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Chlorine in PDB 4fkb: An Organic Solvent Tolerant Lipase 42

Enzymatic activity of An Organic Solvent Tolerant Lipase 42

All present enzymatic activity of An Organic Solvent Tolerant Lipase 42:
3.1.1.3;

Protein crystallography data

The structure of An Organic Solvent Tolerant Lipase 42, PDB code: 4fkb was solved by R.N.Zaliha, R.A.Rahman, M.S.Khusaini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.22
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.824, 81.001, 99.529, 90.00, 96.69, 90.00
R / Rfree (%) 12.7 / 16.5

Other elements in 4fkb:

The structure of An Organic Solvent Tolerant Lipase 42 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the An Organic Solvent Tolerant Lipase 42 (pdb code 4fkb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the An Organic Solvent Tolerant Lipase 42, PDB code: 4fkb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4fkb

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Chlorine binding site 1 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl415

b:20.4
occ:1.00
 OH A:TYR282 3.0 9.6 1.0
N A:THR278 3.1 24.3 1.0
N A:LEU277 3.4 19.5 1.0
O A:HOH939 3.5 38.7 1.0
CA A:GLY275 3.5 10.6 1.0
CE1 A:TYR282 3.5 7.9 1.0
CB A:LEU277 3.5 17.5 1.0
N A:GLY279 3.6 19.2 1.0
N A:ASN280 3.6 10.5 1.0
C A:GLY275 3.7 11.3 1.0
CZ A:TYR282 3.7 7.3 1.0
CA A:LEU277 3.8 18.8 1.0
OG1 A:THR278 3.9 32.8 1.0
CB A:ASN280 3.9 8.3 1.0
C A:LEU277 3.9 19.7 1.0
N A:ALA276 4.0 10.1 1.0
CA A:THR278 4.0 25.6 1.0
C A:THR278 4.1 26.5 1.0
O A:ASN280 4.1 8.3 1.0
N A:GLY275 4.1 9.4 1.0
O A:GLY275 4.1 13.9 1.0
CA A:ASN280 4.2 8.0 1.0
CG A:LEU277 4.2 24.3 1.0
C A:ALA276 4.4 15.2 1.0
C A:ASN280 4.5 6.0 1.0
C A:GLY279 4.5 15.9 1.0
CA A:GLY279 4.6 22.9 1.0
CG A:ASN280 4.6 10.4 1.0
CB A:THR278 4.6 29.9 1.0
CD1 A:LEU277 4.7 22.5 1.0
CD1 A:TYR282 4.8 6.7 1.0
CA A:ALA276 4.9 11.6 1.0
ND2 A:ASN280 4.9 16.6 1.0

Chlorine binding site 2 out of 10 in 4fkb

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Chlorine binding site 2 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl416

b:15.8
occ:0.50
 OG A:SER201 3.3 19.3 0.7
N A:SER201 3.4 19.2 1.0
N A:THR200 3.4 19.6 1.0
CB A:SER201 3.8 17.2 0.3
CB A:SER201 3.8 23.3 0.7
CD1 A:TYR199 3.9 14.5 1.0
CA A:TYR199 4.1 15.6 1.0
CB A:THR200 4.1 20.4 1.0
CB A:TYR199 4.1 17.2 1.0
C A:TYR199 4.1 16.4 1.0
CA A:THR200 4.2 19.3 1.0
CA A:SER201 4.2 17.8 0.3
CA A:SER201 4.2 19.2 0.7
C A:THR200 4.2 17.4 1.0
OG1 A:THR200 4.4 25.6 1.0
CG A:TYR199 4.5 13.1 1.0
O A:SER201 4.9 15.6 1.0
CE1 A:TYR199 4.9 16.8 1.0

