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Chlorine in PDB 3mae: Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365

Protein crystallography data

The structure of Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365, PDB code: 3mae was solved by Y.Patskovsky, R.Toro, M.Gilmore, J.M.Sauder, S.K.Burley, S.C.Almo, New Yorksgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 110.221, 173.008, 131.061, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 (pdb code 3mae). 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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365, PDB code: 3mae:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3mae

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Chlorine binding site 1 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:54.3
occ:1.00
 N A:HIS211 3.2 35.4 1.0
O A:ILE209 3.4 42.4 1.0
O A:HOH69 3.4 65.9 1.0
ND1 A:HIS211 3.6 35.8 1.0
NZ A:LYS206 3.6 48.5 1.0
CB A:HIS211 3.6 31.2 1.0
CD A:LYS206 3.7 45.8 1.0
O A:LYS206 3.8 48.2 1.0
CE C:LYS206 3.8 38.4 1.0
O2 A:GOL427 3.8 73.9 1.0
CG A:HIS211 3.9 33.1 1.0
CD C:LYS206 4.0 42.2 1.0
CA A:HIS211 4.0 33.5 1.0
NZ C:LYS206 4.1 47.5 1.0
CE A:LYS206 4.1 42.4 1.0
CA A:PRO210 4.1 34.7 1.0
CG C:LYS206 4.1 37.8 1.0
C A:PRO210 4.1 35.2 1.0
C A:ILE209 4.4 40.1 1.0
C2 A:GOL427 4.5 79.3 1.0
O A:HIS211 4.5 33.2 1.0
CB C:LYS206 4.6 36.6 1.0
O B:HOH73 4.6 47.5 1.0
CE1 A:HIS211 4.6 35.4 1.0
C A:LYS206 4.7 44.4 1.0
N A:PRO210 4.8 35.7 1.0
C A:HIS211 4.8 34.5 1.0
CA A:LYS206 4.9 41.4 1.0
C3 A:GOL427 5.0 80.5 1.0
CG A:LYS206 5.0 41.4 1.0

Chlorine binding site 2 out of 9 in 3mae

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Chlorine binding site 2 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl428

b:69.1
occ:1.00
 NE2 A:GLN357 3.4 46.9 1.0
OG A:SER344 3.4 53.2 1.0
CL B:CL426 4.1 70.0 1.0
O A:MET345 4.2 39.4 1.0
O B:TRP213 4.3 33.7 1.0
CB B:ALA212 4.4 29.1 1.0
CD A:GLN357 4.5 44.8 1.0
CA A:GLY346 4.6 36.8 1.0
CG2 A:THR336 4.6 40.0 1.0
C A:MET345 4.7 40.5 1.0
CA B:GLY391 4.7 43.8 1.0
O1 A:GOL426 4.7 77.6 1.0
OE1 A:GLN357 4.7 60.2 1.0
CB A:SER344 4.8 36.6 1.0
N B:TRP213 4.8 33.3 1.0
N B:GLY391 4.8 43.5 1.0
CG B:MET214 4.9 48.6 1.0
N A:GLY346 4.9 37.5 1.0
ND2 A:ASN334 4.9 55.0 1.0
NE2 B:HIS386 5.0 52.2 1.0

Chlorine binding site 3 out of 9 in 3mae

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Chlorine binding site 3 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl430

b:66.2
occ:1.00
 N A:GLY391 3.2 32.9 1.0
ND2 C:ASN334 3.3 53.6 1.0
O2 C:GOL425 3.4 76.8 1.0
CA A:GLY391 3.8 29.2 1.0
CL C:CL427 3.9 69.6 1.0
NE2 A:HIS386 3.9 54.2 1.0
CB A:ASP390 4.1 42.9 1.0
C A:ASP390 4.3 37.0 1.0
CE1 A:HIS386 4.3 53.1 1.0
CA A:ASP390 4.3 40.7 1.0
CD1 C:LEU289 4.4 86.0 1.0
O3 C:GOL425 4.4 71.5 1.0
CG C:ASN334 4.5 51.1 1.0
C3 C:GOL425 4.5 78.4 1.0
C2 C:GOL425 4.6 77.5 1.0
CE2 C:PHE339 4.9 56.1 1.0
OD1 C:ASN334 4.9 67.1 1.0
CD2 C:LEU289 4.9 88.0 1.0
C A:GLY391 5.0 34.3 1.0

