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Chlorine in PDB 4cab: The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution

Enzymatic activity of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution

All present enzymatic activity of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution:
1.11.1.6;

Protein crystallography data

The structure of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution, PDB code: 4cab was solved by P.T.Borges, C.S.Miranda, S.P.Santos, C.Frazao, C.V.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.402 / 2.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 97.326, 311.875, 145.628, 90.00, 90.00, 90.00
R / Rfree (%) 23.63 / 23.63

Other elements in 4cab:

The structure of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution (pdb code 4cab). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution, PDB code: 4cab:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4cab

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Chlorine binding site 1 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1537

b:7.0
occ:1.00
 O A:HOH2109 2.8 27.3 1.0
NH1 A:ARG374 3.0 20.9 1.0
CB A:LEU382 3.5 14.9 1.0
O A:PRO379 3.6 13.5 1.0
CA A:ASN380 3.6 16.6 1.0
N A:LEU382 3.7 13.9 1.0
C A:ASN380 3.8 16.6 1.0
CZ A:ARG374 4.0 21.9 1.0
N A:TYR381 4.0 15.9 1.0
CG A:LEU382 4.1 15.3 1.0
CA A:LEU382 4.1 14.6 1.0
OD1 A:ASN380 4.1 17.0 1.0
NH2 A:ARG374 4.2 21.5 1.0
CD1 A:LEU382 4.3 15.6 1.0
O A:ASN380 4.4 16.6 1.0
C A:PRO379 4.4 13.3 1.0
N A:ASN380 4.5 16.5 1.0
CB A:ASN380 4.5 16.6 1.0
N A:GLN383 4.6 16.3 1.0
C A:LEU382 4.6 14.7 1.0
CD1 A:TYR381 4.7 20.6 1.0
CG A:GLN383 4.7 16.5 1.0
C A:TYR381 4.8 20.8 1.0
OE1 A:GLN397 4.8 18.1 1.0
CG A:ASN380 4.8 16.8 1.0
CE1 A:TYR381 4.9 20.8 1.0
CA A:TYR381 5.0 23.5 1.0

Chlorine binding site 2 out of 10 in 4cab

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Chlorine binding site 2 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1538

b:14.2
occ:1.00
 O A:HOH2002 3.0 13.1 1.0
CE A:LYS66 3.6 18.5 1.0
CD1 A:LEU33 4.0 17.0 1.0
CD A:LYS66 4.2 18.2 1.0
CG A:LYS66 4.3 17.7 1.0
NZ A:LYS66 4.4 19.0 1.0
O B:HOH2042 4.7 9.4 1.0
CD2 A:LEU33 4.9 17.6 1.0
CG A:LEU33 4.9 17.4 1.0

Chlorine binding site 3 out of 10 in 4cab

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Chlorine binding site 3 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1539

b:37.8
occ:1.00
 NH1 A:ARG487 2.6 36.0 1.0
NH2 A:ARG487 3.1 34.9 1.0
CZ A:ARG487 3.3 35.5 1.0
O A:HOH2135 4.6 22.6 1.0
NE A:ARG487 4.6 35.7 1.0

Chlorine binding site 4 out of 10 in 4cab

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Chlorine binding site 4 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1002

b:16.0
occ:1.00
 O B:HOH2002 2.9 16.2 1.0
O A:HOH2027 3.0 12.3 1.0
O A:HOH2058 3.3 7.0 1.0
CE B:LYS66 3.6 23.2 1.0
CG B:LYS66 4.0 22.4 1.0
CD B:LYS66 4.1 22.9 1.0
CD1 B:LEU33 4.2 25.5 1.0
NZ B:LYS66 4.5 23.8 1.0
CD2 B:LEU33 5.0 26.1 1.0
O A:HOH2057 5.0 14.0 1.0

Chlorine binding site 5 out of 10 in 4cab

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Chlorine binding site 5 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1537

b:19.1
occ:1.00
 O B:HOH2090 3.1 46.1 1.0
NH1 B:ARG374 3.1 20.8 1.0
CB B:LEU382 3.5 21.3 1.0
N B:LEU382 3.6 20.6 1.0
CA B:ASN380 3.6 19.9 1.0
O B:PRO379 3.7 19.5 1.0
C B:ASN380 3.8 20.0 1.0
N B:TYR381 4.0 19.8 1.0
CA B:LEU382 4.0 21.2 1.0
CG B:LEU382 4.0 21.1 1.0
CZ B:ARG374 4.1 20.8 1.0
NH2 B:ARG374 4.2 21.2 1.0
OD1 B:ASN380 4.2 20.5 1.0
CD1 B:LEU382 4.3 21.4 1.0
O B:ASN380 4.3 20.4 1.0
C B:PRO379 4.5 19.2 1.0
CB B:ASN380 4.5 20.2 1.0
N B:ASN380 4.5 19.4 1.0
N B:GLN383 4.5 21.4 1.0
C B:LEU382 4.5 21.6 1.0
C B:TYR381 4.7 20.4 1.0
CD1 B:TYR381 4.8 19.4 1.0
CG B:ASN380 4.8 20.3 1.0
OE1 B:GLN397 4.8 21.8 1.0
CG B:GLN383 4.8 21.9 1.0
CA B:TYR381 4.9 19.8 1.0
CE1 B:TYR381 5.0 19.5 1.0

