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Chlorine in PDB 3m5v: Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni

Enzymatic activity of Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni

All present enzymatic activity of Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni:
4.2.1.52;

Protein crystallography data

The structure of Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni, PDB code: 3m5v was solved by Y.Kim, M.Zhou, K.Kwon, W.F.Anderson, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.06 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.360, 86.032, 198.948, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 18.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni (pdb code 3m5v). 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 Dihydrodipicolinate Synthase From Campylobacter Jejuni, PDB code: 3m5v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3m5v

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Chlorine binding site 1 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:65.6
occ:1.00
 N A:LYS280 3.5 25.6 1.0
O C:HOH913 3.5 47.9 1.0
O A:HOH529 3.7 34.3 1.0
CA A:SER279 3.9 29.5 1.0
O C:HOH1074 3.9 55.7 1.0
CB A:SER279 3.9 27.3 1.0
CG A:LYS280 4.0 42.3 1.0
C A:SER279 4.2 25.1 1.0
CB A:LYS280 4.3 33.6 1.0
CD A:LYS280 4.4 53.5 1.0
CA A:LYS280 4.5 28.5 1.0
O C:HOH663 4.8 47.6 1.0
CE A:LYS280 4.9 61.9 1.0

Chlorine binding site 2 out of 10 in 3m5v

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Chlorine binding site 2 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:50.4
occ:1.00
 O B:HOH1098 2.6 48.0 1.0
O D:HOH333 2.8 35.5 1.0
N B:GLN116 3.1 14.1 1.0
O B:HOH335 3.4 19.8 1.0
CB B:THR115 3.6 17.1 1.0
CG B:GLN116 3.7 15.2 1.0
CA B:THR115 3.8 16.8 1.0
CB B:GLN116 3.9 19.2 1.0
C B:THR115 4.0 19.1 1.0
CA B:GLN116 4.1 15.4 1.0
O B:HOH546 4.2 36.0 1.0
O D:HOH713 4.3 42.0 1.0
CG2 B:THR115 4.3 20.6 1.0
OG1 B:THR115 4.7 18.2 1.0
NE2 B:GLN116 4.7 17.1 1.0
CD B:GLN116 4.8 20.4 1.0
O D:HOH374 5.0 27.7 1.0
N B:GLN117 5.0 16.6 1.0

Chlorine binding site 3 out of 10 in 3m5v

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Chlorine binding site 3 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:80.4
occ:1.00
 NH2 B:ARG157 3.8 30.6 1.0
NH1 B:ARG157 3.8 28.4 1.0
O B:HOH1142 3.9 48.5 1.0
CD2 B:HIS181 4.0 27.2 1.0
CB B:HIS181 4.3 18.6 1.0
CZ B:ARG157 4.3 29.9 1.0
CG B:HIS181 4.4 28.6 1.0
O C:HOH830 4.5 45.1 1.0
O B:HIS181 4.6 22.1 1.0
O B:HOH1150 4.9 47.6 1.0

Chlorine binding site 4 out of 10 in 3m5v

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Chlorine binding site 4 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:68.9
occ:1.00
 ND2 B:ASN242 3.5 25.4 1.0
O B:HOH379 3.8 40.0 1.0
O B:HOH1159 3.8 48.4 1.0
ND1 C:HIS181 3.9 34.1 1.0
CE1 C:HIS181 4.1 33.9 1.0
O C:HOH1158 4.5 49.2 1.0
CG B:ASN242 4.6 22.7 1.0
OD1 B:ASN242 4.7 21.6 1.0
O B:HOH405 4.9 27.1 1.0

Chlorine binding site 5 out of 10 in 3m5v

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Chlorine binding site 5 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:54.5
occ:1.00
 N C:LYS280 3.2 20.2 0.4
N C:LYS280 3.2 20.0 0.6
O C:HOH1005 3.3 28.1 1.0
NZ C:LYS280 3.4 47.0 0.6
O C:HOH569 3.8 44.3 1.0
CA C:SER279 3.8 22.4 1.0
CB C:SER279 3.9 24.8 1.0
CG C:LYS280 3.9 26.3 0.6
CB C:LYS280 4.0 23.5 0.4
CB C:LYS280 4.0 22.8 0.6
C C:SER279 4.0 21.1 1.0
CE C:LYS280 4.1 42.1 0.6
CA C:LYS280 4.2 21.1 0.4
CA C:LYS280 4.2 20.2 0.6
CD C:LYS280 4.7 32.9 0.6
CE C:LYS280 5.0 37.6 0.4

