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Chlorine in PDB 4q3o: Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library

Protein crystallography data

The structure of Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library, PDB code: 4q3o was solved by P.J.Stogios, X.Xu, H.Cui, M.Alcaide, M.Ferrer, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.72 / 1.74
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 189.454, 131.397, 112.441, 90.00, 103.55, 90.00
R / Rfree (%) 14.5 / 18.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library (pdb code 4q3o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library, PDB code: 4q3o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4q3o

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Chlorine binding site 1 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:45.8
occ:0.85
 O A:HOH859 2.3 55.4 1.0
OG A:SER194 2.6 18.4 1.0
N A:ALA128 3.0 11.3 1.0
N A:GLY127 3.0 17.3 1.0
CB A:SER194 3.2 16.4 1.0
O A:HOH889 3.5 56.1 1.0
CA A:GLY127 3.6 16.5 1.0
C A:GLY127 3.7 14.6 1.0
O A:HOH813 3.7 47.0 1.0
CA A:ALA128 3.8 11.8 1.0
NE2 A:HIS320 3.9 14.9 1.0
C A:GLY126 4.1 15.0 1.0
CB A:ALA128 4.2 17.8 1.0
N A:ALA195 4.3 8.9 1.0
CA A:GLY126 4.5 11.8 1.0
CA A:SER194 4.6 9.6 1.0
O A:GLY127 4.8 13.5 1.0
CD2 A:HIS320 4.8 16.1 1.0
CE1 A:HIS320 4.8 11.2 1.0
CB A:ALA195 4.9 8.6 1.0
C A:SER194 5.0 7.2 1.0

Chlorine binding site 2 out of 10 in 4q3o

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Chlorine binding site 2 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:13.8
occ:0.99
 O A:HOH681 2.9 31.6 1.0
NH2 A:ARG304 3.0 16.3 1.0
NH2 B:ARG304 3.1 14.7 1.0
N A:LEU312 3.2 11.9 1.0
N B:LEU312 3.2 9.9 1.0
CA B:VAL311 3.7 9.6 1.0
CA A:VAL311 3.8 13.4 1.0
O A:LEU312 3.8 12.4 1.0
O B:LEU312 3.8 12.5 1.0
C A:VAL311 4.0 11.5 1.0
C B:VAL311 4.0 12.0 1.0
CA A:LEU312 4.1 8.7 1.0
CZ A:ARG304 4.1 22.1 1.0
CB A:LEU312 4.2 10.2 1.0
CA B:LEU312 4.2 8.1 1.0
CG1 B:VAL311 4.2 15.8 1.0
CZ B:ARG304 4.2 21.7 1.0
O A:THR310 4.2 10.6 1.0
O B:THR310 4.2 14.1 1.0
CB B:LEU312 4.3 9.5 1.0
CG1 A:VAL311 4.3 12.7 1.0
C A:LEU312 4.4 10.4 1.0
C B:LEU312 4.5 11.5 1.0
CB B:VAL311 4.5 13.3 1.0
NH1 A:ARG304 4.5 16.5 1.0
CB A:VAL311 4.5 10.2 1.0
NH1 B:ARG304 4.6 15.8 1.0
N B:VAL311 4.7 11.5 1.0
N A:VAL311 4.8 10.5 1.0
C A:THR310 4.8 11.0 1.0
C B:THR310 4.8 15.6 1.0
CG2 B:VAL311 4.9 12.2 1.0
CG2 A:VAL311 4.9 13.5 1.0

