 3.3 27.2 0.8
HE3 B:LYS78 3.5 30.8 1.0
H022 B:8FH303 3.6 29.1 0.8
HE2 B:LYS78 3.9 30.8 1.0
CE B:LYS78 4.1 25.6 1.0
O B:HOH543 4.2 37.7 1.0
HZ1 B:LYS78 4.6 31.0 1.0
HG22 B:VAL43 4.6 20.8 1.0
NZ B:LYS78 4.9 25.8 1.0
HA B:GLN40 5.0 20.2 1.0

Reference:

C.Pichlo, C.Toelzer, K.Chojnacki, S.Ocal, M.Uthoff, S.Ruegenberg, T.Hermanns, M.Schacherl, M.S.Denzel, K.Hofmann, K.Niefind, U.Baumann. Improved Protein-Crystal Identification By Using 2,2,2-Trichloroethanol As A Fluorescence Enhancer. Acta Crystallogr F Struct V. 74 307 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 29717999
DOI: 10.1107/S2053230X18005253
Page generated: Fri Jul 26 13:09:03 2024

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