Chlorine binding site 6 out of 10 in 3m5v

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Chlorine binding site 6 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:50.6
occ:1.00
 O C:HOH1105 2.7 56.9 1.0
O A:HOH584 2.7 38.2 1.0
O C:HOH1072 2.9 52.5 1.0
N C:GLN116 3.2 18.1 1.0
O C:HOH321 3.4 20.6 1.0
CG C:GLN116 3.7 19.6 1.0
CB C:THR115 3.7 24.6 1.0
CA C:THR115 3.8 20.8 1.0
CB C:GLN116 4.0 16.7 1.0
C C:THR115 4.0 18.9 1.0
O C:HOH377 4.1 39.5 1.0
CA C:GLN116 4.2 21.6 1.0
O A:HOH396 4.2 36.4 1.0
CG2 C:THR115 4.4 23.3 1.0
O A:HOH384 4.7 25.9 1.0
OG1 C:THR115 4.8 22.5 1.0
NE2 C:GLN116 4.8 23.2 1.0
CD C:GLN116 4.8 21.2 1.0
O A:HOH1073 4.9 57.0 1.0

Chlorine binding site 7 out of 10 in 3m5v

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Chlorine binding site 7 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:78.8
occ:1.00
 OG C:SER277 3.3 41.9 1.0
N C:SER277 3.4 20.9 1.0
O C:HOH341 3.5 27.3 1.0
O A:HOH547 3.6 31.4 1.0
O A:HOH611 3.7 38.9 1.0
CB C:SER277 3.7 35.7 1.0
CB C:CYS276 4.2 20.8 1.0
CA C:SER277 4.2 22.6 1.0
O C:HOH331 4.2 21.2 1.0
O C:HOH1036 4.2 48.9 1.0
CA C:CYS276 4.2 21.9 1.0
C C:CYS276 4.3 23.9 1.0

Chlorine binding site 8 out of 10 in 3m5v

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Chlorine binding site 8 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:65.8
occ:1.00
 N D:LYS280 3.4 24.3 0.5
N D:LYS280 3.4 24.0 0.5
O D:HOH831 3.5 33.1 1.0
O D:HOH910 3.8 47.6 1.0
NZ D:LYS280 3.9 50.1 0.5
CA D:SER279 3.9 27.1 1.0
CB D:LYS280 4.0 30.0 0.5
CB D:SER279 4.0 28.9 1.0
CB D:LYS280 4.0 29.8 0.5
C D:SER279 4.2 26.4 1.0
CE D:LYS280 4.3 47.8 0.5
CA D:LYS280 4.3 27.8 0.5
CA D:LYS280 4.3 27.9 0.5
CG D:LYS280 4.4 34.1 0.5
O B:HOH319 4.7 55.2 1.0
CD D:LYS280 4.8 40.4 0.5

Chlorine binding site 9 out of 10 in 3m5v

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Chlorine binding site 9 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:79.3
occ:1.00
 NH1 D:ARG60 3.1 43.4 0.6
NH2 D:ARG60 3.7 38.8 0.6
CD2 D:PHE95 3.8 35.1 1.0
CE1 D:HIS56 3.8 42.4 0.5
CZ D:ARG60 3.9 42.0 0.6
NE2 D:HIS56 3.9 43.3 0.5
CE2 D:PHE95 4.1 36.4 1.0
NE2 D:HIS99 4.4 32.3 1.0
OE2 D:GLU98 4.4 39.0 0.5
NE2 D:HIS56 4.5 43.0 0.5
CD2 D:HIS56 4.7 40.0 0.5
ND1 D:HIS56 4.8 39.1 0.5
CE1 D:HIS56 4.9 43.1 0.5

Chlorine binding site 10 out of 10 in 3m5v

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Chlorine binding site 10 out of 10 in the Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni


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 Dihydrodipicolinate Synthase From Campylobacter Jejuni within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:50.1
occ:1.00
 O D:HOH1084 2.6 46.3 1.0
O B:HOH453 3.0 39.2 1.0
N D:GLN116 3.2 16.0 1.0
O D:HOH332 3.7 18.1 1.0
CG D:GLN116 3.7 20.0 1.0
CB D:THR115 3.7 19.9 1.0
CA D:THR115 3.8 17.8 1.0
C D:THR115 4.0 17.1 1.0
O B:HOH361 4.0 35.9 1.0
CB D:GLN116 4.0 21.1 1.0
O D:HOH537 4.1 39.9 1.0
CA D:GLN116 4.2 17.4 1.0
CG2 D:THR115 4.3 23.4 1.0
NE2 D:GLN116 4.6 18.4 1.0
CD D:GLN116 4.7 19.6 1.0
OG1 D:THR115 4.8 20.9 1.0
O B:HOH364 4.9 26.0 1.0
O D:HOH729 5.0 40.1 1.0

Reference:

Y.Kim, M.Zhou, K.Kwon, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Dihydrodipicolinate Synthase From Campylobacter Jejuni To Be Published.
Page generated: Sat Dec 12 09:54:26 2020

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