Chlorine binding site 3 out of 10 in 4q3o

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Chlorine binding site 3 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:55.7
occ:1.00
 OG B:SER194 2.6 13.4 1.0
O B:HOH920 2.8 44.1 1.0
N B:GLY127 3.0 17.0 1.0
N B:ALA128 3.1 8.3 1.0
O B:HOH874 3.2 47.4 1.0
CB B:SER194 3.3 12.7 1.0
CA B:GLY127 3.5 12.9 1.0
C B:GLY127 3.7 11.4 1.0
CA B:ALA128 4.0 11.5 1.0
NE2 B:HIS320 4.0 15.8 1.0
C B:GLY126 4.1 13.0 1.0
CB B:ALA128 4.3 16.7 1.0
N B:ALA195 4.3 10.1 1.0
O B:HOH865 4.4 37.6 1.0
CA B:GLY126 4.5 11.9 1.0
CA B:SER194 4.7 10.3 1.0
CD2 B:HIS320 4.8 11.8 1.0
O B:GLY127 4.8 11.6 1.0
CE1 B:HIS320 5.0 9.8 1.0
CB B:ALA195 5.0 10.5 1.0

Chlorine binding site 4 out of 10 in 4q3o

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Chlorine binding site 4 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:54.8
occ:1.00
 O C:HOH739 2.3 58.3 1.0
OG C:SER194 2.6 17.8 1.0
N C:GLY127 2.9 18.8 1.0
N C:ALA128 3.0 13.2 1.0
CB C:SER194 3.1 16.5 1.0
CA C:GLY127 3.4 16.5 1.0
C C:GLY127 3.6 13.5 1.0
CA C:ALA128 3.9 15.2 1.0
C C:GLY126 4.0 18.2 1.0
N C:ALA195 4.0 9.9 1.0
NE2 C:HIS320 4.1 15.6 1.0
O C:HOH901 4.2 55.7 1.0
CB C:ALA128 4.3 16.4 1.0
CA C:GLY126 4.3 12.9 1.0
CA C:SER194 4.5 9.8 1.0
CB C:ALA195 4.6 11.6 1.0
O C:HOH734 4.7 42.5 1.0
O C:GLY127 4.7 13.8 1.0
C C:SER194 4.8 8.2 1.0
CE1 C:HIS320 5.0 13.8 1.0
CA C:ALA195 5.0 13.4 1.0
CD2 C:HIS320 5.0 15.7 1.0

Chlorine binding site 5 out of 10 in 4q3o

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Chlorine binding site 5 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl407

b:13.0
occ:0.93
 NH2 F:ARG304 3.0 13.6 1.0
NH2 C:ARG304 3.1 14.5 1.0
N F:LEU312 3.2 9.3 1.0
N C:LEU312 3.2 11.4 1.0
O F:HOH685 3.2 12.4 0.4
CA C:VAL311 3.7 10.1 1.0
CA F:VAL311 3.7 9.8 1.0
O F:LEU312 3.8 13.4 1.0
O C:LEU312 3.8 12.7 1.0
C C:VAL311 3.9 9.4 1.0
C F:VAL311 4.0 9.4 1.0
O C:THR310 4.1 15.5 1.0
CA F:LEU312 4.1 9.7 1.0
CZ F:ARG304 4.1 20.4 1.0
CA C:LEU312 4.2 9.7 1.0
CB F:LEU312 4.2 11.6 1.0
CG1 C:VAL311 4.2 14.7 1.0
CZ C:ARG304 4.2 22.3 1.0
CG1 F:VAL311 4.2 13.6 1.0
O F:THR310 4.3 10.7 1.0
CB C:LEU312 4.3 11.6 1.0
C F:LEU312 4.4 13.9 1.0
C C:LEU312 4.5 12.8 1.0
CB C:VAL311 4.5 12.2 1.0
CB F:VAL311 4.5 13.0 1.0
NH1 F:ARG304 4.5 12.7 1.0
NH1 C:ARG304 4.6 16.3 1.0
N C:VAL311 4.7 12.5 1.0
C C:THR310 4.8 13.6 1.0
N F:VAL311 4.8 9.5 1.0
CG2 C:VAL311 4.8 13.8 1.0
CG2 F:VAL311 4.9 18.2 1.0
C F:THR310 4.9 12.4 1.0