Chlorine binding site 3 out of 10 in 4fkb

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Chlorine binding site 3 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl417

b:14.6
occ:1.00
 NA A:NA407 2.2 37.7 1.0
OH A:TYR224 3.1 10.6 1.0
O A:HOH538 3.3 13.4 1.0
O A:HOH525 3.3 12.7 1.0
N A:PHE206 3.4 9.5 1.0
N A:ARG215 3.5 11.2 1.0
CZ A:TYR224 3.6 9.1 1.0
CE2 A:TYR224 3.6 9.8 1.0
OE1 A:GLU202 3.8 20.0 1.0
CA A:ARG214 4.0 11.3 1.0
CB A:PHE206 4.0 10.2 1.0
OD1 A:ASP205 4.1 11.5 1.0
CG A:ARG214 4.1 18.8 1.0
CA A:ASP205 4.1 10.3 1.0
O A:TYR204 4.2 12.6 1.0
CB A:ARG215 4.2 11.7 1.0
C A:ASP205 4.2 9.7 1.0
C A:ARG214 4.2 12.0 1.0
CA A:PHE206 4.2 8.7 1.0
CD1 A:PHE206 4.4 11.7 1.0
O A:HOH753 4.4 28.9 1.0
CA A:ARG215 4.5 11.8 1.0
CD A:GLU202 4.5 20.0 1.0
CB A:ARG214 4.6 13.8 1.0
CG A:PHE206 4.7 9.1 1.0
CD2 A:TYR224 4.7 8.9 1.0
N A:LYS207 4.7 7.9 1.0
CE1 A:TYR224 4.8 9.1 1.0
C A:PHE206 4.9 6.9 1.0
CG A:ASP205 4.9 11.8 1.0
O A:LEU213 4.9 10.1 1.0
CG A:GLU202 5.0 20.0 1.0

Chlorine binding site 4 out of 10 in 4fkb

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Chlorine binding site 4 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl418

b:18.2
occ:1.00
 O A:HOH768 3.1 32.6 1.0
NH1 A:ARG227 3.2 13.1 1.0
O A:HOH984 3.3 44.2 1.0
N A:ARG214 3.4 11.1 1.0
O A:HOH631 3.4 43.4 1.0
O A:ARG214 3.4 13.9 1.0
NH2 A:ARG227 3.6 11.2 1.0
O A:GLY212 3.7 16.1 1.0
O A:HOH986 3.7 42.2 1.0
CA A:LEU213 3.7 11.2 1.0
CZ A:ARG227 3.9 11.5 1.0
C A:LEU213 4.0 10.8 1.0
CD2 A:LEU213 4.2 16.8 1.0
C A:ARG214 4.3 12.0 1.0
CA A:ARG214 4.4 11.3 1.0
C A:GLY212 4.6 13.3 1.0
CB A:LEU213 4.6 11.0 1.0
N A:LEU213 4.7 10.3 1.0
CG A:LEU213 4.9 13.4 1.0

Chlorine binding site 5 out of 10 in 4fkb

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Chlorine binding site 5 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl419

b:18.4
occ:1.00
 O A:HOH875 3.1 28.0 1.0
O A:HOH872 3.1 45.5 1.0
O A:HOH803 3.2 37.3 1.0
N A:ASN367 3.2 10.8 1.0
NE A:ARG34 3.4 11.3 1.0
CD A:ARG34 3.4 13.4 1.0
N A:PRO368 3.5 12.9 1.0
CZ A:ARG34 3.6 11.7 1.0
CB A:PRO366 3.6 14.4 1.0
C A:ASN367 3.6 10.8 1.0
CA A:PRO366 3.7 12.7 1.0
CA A:PRO368 3.7 12.8 1.0
CD A:PRO368 3.7 15.0 1.0
NH1 A:ARG34 3.9 13.6 1.0
C A:PRO366 3.9 10.9 1.0
CG A:PRO368 4.0 19.5 1.0
O A:ASN367 4.0 11.5 1.0
CA A:ASN367 4.1 11.2 1.0
NH2 A:ARG34 4.2 13.8 1.0
CB A:PRO368 4.3 16.3 1.0
CG A:ARG34 4.9 13.9 1.0
O A:HOH669 4.9 67.1 1.0
O A:HOH804 5.0 46.0 1.0