Chlorine binding site 4 out of 9 in 3mae

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Chlorine binding site 4 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1

b:56.5
occ:1.00
 NZ A:LYS206 3.0 48.5 1.0
O B:HOH72 3.1 53.2 1.0
N B:HIS211 3.1 38.0 1.0
O B:ILE209 3.2 40.4 1.0
O2 A:GOL427 3.4 73.9 1.0
ND1 B:HIS211 3.5 32.8 1.0
NZ B:LYS206 3.6 44.5 1.0
CB B:HIS211 3.6 34.1 1.0
CD B:LYS206 3.8 42.0 1.0
CG B:HIS211 3.9 36.1 1.0
CE A:LYS206 3.9 42.4 1.0
CA B:PRO210 3.9 39.8 1.0
CA B:HIS211 3.9 35.0 1.0
C B:PRO210 4.0 38.1 1.0
O B:LYS206 4.0 49.7 1.0
CG A:LYS206 4.0 41.4 1.0
CD A:LYS206 4.2 45.8 1.0
CE B:LYS206 4.3 44.1 1.0
C B:ILE209 4.3 41.5 1.0
O B:HIS211 4.4 35.7 1.0
O B:HOH73 4.4 47.5 1.0
CE1 B:HIS211 4.5 33.0 1.0
CB A:LYS206 4.6 39.0 1.0
N B:PRO210 4.6 41.7 1.0
C B:HIS211 4.7 34.8 1.0
C2 A:GOL427 4.7 79.3 1.0
O3 A:GOL427 4.9 79.7 1.0
C B:LYS206 5.0 47.3 1.0
CD2 B:HIS211 5.0 31.6 1.0

Chlorine binding site 5 out of 9 in 3mae

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Chlorine binding site 5 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl426

b:70.0
occ:1.00
 N B:GLY391 3.2 43.5 1.0
ND2 A:ASN334 3.5 55.0 1.0
NE2 B:HIS386 3.7 52.2 1.0
O2 A:GOL426 3.8 71.7 1.0
CA B:GLY391 3.9 43.8 1.0
CB B:ASP390 4.0 48.8 1.0
CL A:CL428 4.1 69.1 1.0
C B:ASP390 4.2 44.4 1.0
CD1 A:LEU289 4.2 95.9 1.0
CA B:ASP390 4.3 45.7 1.0
CE1 B:HIS386 4.3 54.4 1.0
O1 A:GOL426 4.3 77.6 1.0
CG A:ASN334 4.7 52.7 1.0
C1 A:GOL426 4.7 75.9 1.0
CD2 A:LEU289 4.8 86.6 1.0
C2 A:GOL426 4.8 74.5 1.0
CD2 B:HIS386 4.8 47.2 1.0
CE2 A:PHE339 4.9 62.3 1.0

Chlorine binding site 6 out of 9 in 3mae

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Chlorine binding site 6 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl427

b:74.2
occ:1.00
 NE2 B:GLN357 3.4 46.7 1.0
OG B:SER344 3.5 44.9 0.5
CL B:CL428 3.9 68.2 1.0
O3 B:GOL425 4.0 67.9 1.0
O B:MET345 4.2 39.8 1.0
CB C:ALA212 4.4 30.8 1.0
CA B:GLY346 4.4 35.8 1.0
O C:TRP213 4.4 31.1 1.0
CG2 B:THR336 4.5 43.8 1.0
C3 B:GOL425 4.5 77.7 1.0
NE2 C:HIS386 4.6 44.9 1.0
CD B:GLN357 4.7 50.5 1.0
C B:MET345 4.7 38.6 1.0
CB B:SER344 4.8 30.9 0.5
CA C:GLY391 4.8 39.6 1.0
CB B:SER344 4.8 33.9 0.5
N C:GLY391 4.8 42.3 1.0
N B:GLY346 4.8 34.1 1.0
ND2 B:ASN334 4.9 63.3 1.0

