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Chlorine in PDB 4mg4: Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315

Protein crystallography data

The structure of Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315, PDB code: 4mg4 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.29 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 218.600, 91.180, 110.010, 90.00, 91.53, 90.00
R / Rfree (%) 15.8 / 18.9

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 (pdb code 4mg4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 25 binding sites of Chlorine where determined in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315, PDB code: 4mg4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 25 in 4mg4

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Chlorine binding site 1 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:19.6
occ:1.00
 OG A:SER48 3.0 21.2 1.0
N A:SER48 3.3 16.5 1.0
ND2 A:ASN24 3.4 17.8 1.0
CA A:GLY45 3.5 18.0 1.0
CA A:PRO235 3.5 17.2 1.0
N A:PRO235 3.5 17.0 1.0
CB A:SER48 3.6 18.3 1.0
C A:GLY234 3.6 17.1 1.0
CB A:PRO235 3.7 17.3 1.0
C A:GLY45 3.7 17.2 1.0
CB A:TRP47 3.8 22.5 1.0
O A:GLY234 3.8 16.2 1.0
N A:TRP47 3.8 17.0 1.0
O A:GLY45 3.9 16.4 1.0
CA A:SER48 4.1 16.9 1.0
CD A:PRO235 4.1 18.2 1.0
CA A:TRP47 4.2 19.8 1.0
N A:SER46 4.2 17.2 1.0
C A:TRP47 4.2 17.9 1.0
CB A:ASN24 4.2 16.4 1.0
CG A:ASN24 4.3 18.4 1.0
CA A:GLY234 4.3 16.1 1.0
CG A:PRO235 4.4 18.0 1.0
N A:GLY45 4.5 16.8 1.0
O A:HOH403 4.6 16.0 1.0
C A:SER46 4.8 17.6 1.0
CG A:TRP47 5.0 26.9 1.0
C A:PRO235 5.0 18.1 1.0

Chlorine binding site 2 out of 25 in 4mg4

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Chlorine binding site 2 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:23.3
occ:1.00
 O A:HOH526 3.1 26.6 1.0
O A:HOH568 3.3 27.8 1.0
N A:GLY234 3.3 17.9 1.0
ND2 A:ASN24 3.4 17.8 1.0
CB A:SER232 3.5 13.8 1.0
CA A:GLY234 3.5 16.1 1.0
OG A:SER232 3.8 17.5 1.0
O A:HOH422 4.0 14.9 1.0
CZ A:PHE188 4.1 10.7 1.0
O A:HOH423 4.2 18.5 1.0
N A:HIS233 4.3 14.1 1.0
CG A:ASN24 4.3 18.4 1.0
CE2 A:PHE188 4.4 10.4 1.0
OD1 A:ASN24 4.4 18.7 1.0
CG A:MET212 4.5 21.3 1.0
SD A:MET212 4.5 38.1 1.0
CA A:SER232 4.5 12.9 1.0
C A:HIS233 4.6 17.4 1.0
C A:GLY234 4.7 17.1 1.0
C A:SER232 4.7 13.3 1.0
O A:HOH602 4.8 31.2 1.0
O A:GLY234 4.9 16.2 1.0
O A:HOH412 5.0 12.4 1.0

Chlorine binding site 3 out of 25 in 4mg4

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Chlorine binding site 3 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:23.6
occ:1.00
 ND1 A:HIS164 2.9 17.3 1.0
O A:HOH505 3.1 31.6 1.0
N A:ARG193 3.2 15.0 1.0
N A:SER194 3.3 14.8 1.0
CD1 A:LEU192 3.7 15.5 1.0
CB A:SER194 3.8 15.8 1.0
CE1 A:HIS164 3.8 16.3 1.0
CG A:HIS164 3.8 16.7 1.0
CA A:ARG193 3.9 15.0 1.0
C A:ARG193 4.0 14.8 1.0
CB A:HIS164 4.0 16.6 1.0
CA A:LEU192 4.0 14.3 1.0
C A:LEU192 4.1 14.5 1.0
O A:GLY191 4.1 17.7 1.0
CA A:SER194 4.1 14.8 1.0
CB A:ARG193 4.2 17.3 1.0
CG2 A:THR161 4.4 27.7 1.0
CG A:LEU192 4.7 14.4 1.0
CB A:LEU192 4.9 14.4 1.0
CD1 A:LEU197 4.9 15.8 1.0
C A:GLY191 4.9 14.3 1.0
N A:LEU192 4.9 14.5 1.0
NE2 A:HIS164 5.0 17.1 1.0