Chlorine binding site 6 out of 10 in 4fkb

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Chlorine binding site 6 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl419

b:12.7
occ:1.00
 OH B:TYR282 3.1 10.5 1.0
N B:THR278 3.2 13.9 1.0
N B:LEU277 3.3 13.7 1.0
N B:ASN280 3.4 11.3 1.0
CE1 B:TYR282 3.5 9.1 1.0
CB B:LEU277 3.5 14.8 1.0
N B:GLY279 3.6 13.7 1.0
CA B:GLY275 3.7 8.8 1.0
O B:HOH919 3.7 34.3 1.0
C B:GLY275 3.7 10.7 1.0
CZ B:TYR282 3.7 9.0 1.0
CA B:LEU277 3.8 15.1 1.0
CB B:ASN280 3.8 11.8 1.0
N B:ALA276 3.8 11.3 1.0
C B:LEU277 4.0 15.6 1.0
OG1 B:THR278 4.1 17.7 1.0
O B:GLY275 4.1 12.6 1.0
CA B:ASN280 4.1 9.4 1.0
C B:THR278 4.1 15.9 1.0
O B:ASN280 4.1 8.3 1.0
CA B:THR278 4.2 14.3 1.0
N B:GLY275 4.3 8.2 1.0
C B:GLY279 4.3 13.3 1.0
CG B:LEU277 4.3 16.0 1.0
CA B:GLY279 4.3 17.1 1.0
C B:ALA276 4.4 14.6 1.0
CA A:GLY86 4.4 8.8 1.0
C B:ASN280 4.5 8.2 1.0
CG B:ASN280 4.5 13.8 1.0
O A:GLY86 4.5 8.8 1.0
CD1 B:LEU277 4.7 18.8 1.0
CB B:THR278 4.7 15.2 1.0
CA B:ALA276 4.7 12.1 1.0
CD1 B:TYR282 4.8 8.4 1.0
C A:GLY86 4.8 7.3 1.0
ND2 B:ASN280 5.0 16.8 1.0

Chlorine binding site 7 out of 10 in 4fkb

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Chlorine binding site 7 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl420

b:14.0
occ:1.00
 O2 B:GOL410 3.1 14.5 1.0
O B:HOH540 3.2 11.5 1.0
O B:HOH756 3.2 65.9 1.0
NE B:ARG106 3.2 8.7 1.0
NH1 B:ARG106 3.3 10.7 1.0
C2 B:GOL410 3.8 17.7 1.0
CZ B:ARG106 3.8 9.3 1.0
C1 B:GOL410 3.9 24.1 1.0
CB B:ARG106 4.0 8.0 1.0
CG B:ARG106 4.3 8.4 1.0
CB B:PRO388 4.3 12.4 1.0
CD2 B:LEU156 4.4 11.3 1.0
CD B:ARG106 4.4 7.9 1.0
CB B:ALA8 4.5 7.5 1.0
CB B:ASN6 4.6 10.4 1.0
N B:ARG106 4.8 6.5 1.0
O1 B:GOL410 4.9 32.3 1.0
N B:ALA8 4.9 9.1 1.0
CA B:ARG106 5.0 6.1 1.0

Chlorine binding site 8 out of 10 in 4fkb

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Chlorine binding site 8 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl421

b:13.2
occ:1.00
 O B:HOH749 3.2 36.5 1.0
O B:HOH684 3.2 24.5 1.0
NH1 B:ARG227 3.2 11.0 1.0
O B:HOH871 3.3 30.7 1.0
N B:ARG214 3.4 9.0 1.0
O B:ARG214 3.4 9.3 1.0
NE2 B:GLN216 3.6 19.4 1.0
NH2 B:ARG214 3.6 42.4 0.5
NH2 B:ARG227 3.6 9.6 1.0
CA B:LEU213 3.7 8.3 1.0
O B:GLY212 3.8 15.0 1.0
CZ B:ARG227 3.9 8.8 1.0
C B:LEU213 4.0 8.6 1.0
CD2 B:LEU213 4.1 14.8 1.0
C B:ARG214 4.3 8.2 1.0
CA B:ARG214 4.4 8.8 0.5
CA B:ARG214 4.4 8.2 0.5
CD B:GLN216 4.5 17.8 1.0
CB B:LEU213 4.5 9.3 1.0
C B:GLY212 4.7 11.8 1.0
N B:LEU213 4.7 9.2 1.0
O B:HOH849 4.7 64.3 1.0
CG B:ARG214 4.7 10.9 0.5
CZ B:ARG214 4.8 27.1 0.5
CG B:GLN216 4.8 13.5 1.0
CG B:LEU213 4.9 9.7 1.0
CB B:ARG214 4.9 11.1 0.5
O B:HOH895 4.9 33.0 1.0

