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Chlorine in PDB 4p18: Crystal Structure of Frog M Ferritin Mutant D80K

Enzymatic activity of Crystal Structure of Frog M Ferritin Mutant D80K

All present enzymatic activity of Crystal Structure of Frog M Ferritin Mutant D80K:
1.16.3.1;

Protein crystallography data

The structure of Crystal Structure of Frog M Ferritin Mutant D80K, PDB code: 4p18 was solved by C.Pozzi, F.Di Pisa, S.Mangani, C.Bernacchioni, V.Ghini, P.Turano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.35 / 1.91
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 238.930, 238.430, 119.690, 90.00, 94.33, 90.00
R / Rfree (%) 19.6 / 23.1

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 31;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Frog M Ferritin Mutant D80K (pdb code 4p18). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 31 binding sites of Chlorine where determined in the Crystal Structure of Frog M Ferritin Mutant D80K, PDB code: 4p18:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 31 in 4p18

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Chlorine binding site 1 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:29.7
occ:1.00
 O R:HOH406 3.4 15.2 1.0
N B:ASN7 3.4 5.2 1.0
O B:HOH334 3.8 9.4 1.0
O B:HOH438 3.8 29.0 1.0
CA B:GLN6 4.2 5.0 1.0
CA B:ASN7 4.2 5.4 1.0
O R:HOH396 4.2 9.7 1.0
C B:GLN6 4.3 5.1 1.0
O B:HOH375 4.5 16.2 1.0
CG B:GLN6 4.5 5.0 1.0
O B:HOH429 4.9 26.2 1.0
CB B:GLN6 4.9 4.9 1.0

Chlorine binding site 2 out of 31 in 4p18

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Chlorine binding site 2 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:23.7
occ:1.00
 OD1 B:ASN21 2.8 4.4 1.0
N B:LYS82 2.9 7.0 1.0
O B:HOH446 3.0 22.5 1.0
CB B:LYS82 3.6 8.4 1.0
O B:LYS80 3.6 6.2 1.0
CB B:TYR25 3.6 4.1 1.0
CA B:ILE81 3.7 6.2 1.0
CG B:LYS82 3.7 9.7 1.0
CD1 B:TYR25 3.7 4.3 1.0
C B:ILE81 3.8 6.5 1.0
CG B:ASN21 3.8 4.3 1.0
CA B:LYS82 3.8 7.7 1.0
O B:HOH368 3.8 10.4 1.0
O B:HOH500 4.0 11.5 1.0
ND2 B:ASN21 4.0 4.3 1.0
CG B:TYR25 4.1 4.2 1.0
CD B:LYS82 4.3 10.8 1.0
CG2 B:ILE81 4.4 5.8 1.0
O B:ASN21 4.5 4.0 1.0
C B:LYS80 4.5 6.5 1.0
O B:LYS82 4.5 7.2 1.0
N B:ILE81 4.6 6.2 1.0
CA B:TYR25 4.6 3.9 1.0
CB B:ILE81 4.6 6.0 1.0
C B:LYS82 4.7 7.6 1.0
CE1 B:TYR25 4.8 4.4 1.0
O B:ILE81 5.0 6.2 1.0
N B:TYR25 5.0 3.9 1.0

Chlorine binding site 3 out of 31 in 4p18

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Chlorine binding site 3 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:32.0
occ:1.00
 N C:ASN7 3.4 6.0 1.0
O C:HOH330 3.8 7.5 1.0
O F:HOH338 3.8 12.0 1.0
CA C:GLN6 4.1 6.0 1.0
CA C:ASN7 4.2 6.1 1.0
O F:HOH378 4.2 10.2 1.0
O C:HOH402 4.2 23.5 1.0
C C:GLN6 4.3 6.0 1.0
CG C:GLN6 4.5 6.0 1.0
O C:ARG5 4.8 6.5 1.0
CB C:GLN6 4.9 6.0 1.0