Chlorine binding site 4 out of 25 in 4mg4

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Chlorine binding site 4 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:18.0
occ:1.00
 OG B:SER48 2.9 16.5 1.0
O B:HOH588 3.2 36.0 1.0
ND2 B:ASN24 3.3 17.7 1.0
N B:SER48 3.4 13.6 1.0
CA B:GLY45 3.5 14.3 1.0
CA B:PRO235 3.6 16.9 1.0
N B:PRO235 3.6 16.6 1.0
CB B:SER48 3.7 14.7 1.0
C B:GLY234 3.7 16.8 1.0
C B:GLY45 3.7 14.1 1.0
CB B:TRP47 3.8 19.9 1.0
CB B:PRO235 3.8 18.1 1.0
O B:GLY234 3.8 15.8 1.0
N B:TRP47 3.9 15.2 1.0
O B:GLY45 4.0 14.4 1.0
CD B:PRO235 4.1 18.3 1.0
CA B:SER48 4.1 13.2 1.0
CB B:ASN24 4.1 14.5 1.0
N B:SER46 4.2 13.6 1.0
CG B:ASN24 4.2 17.3 1.0
CA B:TRP47 4.2 16.7 1.0
C B:TRP47 4.2 15.6 1.0
CA B:GLY234 4.4 17.0 1.0
O B:HOH405 4.5 16.8 1.0
N B:GLY45 4.6 13.1 1.0
CG B:PRO235 4.6 17.9 1.0
C B:SER46 4.8 14.2 1.0
CG B:TRP47 4.9 24.1 1.0

Chlorine binding site 5 out of 25 in 4mg4

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Chlorine binding site 5 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:21.7
occ:1.00
 OG B:SER232 3.2 14.6 1.0
O B:HOH514 3.2 22.6 1.0
N B:GLY234 3.3 16.2 1.0
CB B:SER232 3.5 14.5 1.0
ND2 B:ASN24 3.6 17.7 1.0
CA B:GLY234 3.6 17.0 1.0
O B:HOH586 3.6 28.3 1.0
CZ B:PHE188 3.8 10.6 1.0
O B:HOH477 4.0 21.0 1.0
N B:HIS233 4.1 14.0 1.0
CE2 B:PHE188 4.1 10.6 1.0
SD B:MET212 4.2 30.5 1.0
CG B:MET212 4.2 22.2 1.0
OD1 B:ASN24 4.3 19.4 1.0
CG B:ASN24 4.4 17.3 1.0
C B:SER232 4.4 13.3 1.0
O B:HOH479 4.4 19.6 1.0
C B:HIS233 4.5 16.7 1.0
CA B:SER232 4.5 13.2 1.0
CE1 B:PHE188 4.7 10.3 1.0
C B:GLY234 4.8 16.8 1.0
CA B:HIS233 4.9 16.6 1.0

Chlorine binding site 6 out of 25 in 4mg4

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Chlorine binding site 6 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:24.3
occ:1.00
 ND1 B:HIS164 3.1 20.9 1.0
N B:ARG193 3.2 15.6 1.0
N B:SER194 3.3 14.4 1.0
CB B:HIS164 3.6 22.4 1.0
CB B:SER194 3.8 15.4 1.0
CD1 B:LEU192 3.8 17.8 1.0
CG B:HIS164 3.8 21.7 1.0
CA B:LEU192 3.9 15.5 1.0
O B:GLY191 4.0 17.4 1.0
CA B:ARG193 4.0 14.9 1.0
C B:LEU192 4.0 14.8 1.0
C B:ARG193 4.1 15.0 1.0
CA B:SER194 4.1 14.7 1.0
CE1 B:HIS164 4.2 21.4 1.0
CB B:ARG193 4.3 16.5 1.0
O B:HOH554 4.5 42.3 1.0
CD1 B:LEU197 4.5 15.0 1.0
CD2 B:PHE156 4.6 15.1 1.0
CE2 B:PHE156 4.6 15.7 1.0
CG B:LEU192 4.7 16.9 1.0
O B:HOH558 4.8 35.8 1.0
CB B:LEU192 4.8 16.1 1.0
C B:GLY191 4.9 15.5 1.0
N B:LEU192 4.9 15.5 1.0

Chlorine binding site 7 out of 25 in 4mg4

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Chlorine binding site 7 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:15.8
occ:1.00
 O C:HOH658 2.9 37.7 1.0
OG C:SER48 3.1 14.5 1.0
N C:SER48 3.3 12.3 1.0
ND2 C:ASN24 3.4 13.0 1.0
CA C:GLY45 3.4 11.9 1.0
N C:PRO235 3.6 15.3 1.0
CA C:PRO235 3.6 15.5 1.0
C C:GLY45 3.6 12.0 1.0
CB C:SER48 3.7 12.9 1.0
CB C:TRP47 3.7 18.3 1.0
C C:GLY234 3.7 15.7 1.0
CB C:PRO235 3.8 16.0 1.0
N C:TRP47 3.8 13.1 1.0
O C:GLY234 3.9 14.8 1.0
CD C:PRO235 3.9 16.3 1.0
O C:GLY45 4.0 12.0 1.0
CA C:TRP47 4.1 15.1 1.0
N C:SER46 4.1 12.5 1.0
CA C:SER48 4.1 12.5 1.0
C C:TRP47 4.2 13.5 1.0
CB C:ASN24 4.3 12.5 1.0
CG C:ASN24 4.3 13.2 1.0
CA C:GLY234 4.4 15.8 1.0
CG C:PRO235 4.5 16.1 1.0
N C:GLY45 4.6 12.0 1.0
O C:HOH406 4.7 14.2 1.0
C C:SER46 4.7 13.1 1.0
CG C:TRP47 4.9 22.1 1.0