Chlorine binding site 6 out of 10 in 4cab

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Chlorine binding site 6 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1538

b:43.6
occ:1.00
 NH1 B:ARG254 3.5 32.6 1.0
CD B:ARG254 3.6 30.9 1.0
CG B:ARG254 3.8 30.6 1.0
O B:GLN251 3.8 32.1 1.0
CE1 B:PHE222 3.9 30.9 1.0
CD1 B:PHE222 4.1 30.4 1.0
CG A:GLU531 4.4 32.3 1.0
CZ B:ARG254 4.5 31.9 1.0
NE B:ARG254 4.5 31.0 1.0
CD A:GLU531 4.5 33.2 1.0
OE2 A:GLU531 4.6 33.7 1.0
CB A:GLU531 4.9 31.8 1.0
CZ B:PHE222 4.9 30.6 1.0

Chlorine binding site 7 out of 10 in 4cab

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Chlorine binding site 7 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1002

b:13.2
occ:1.00
 O C:HOH2002 3.5 7.0 1.0
CE C:LYS66 3.6 18.1 1.0
CG C:LYS66 4.2 17.7 1.0
CD C:LYS66 4.3 18.4 1.0
CD1 C:LEU33 4.3 20.7 1.0
NZ C:LYS66 4.5 19.3 1.0

Chlorine binding site 8 out of 10 in 4cab

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Chlorine binding site 8 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1537

b:26.9
occ:1.00
 N C:ARG439 3.1 33.0 1.0
CB C:ARG439 3.6 35.1 1.0
O C:HOH2110 3.8 19.1 1.0
CA C:ARG439 3.9 33.4 1.0
CA C:PRO438 3.9 31.9 1.0
C C:PRO438 4.0 32.0 1.0
CB C:PRO438 4.5 30.5 1.0
O C:ARG439 4.5 31.8 1.0
OD2 C:ASP297 4.7 34.3 1.0
C C:ARG439 4.7 32.2 1.0
CG C:ARG439 5.0 35.8 1.0

Chlorine binding site 9 out of 10 in 4cab

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Chlorine binding site 9 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1538

b:10.4
occ:1.00
 NH1 C:ARG374 2.9 17.8 1.0
N C:LEU382 3.4 18.1 1.0
CA C:ASN380 3.5 18.5 1.0
CB C:LEU382 3.5 20.1 1.0
O C:PRO379 3.5 15.8 1.0
C C:ASN380 3.5 18.0 1.0
N C:TYR381 3.7 16.3 1.0
CZ C:ARG374 3.9 19.7 1.0
CA C:LEU382 3.9 19.4 1.0
CG C:LEU382 4.0 19.7 1.0
O C:ASN380 4.1 17.1 1.0
NH2 C:ARG374 4.2 20.4 1.0
C C:PRO379 4.3 15.3 1.0
OD1 C:ASN380 4.3 19.1 1.0
N C:ASN380 4.3 16.8 1.0
CD1 C:LEU382 4.3 20.4 1.0
CD1 C:TYR381 4.4 16.2 1.0
CB C:ASN380 4.4 17.9 1.0
N C:GLN383 4.5 16.6 1.0
C C:TYR381 4.5 16.3 1.0
C C:LEU382 4.5 20.0 1.0
CA C:TYR381 4.6 15.8 1.0
CE1 C:TYR381 4.7 16.1 1.0
CG C:GLN383 4.8 18.2 1.0
CG C:ASN380 4.9 18.6 1.0
CG C:TYR381 5.0 15.9 1.0
OE1 C:GLN397 5.0 17.4 1.0

Chlorine binding site 10 out of 10 in 4cab

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Chlorine binding site 10 out of 10 in the The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Refined Structure of Catalase DR1998 From Deinococcus Radiodurans at 2.6 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1537

b:7.0
occ:1.00
 NH1 D:ARG374 3.0 17.3 1.0
N D:LEU382 3.4 17.6 1.0
CB D:LEU382 3.4 18.2 1.0
CA D:ASN380 3.4 16.9 1.0
C D:ASN380 3.5 17.0 1.0
O D:PRO379 3.6 16.7 1.0
N D:TYR381 3.7 17.3 1.0
CA D:LEU382 3.9 18.1 1.0
CZ D:ARG374 4.0 17.4 1.0
O D:ASN380 4.1 17.2 1.0
CG D:LEU382 4.1 18.2 1.0
OD1 D:ASN380 4.2 17.1 1.0
NH2 D:ARG374 4.2 17.7 1.0
N D:GLN383 4.3 18.1 1.0
C D:LEU382 4.4 18.3 1.0
CB D:ASN380 4.4 17.0 1.0
CD1 D:LEU382 4.4 18.4 1.0
N D:ASN380 4.4 16.6 1.0
C D:PRO379 4.4 16.6 1.0
C D:TYR381 4.5 17.7 1.0
CG D:GLN383 4.6 18.2 1.0
CD1 D:TYR381 4.6 17.2 1.0
CA D:TYR381 4.7 17.5 1.0
CG D:ASN380 4.8 17.0 1.0
CE1 D:TYR381 4.9 17.4 1.0
OE1 D:GLN397 4.9 19.0 1.0

Reference:

P.T.Borges, C.Frazao, C.S.Miranda, M.A.Carrondo, C.V.Romao. Structure of the Mono-Functional Heme Catalase DR1998 From Deinococcus Radiodurans Febs J. 2014.
ISSN: ESSN 1742-4658
PubMed: 24975828
DOI: 10.1111/FEBS.12895
Page generated: Sat Dec 12 10:28:51 2020

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