Chlorine binding site 6 out of 10 in 4q3o

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Chlorine binding site 6 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:55.7
occ:0.98
 O E:HOH827 2.3 49.5 1.0
OG E:SER194 2.5 18.8 1.0
N E:GLY127 2.8 18.5 1.0
N E:ALA128 2.9 13.4 1.0
CB E:SER194 3.1 15.1 1.0
CA E:GLY127 3.5 14.6 1.0
C E:GLY127 3.6 13.5 1.0
CA E:ALA128 3.7 14.2 1.0
O E:HOH858 3.8 51.8 1.0
C E:GLY126 3.9 16.0 1.0
N E:ALA195 3.9 10.3 1.0
CA E:GLY126 4.1 17.0 1.0
CB E:ALA128 4.2 21.7 1.0
NE2 E:HIS320 4.2 13.7 1.0
CA E:SER194 4.5 10.4 1.0
CB E:ALA195 4.5 12.0 1.0
O E:GLY127 4.7 14.5 1.0
C E:SER194 4.7 11.5 1.0
CA E:ALA195 4.8 18.1 1.0
O E:GLY126 5.0 17.7 1.0

Chlorine binding site 7 out of 10 in 4q3o

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Chlorine binding site 7 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl402

b:14.4
occ:0.90
 NH2 H:ARG304 2.9 14.6 1.0
NH2 E:ARG304 3.0 20.2 1.0
O E:HOH661 3.1 15.4 0.5
O E:HOH661 3.2 19.8 0.5
N E:LEU312 3.2 11.0 1.0
N H:LEU312 3.2 12.2 1.0
CA E:VAL311 3.7 11.6 1.0
CA H:VAL311 3.8 12.4 1.0
O H:LEU312 3.8 16.6 1.0
O E:LEU312 3.9 17.6 1.0
C E:VAL311 4.0 14.2 1.0
C H:VAL311 4.0 17.2 1.0
CZ H:ARG304 4.1 20.9 1.0
O E:THR310 4.1 16.2 1.0
CA H:LEU312 4.1 16.3 1.0
CA E:LEU312 4.1 10.6 1.0
CZ E:ARG304 4.2 19.1 1.0
CB H:LEU312 4.2 14.3 1.0
CB E:LEU312 4.2 11.3 1.0
O H:THR310 4.3 14.3 1.0
CG1 E:VAL311 4.3 16.6 1.0
CG1 H:VAL311 4.4 15.1 1.0
C H:LEU312 4.4 15.1 1.0
C E:LEU312 4.5 16.4 1.0
NH1 H:ARG304 4.5 15.5 1.0
CB E:VAL311 4.5 13.4 1.0
CB H:VAL311 4.6 13.0 1.0
NH1 E:ARG304 4.6 16.7 1.0
N E:VAL311 4.7 12.0 1.0
C E:THR310 4.8 18.7 1.0
N H:VAL311 4.8 12.5 1.0
CG2 H:VAL311 4.9 18.0 1.0
C H:THR310 4.9 15.9 1.0
CG2 E:VAL311 4.9 19.2 1.0

Chlorine binding site 8 out of 10 in 4q3o

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Chlorine binding site 8 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl407