Chlorine binding site 8 out of 25 in 4mg4

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Chlorine binding site 8 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:21.5
occ:1.00
 O C:HOH476 3.0 28.8 1.0
O C:HOH663 3.3 37.2 1.0
N C:GLY234 3.3 16.5 1.0
O C:HOH462 3.3 21.8 1.0
ND2 C:ASN24 3.4 13.0 1.0
OG C:SER232 3.6 15.1 1.0
CA C:GLY234 3.6 15.8 1.0
CB C:SER232 3.6 18.3 1.0
CZ C:PHE188 3.9 11.2 1.0
O C:HOH435 4.0 19.1 1.0
CE2 C:PHE188 4.1 10.9 1.0
O C:HOH471 4.1 20.4 1.0
CG C:ASN24 4.3 13.2 1.0
N C:HIS233 4.3 16.6 1.0
OD1 C:ASN24 4.3 13.6 1.0
SD C:MET212 4.3 29.5 1.0
C C:HIS233 4.5 18.5 1.0
CG C:MET212 4.6 20.0 1.0
C C:GLY234 4.7 15.7 1.0
C C:SER232 4.7 15.7 1.0
CA C:SER232 4.7 15.6 1.0
O C:HOH413 4.8 13.4 1.0
O C:GLY234 4.9 14.8 1.0
CE1 C:PHE188 4.9 11.4 1.0
CA C:HIS233 5.0 18.3 1.0

Chlorine binding site 9 out of 25 in 4mg4

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Chlorine binding site 9 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:29.3
occ:1.00
 ND1 C:HIS164 3.0 27.1 1.0
N C:ARG193 3.3 18.7 1.0
N C:SER194 3.4 17.8 1.0
CD1 C:LEU192 3.7 20.5 1.0
CB C:SER194 3.7 18.9 1.0
CB C:HIS164 3.8 27.6 1.0
CG C:HIS164 3.8 27.1 1.0
CA C:LEU192 4.0 18.6 1.0
CE1 C:HIS164 4.1 26.6 1.0
CA C:SER194 4.1 18.1 1.0
O C:GLY191 4.1 23.6 1.0
CA C:ARG193 4.2 18.9 1.0
C C:LEU192 4.2 17.9 1.0
C C:ARG193 4.2 18.3 1.0
CD1 C:LEU197 4.3 16.9 1.0
CD2 C:PHE156 4.3 16.2 1.0
CB C:ARG193 4.3 21.9 1.0
CE2 C:PHE156 4.4 16.4 1.0
CG C:LEU192 4.7 18.4 1.0
CB C:LEU192 4.8 18.1 1.0
OG C:SER194 5.0 21.5 1.0
C C:GLY191 5.0 19.7 1.0
N C:LEU192 5.0 18.1 1.0

Chlorine binding site 10 out of 25 in 4mg4

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Chlorine binding site 10 out of 25 in the Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315


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 A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:16.5
occ:1.00
 O D:HOH564 2.9 39.6 1.0
OG D:SER48 3.0 22.0 1.0
N D:SER48 3.3 15.2 1.0
ND2 D:ASN24 3.4 17.7 1.0
C D:GLY234 3.5 16.5 1.0
N D:PRO235 3.5 15.4 1.0
CB D:SER48 3.5 16.3 1.0
CA D:GLY45 3.5 14.4 1.0
CA D:PRO235 3.7 15.9 1.0
O D:GLY234 3.7 16.8 1.0
C D:GLY45 3.7 14.2 1.0
CB D:TRP47 3.8 17.7 1.0
CB D:PRO235 3.9 16.5 1.0
O D:GLY45 3.9 14.5 1.0
N D:TRP47 3.9 15.6 1.0
CD D:PRO235 4.0 17.2 1.0
CA D:SER48 4.0 14.8 1.0
CA D:GLY234 4.1 16.6 1.0
CA D:TRP47 4.2 16.6 1.0
CB D:ASN24 4.2 15.6 1.0
C D:TRP47 4.2 15.9 1.0
CG D:ASN24 4.2 17.9 1.0
N D:SER46 4.3 14.1 1.0
O D:HOH480 4.4 39.5 1.0
N D:GLY45 4.5 14.3 1.0
O D:HOH568 4.5 26.8 1.0
CG D:PRO235 4.5 16.6 1.0
O D:HOH401 4.6 15.5 1.0
C D:SER46 4.8 14.9 1.0
CG D:TRP47 5.0 20.9 1.0

Reference:

C.M.Lukacs, T.E.Edwards, D.Lorimer. Crystal Structure of A Putative Phosphonomutase From Burkholderia Cenocepacia J2315 To Be Published.
Page generated: Sun Jul 21 19:48:03 2024

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