Chlorine binding site 7 out of 9 in 3mae

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Chlorine binding site 7 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl428

b:68.2
occ:1.00
 N C:GLY391 3.4 42.3 1.0
ND2 B:ASN334 3.5 63.3 1.0
NE2 C:HIS386 3.6 44.9 1.0
C1 B:GOL425 3.7 75.6 1.0
CL B:CL427 3.9 74.2 1.0
CE1 C:HIS386 3.9 54.9 1.0
CB C:ASP390 4.0 45.6 1.0
CD1 B:LEU289 4.1 89.0 1.0
CA C:GLY391 4.2 39.6 1.0
C3 B:GOL425 4.2 77.7 1.0
CA C:ASP390 4.3 45.3 1.0
C C:ASP390 4.3 43.3 1.0
O1 B:GOL425 4.4 77.7 1.0
O3 B:GOL425 4.4 67.9 1.0
C2 B:GOL425 4.4 77.3 1.0
CD2 B:LEU289 4.5 91.5 1.0
CG B:ASN334 4.6 56.2 1.0
CD2 C:HIS386 4.9 45.5 1.0
OD1 B:ASN334 5.0 63.7 1.0
CG B:LEU289 5.0 92.0 1.0

Chlorine binding site 8 out of 9 in 3mae

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Chlorine binding site 8 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1

b:53.6
occ:1.00
 N C:HIS211 3.2 33.3 1.0
NZ C:LYS206 3.3 47.5 1.0
O C:ILE209 3.3 45.0 1.0
O1 A:GOL427 3.4 75.4 1.0
ND1 C:HIS211 3.6 32.4 1.0
CD B:LYS206 3.6 42.0 1.0
CB C:HIS211 3.6 27.4 1.0
CE B:LYS206 3.7 44.1 1.0
CD C:LYS206 3.8 42.2 1.0
NZ B:LYS206 3.8 44.5 1.0
CG C:HIS211 4.0 32.7 1.0
CA C:HIS211 4.0 31.5 1.0
O C:LYS206 4.0 44.0 1.0
CA C:PRO210 4.0 37.8 1.0
O2 A:GOL427 4.1 73.9 1.0
C1 A:GOL427 4.1 78.0 1.0
CG B:LYS206 4.1 45.1 1.0
C C:PRO210 4.1 34.4 1.0
CE C:LYS206 4.1 38.4 1.0
C2 A:GOL427 4.2 79.3 1.0
O B:HOH73 4.3 47.5 1.0
C C:ILE209 4.4 40.9 1.0
O C:HIS211 4.4 36.1 1.0
CE1 C:HIS211 4.6 39.3 1.0
CB B:LYS206 4.7 43.5 1.0
C C:HIS211 4.7 33.8 1.0
N C:PRO210 4.7 40.7 1.0
C C:LYS206 5.0 43.9 1.0

Chlorine binding site 9 out of 9 in 3mae

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Chlorine binding site 9 out of 9 in the Crystal Structure of Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365


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 Probable Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl427

b:69.6
occ:1.00
 NE2 C:GLN357 3.4 46.6 1.0
CL A:CL430 3.9 66.2 1.0
O3 C:GOL425 3.9 71.5 1.0
O C:MET345 4.1 38.2 1.0
CB A:ALA212 4.3 28.4 1.0
O A:TRP213 4.4 29.1 1.0
CA C:GLY346 4.5 32.8 1.0
CG2 C:THR336 4.6 39.5 1.0
CD C:GLN357 4.7 47.5 1.0
CA A:GLY391 4.7 29.2 1.0
NE2 A:HIS386 4.7 54.2 1.0
ND2 C:ASN334 4.7 53.6 1.0
CB C:SER344 4.7 32.3 1.0
C C:MET345 4.7 35.3 1.0
C3 C:GOL425 4.7 78.4 1.0
N A:GLY391 4.7 32.9 1.0
CD2 A:HIS386 4.9 50.8 1.0
N C:GLY346 5.0 34.7 1.0

Reference:

Y.Patskovsky, R.Toro, M.Gilmore, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of A Catalytic Domain of Dihydrolipoamide Acetyltransferase From Listeria Monocytogenes 4B F2365 To Be Published.
Page generated: Sun Jul 21 00:04:31 2024

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