b:13.1
occ:0.91
 O D:HOH891 2.7 28.0 0.7
NH2 G:ARG304 3.0 17.6 1.0
NH2 D:ARG304 3.1 16.6 1.0
N G:LEU312 3.2 10.8 1.0
N D:LEU312 3.2 10.8 1.0
O D:HOH891 3.3 14.2 0.3
CA D:VAL311 3.7 9.9 1.0
CA G:VAL311 3.8 10.2 1.0
O G:LEU312 3.8 14.7 1.0
O D:LEU312 3.8 15.2 1.0
C G:VAL311 4.0 12.9 1.0
C D:VAL311 4.0 12.8 1.0
CZ G:ARG304 4.1 23.9 1.0
CA G:LEU312 4.1 12.7 1.0
CB G:LEU312 4.2 12.7 1.0
CA D:LEU312 4.2 9.4 1.0
CZ D:ARG304 4.2 17.8 1.0
CG1 D:VAL311 4.2 17.4 1.0
CB D:LEU312 4.2 10.7 1.0
O D:THR310 4.3 15.7 1.0
O G:THR310 4.3 13.5 1.0
CG1 G:VAL311 4.3 14.7 1.0
C G:LEU312 4.4 14.1 1.0
C D:LEU312 4.5 13.4 1.0
CB D:VAL311 4.5 14.4 1.0
NH1 G:ARG304 4.5 15.4 1.0
NH1 D:ARG304 4.5 16.0 1.0
CB G:VAL311 4.5 15.6 1.0
N G:VAL311 4.8 12.6 1.0
N D:VAL311 4.8 11.8 1.0
CG2 D:VAL311 4.8 19.8 1.0
CG2 G:VAL311 4.8 15.5 1.0
C D:THR310 4.9 15.5 1.0
C G:THR310 4.9 14.2 1.0

Chlorine binding site 9 out of 10 in 4q3o

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Chlorine binding site 9 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl401

b:49.1
occ:1.00
 OG F:SER194 2.7 19.2 1.0
O F:HOH584 2.7 36.5 1.0
O F:HOH882 3.4 51.3 1.0
N F:GLY127 3.4 16.2 1.0
CB F:SER194 3.4 15.0 1.0
N F:ALA128 3.5 11.6 1.0
NE2 F:HIS320 3.6 13.8 1.0
CA F:GLY127 3.8 17.6 1.0
O F:HOH620 4.0 43.7 1.0
C F:GLY127 4.0 12.2 1.0
CA F:ALA128 4.3 11.3 1.0
CD2 F:HIS320 4.4 12.1 1.0
CB F:ALA128 4.4 12.3 1.0
C F:GLY126 4.5 19.6 1.0
CE1 F:HIS320 4.6 12.1 1.0
N F:ALA195 4.6 8.5 1.0
CA F:GLY126 4.8 13.3 1.0
CA F:SER194 4.8 11.8 1.0

Chlorine binding site 10 out of 10 in 4q3o

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Chlorine binding site 10 out of 10 in the Crystal Structure of Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library


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 Mgs-MT1, An Alpha/Beta Hydrolase Enzyme From A Lake Matapan Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl401

b:53.7
occ:1.00
 O G:HOH783 2.4 65.2 1.0
OG G:SER194 3.0 20.4 1.0
N G:GLY127 3.2 24.9 1.0
N G:ALA128 3.2 14.2 1.0
CA G:GLY127 3.5 23.3 1.0
CB G:SER194 3.7 15.3 1.0
C G:GLY127 3.7 17.1 1.0
NE2 G:HIS320 4.0 19.0 1.0
CA G:ALA128 4.1 15.7 1.0
O G:HOH784 4.1 45.2 1.0
O G:HOH679 4.2 59.3 1.0
C G:GLY126 4.3 22.5 1.0
CB G:ALA128 4.3 19.1 1.0
CD2 G:HIS320 4.7 17.7 1.0
CA G:GLY126 4.7 17.9 1.0
O G:GLY127 4.7 16.6 1.0
N G:ALA195 4.8 11.3 1.0

Reference:

M.Alcaide, P.J.Stogios, A.Lafraya, A.Tchigvintsev, R.Flick, R.Bargiela, T.N.Chernikova, O.N.Reva, T.Hai, C.C.Leggewie, N.Katzke, V.La Cono, R.Matesanz, M.Jebbar, K.E.Jaeger, M.M.Yakimov, A.F.Yakunin, P.N.Golyshin, O.V.Golyshina, A.Savchenko, M.Ferrer. Pressure Adaptation Is Linked to Thermal Adaptation in Salt-Saturated Marine Habitats. Environ Microbiol 2014.
PubMed: 25330254
DOI: 10.1111/1462-2920.12660
Page generated: Fri Jul 26 00:17:38 2024

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