Chlorine binding site 9 out of 10 in 4fkb

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Chlorine binding site 9 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl422

b:15.2
occ:1.00
 O B:HOH648 3.0 26.9 1.0
O B:HOH810 3.1 32.5 1.0
N B:ASN367 3.2 7.8 1.0
O A:HOH1021 3.2 44.0 1.0
NE B:ARG34 3.4 8.2 1.0
CD B:ARG34 3.5 12.0 1.0
N B:PRO368 3.5 9.1 1.0
CZ B:ARG34 3.6 7.7 1.0
CB B:PRO366 3.6 9.9 1.0
C B:ASN367 3.6 9.7 1.0
CD B:PRO368 3.7 11.5 1.0
CA B:PRO366 3.7 8.1 1.0
CA B:PRO368 3.8 12.6 1.0
CG B:PRO368 3.8 17.5 1.0
NH1 B:ARG34 3.9 9.1 1.0
C B:PRO366 3.9 6.6 1.0
O B:ASN367 4.0 10.2 1.0
CA B:ASN367 4.0 8.4 1.0
NH2 B:ARG34 4.1 9.2 1.0
CB B:PRO368 4.2 14.7 1.0
O3 B:GOL415 4.3 27.4 1.0
CG B:ARG34 4.9 12.3 1.0

Chlorine binding site 10 out of 10 in 4fkb

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Chlorine binding site 10 out of 10 in the An Organic Solvent Tolerant Lipase 42


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of An Organic Solvent Tolerant Lipase 42 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl423

b:16.9
occ:1.00
 O B:HOH725 2.5 24.8 1.0
N B:VAL155 3.1 6.1 1.0
N B:PHE154 3.1 5.8 1.0
O B:HOH568 3.2 14.6 1.0
CD2 B:HIS153 3.4 9.0 1.0
CA B:HIS153 3.5 6.6 1.0
CD1 B:LEU126 3.6 7.0 1.0
CB B:VAL155 3.6 7.2 1.0
C B:HIS153 3.8 7.4 1.0
CG2 B:VAL155 3.8 7.3 1.0
CA B:VAL155 3.9 6.1 1.0
C B:PHE154 4.0 6.1 1.0
CB B:LEU126 4.1 6.7 1.0
O B:VAL155 4.1 7.5 1.0
CG B:HIS153 4.1 8.2 1.0
CA B:PHE154 4.1 6.0 1.0
CG1 B:VAL123 4.2 7.6 1.0
CB B:HIS153 4.3 7.9 1.0
NE2 B:HIS153 4.3 11.3 1.0
CG2 B:VAL123 4.3 7.1 1.0
CA B:VAL123 4.4 5.6 1.0
C B:VAL155 4.5 5.4 1.0
O B:HIS152 4.5 8.1 1.0
CG B:LEU126 4.5 6.0 1.0
OG1 B:THR262 4.5 9.3 1.0
CB B:VAL123 4.6 5.9 1.0
O B:VAL123 4.6 6.9 1.0
N B:HIS153 4.7 7.8 1.0
C B:HIS152 5.0 7.0 1.0
CG1 B:VAL155 5.0 7.1 1.0

Reference:

R.N.Zaliha, R.N.Rahman, M.S.Khusaini. An Organic Solvent Tolerant Lipase 42 To Be Published.
Page generated: Sun Jul 21 13:48:45 2024

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