Chlorine binding site 4 out of 31 in 4p18

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Chlorine binding site 4 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl203

b:36.9
occ:1.00
 OE1 D:GLU163 2.9 8.0 1.0
O D:HOH395 2.9 22.4 1.0
OE2 D:GLU163 3.3 7.2 1.0
NH2 F:ARG153 3.4 5.6 1.0
CD D:GLU163 3.4 7.8 1.0
CB D:ASN91 3.8 6.8 1.0
O D:HOH441 3.8 24.8 1.0
O F:HOH387 4.0 23.7 1.0
O D:GLY90 4.0 7.1 1.0
CA D:ASN91 4.1 6.5 1.0
CD1 D:LEU44 4.3 5.2 1.0
CZ F:ARG153 4.4 5.7 1.0
NE F:ARG153 4.5 5.8 1.0
CG1 D:VAL42 4.6 5.7 1.0
CG D:GLU163 4.7 7.6 1.0
C D:GLY90 4.9 7.1 1.0
N D:THR92 5.0 6.1 1.0
N D:ASN91 5.0 6.8 1.0

Chlorine binding site 5 out of 31 in 4p18

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Chlorine binding site 5 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl204

b:38.6
occ:1.00
 OE2 D:GLU49 3.1 12.7 1.0
O D:HOH433 3.6 30.4 1.0
OH D:TYR34 3.7 7.5 0.7
CD C:LYS67 4.1 11.5 0.7
CD D:GLU49 4.2 11.4 1.0
NZ C:LYS67 4.3 12.7 0.7
CE D:LYS52 4.3 11.3 1.0
NZ D:LYS52 4.4 12.6 1.0
CE1 D:TYR34 4.4 6.8 0.7
O D:HOH488 4.5 39.5 1.0
CZ D:TYR34 4.5 7.1 0.7
OE1 D:GLU49 4.5 12.4 1.0
CE C:LYS67 4.5 11.6 0.7
CE1 D:HIS45 4.5 8.5 1.0
O D:HOH405 4.6 23.8 1.0
CG C:LYS67 4.8 10.9 1.0

Chlorine binding site 6 out of 31 in 4p18

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Chlorine binding site 6 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl201

b:32.7
occ:1.00
 N M:ASN7 3.4 6.7 1.0
O D:HOH336 3.7 12.5 1.0
O M:HOH336 3.8 7.0 1.0
O M:HOH352 3.9 13.9 1.0
CA M:GLN6 4.1 6.6 1.0
CA M:ASN7 4.2 6.8 1.0
O D:HOH353 4.2 12.6 1.0
C M:GLN6 4.3 6.7 1.0
CG M:GLN6 4.5 6.7 1.0
CB M:GLN6 4.9 6.6 1.0
O M:ARG5 5.0 7.0 1.0

Chlorine binding site 7 out of 31 in 4p18

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Chlorine binding site 7 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl202

b:36.6
occ:1.00
 O O:GLU135 2.8 9.2 1.0
NE2 W:HIS124 3.0 4.8 1.0
O W:HOH451 3.2 23.1 1.0
C O:GLU135 3.5 9.1 1.0
CA O:GLU135 3.6 9.4 1.0
CE1 W:HIS124 3.7 4.8 1.0
CG1 O:VAL138 3.8 5.9 1.0
CB O:VAL138 3.8 6.2 1.0
N O:LYS139 4.0 6.0 1.0
CB O:GLU135 4.0 10.7 1.0
CD W:LYS71 4.2 7.3 1.0
CD2 W:HIS124 4.2 4.8 1.0
CE W:LYS71 4.3 7.5 1.0
NZ O:LYS139 4.4 8.8 0.7
O W:HOH511 4.4 22.5 1.0
NZ W:LYS71 4.5 7.6 1.0
CB O:LYS139 4.5 6.8 1.0
C O:VAL138 4.6 6.3 1.0
CA O:VAL138 4.7 6.4 1.0
CA O:LYS139 4.7 6.3 1.0
CG O:GLU135 4.7 12.1 1.0
N O:GLU136 4.8 8.6 1.0
O O:LEU134 4.9 8.2 1.0
N O:GLU135 4.9 8.9 1.0
CG2 O:VAL138 4.9 6.2 1.0
ND1 W:HIS124 5.0 4.8 1.0
N O:VAL138 5.0 6.9 1.0

Chlorine binding site 8 out of 31 in 4p18

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Chlorine binding site 8 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl203

b:38.0
occ:1.00
 O O:HOH482 2.9 23.9 1.0
N O:ASN7 3.5 6.2 1.0
O N:HOH394 3.7 14.4 1.0
O O:HOH354 3.9 11.2 1.0
O O:HOH389 4.0 17.1 1.0
O N:HOH356 4.1 11.3 1.0
CA O:GLN6 4.2 6.6 1.0
C O:GLN6 4.4 6.5 1.0
CA O:ASN7 4.4 6.3 1.0
CG O:GLN6 4.5 6.8 1.0
CB O:GLN6 4.9 6.7 1.0
O O:ARG5 4.9 7.5 1.0

Chlorine binding site 9 out of 31 in 4p18

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Chlorine binding site 9 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl201

b:25.2
occ:1.00
 OE1 G:GLU163 2.6 4.7 1.0
O2 G:EDO205 2.8 7.3 1.0
NE S:ARG153 2.9 4.0 1.0
O G:HOH336 3.2 10.5 1.0
O G:HOH433 3.2 24.5 1.0
CG S:ARG153 3.4 4.3 1.0
CA G:GLY160 3.5 3.6 1.0
CD S:ARG153 3.5 4.1 1.0
CD G:GLU163 3.6 4.5 1.0
CB G:GLU163 3.7 4.1 1.0
C2 G:EDO205 3.8 7.3 1.0
CZ S:ARG153 3.9 4.0 1.0
NH2 S:ARG153 4.0 4.0 1.0
CG G:GLU163 4.0 4.3 1.0
O G:GLY160 4.1 3.5 1.0
CB S:ARG153 4.1 4.1 1.0
O G:HOH363 4.1 9.1 1.0
C G:GLY160 4.3 3.5 1.0
O S:HOH351 4.5 18.7 1.0
N G:GLY160 4.6 3.6 1.0
OE2 G:GLU163 4.6 4.5 1.0
O G:HOH399 4.6 12.3 1.0
CA S:ARG153 4.8 4.0 1.0
C1 G:EDO205 4.9 7.5 1.0
O G:ASN159 5.0 3.6 1.0

Chlorine binding site 10 out of 31 in 4p18

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Chlorine binding site 10 out of 31 in the Crystal Structure of Frog M Ferritin Mutant D80K


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 Frog M Ferritin Mutant D80K within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl203

b:23.2
occ:1.00
 O T:GLY155 3.2 5.0 1.0
O T:LEU156 3.3 6.2 1.0
N T:GLU158 3.3 8.1 1.0
N T:PRO157 3.4 6.9 1.0
C T:LEU156 3.5 6.2 1.0
CD T:PRO157 3.5 7.1 1.0
CB T:GLU158 3.5 9.2 1.0
C T:GLY155 4.0 4.9 1.0
CA T:GLU158 4.0 8.4 1.0
CG T:PRO157 4.2 7.1 1.0
C T:PRO157 4.3 7.9 1.0
CA T:PRO157 4.4 7.3 1.0
O T:HOH303 4.5 12.5 1.0
CA T:LEU156 4.5 5.7 1.0
N T:LEU156 4.6 5.2 1.0
O T:HOH302 4.7 11.8 1.0
CA T:GLY155 4.8 4.7 1.0
CG T:GLU158 4.9 10.1 1.0
N T:ASN159 4.9 7.3 1.0

Reference:

C.Bernacchioni, V.Ghini, C.Pozzi, F.Di Pisa, E.C.Theil, P.Turano. Loop Electrostatics Modulates the Intersubunit Interactions in Ferritin. Acs Chem.Biol. 2014.
ISSN: ESSN 1554-8937
PubMed: 25148224
DOI: 10.1021/CB500431R
Page generated: Sat Dec 12 11:02:20 2020

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