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Chlorine in PDB 2jla: Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein

Enzymatic activity of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein

All present enzymatic activity of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein:
2.2.1.9;

Protein crystallography data

The structure of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein, PDB code: 2jla was solved by A.Dawson, P.K.Fyfe, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.05 / 2.81
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 95.830, 95.830, 463.170, 90.00, 90.00, 120.00
R / Rfree (%) 16.9 / 23.3

Other elements in 2jla:

The structure of Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein also contains other interesting chemical elements:

Manganese (Mn) 5 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein (pdb code 2jla). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein, PDB code: 2jla:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 2jla

Go back to Chlorine Binding Sites List in 2jla
Chlorine binding site 1 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1559

b:37.1
occ:1.00
 N A:SER32 2.9 17.7 1.0
OG1 A:THR78 3.0 12.0 1.0
NE2 A:GLN118 3.5 17.5 1.0
N A:ARG33 3.6 18.2 1.0
CB A:SER32 3.6 17.7 1.0
CG2 A:THR78 3.6 12.1 1.0
CA A:SER32 3.7 17.9 1.0
CB A:THR78 3.7 12.4 1.0
CA A:GLY31 3.8 17.2 1.0
C A:GLY31 3.8 17.6 1.0
OE1 A:GLN118 4.0 18.4 1.0
CD A:GLN118 4.1 17.8 1.0
C A:SER32 4.2 18.2 1.0
C7' B:TPP1557 4.2 20.2 1.0
CB A:ARG33 4.5 18.0 1.0
CA A:ARG33 4.7 17.9 1.0
O A:HOH2007 4.8 2.0 1.0
NH2 A:ARG107 4.8 22.0 1.0
OG A:SER32 5.0 18.3 1.0

Chlorine binding site 2 out of 13 in 2jla

Go back to Chlorine Binding Sites List in 2jla
Chlorine binding site 2 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1560

b:36.1
occ:1.00
 NH2 A:ARG395 3.0 20.0 1.0
N A:SER391 3.1 17.3 1.0
CB A:ASN390 3.5 16.9 1.0
NH2 A:ARG413 3.5 19.8 1.0
CA A:SER391 3.7 17.2 1.0
CB A:SER416 3.8 16.8 1.0
O A:SER416 3.9 17.0 1.0
CG A:ASN390 4.0 17.8 1.0
C A:ASN390 4.1 17.4 1.0
CA A:ASN390 4.2 17.1 1.0
CZ A:ARG395 4.3 21.0 1.0
OD1 A:ASN390 4.4 18.0 1.0
OG A:SER416 4.4 17.6 1.0
CZ A:ARG413 4.5 20.2 1.0
NE A:ARG413 4.5 20.1 1.0
S1 A:TPP1557 4.6 22.7 1.0
C2 A:TPP1557 4.6 21.9 1.0
CB A:SER391 4.7 17.1 1.0
ND2 A:ASN390 4.8 18.1 1.0
C A:SER416 4.8 16.8 1.0
CA A:SER416 4.8 16.8 1.0
C A:SER391 4.8 17.3 1.0
O A:SER391 4.8 17.3 1.0

Chlorine binding site 3 out of 13 in 2jla

Go back to Chlorine Binding Sites List in 2jla
Chlorine binding site 3 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1561

b:13.0
occ:1.00
 OE1 A:GLU505 2.6 30.1 1.0
CD A:GLU505 3.4 28.7 1.0
OE2 A:GLU505 3.5 29.6 1.0
CG A:GLU505 4.9 25.4 1.0

Chlorine binding site 4 out of 13 in 2jla

Go back to Chlorine Binding Sites List in 2jla
Chlorine binding site 4 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1559

b:20.1
occ:1.00
 OG1 B:THR78 3.0 12.8 1.0
N B:SER32 3.0 16.4 1.0
NE2 B:GLN118 3.2 18.9 1.0
N B:ARG33 3.5 16.7 1.0
CB B:SER32 3.6 16.1 1.0
CG2 B:THR78 3.6 11.5 1.0
CA B:SER32 3.7 16.5 1.0
CB B:THR78 3.8 12.2 1.0
C B:GLY31 3.9 16.0 1.0
CA B:GLY31 4.0 15.5 1.0
CD B:GLN118 4.0 19.3 1.0
OE1 B:GLN118 4.1 20.1 1.0
C B:SER32 4.1 16.7 1.0
C7' A:TPP1557 4.3 21.4 1.0
CB B:ARG33 4.4 16.7 1.0
CA B:ARG33 4.6 16.8 1.0
O B:HOH2008 4.6 2.0 1.0
OG B:SER32 5.0 16.1 1.0
NH2 B:ARG107 5.0 22.1 1.0

Chlorine binding site 5 out of 13 in 2jla

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Chlorine binding site 5 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1560

b:25.5
occ:1.00
 O D:HOH2028 3.0 3.0 1.0
O B:HOH2028 3.2 11.5 1.0
N B:ARG138 3.3 16.4 1.0
CB B:ARG138 3.7 16.7 1.0
N D:ARG138 3.7 16.9 1.0
CB B:PRO137 3.7 15.5 1.0
CB D:PRO137 3.8 15.8 1.0
CA B:PRO137 3.9 15.9 1.0
CB D:ARG138 4.0 16.8 1.0
C B:PRO137 4.1 16.1 1.0
CA B:ARG138 4.1 16.7 1.0
CA D:PRO137 4.2 16.1 1.0
C D:PRO137 4.4 16.3 1.0
CA D:ARG138 4.5 16.9 1.0
O B:ARG138 4.6 16.9 1.0
O D:ARG138 4.7 17.1 1.0
CG B:PRO109 4.8 17.8 1.0
CG B:ARG138 4.8 17.1 1.0
C B:ARG138 4.9 17.0 1.0

Chlorine binding site 6 out of 13 in 2jla

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Chlorine binding site 6 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1561

b:25.8
occ:1.00
 N B:SER391 3.0 17.3 1.0
NH2 B:ARG413 3.0 20.1 1.0
NH2 B:ARG395 3.1 22.7 1.0
CA B:SER391 3.4 17.1 1.0
CB B:ASN390 3.7 17.1 1.0
C B:ASN390 4.1 17.2 1.0
CB B:SER416 4.2 17.1 1.0
CZ B:ARG395 4.2 22.0 1.0
O B:SER416 4.2 16.6 1.0
CZ B:ARG413 4.2 18.9 1.0
CB B:SER391 4.3 16.9 1.0
CA B:ASN390 4.3 17.3 1.0
NE B:ARG395 4.4 20.9 1.0
C B:SER391 4.5 17.1 1.0
CG B:ASN390 4.5 17.2 1.0
O B:SER391 4.5 17.0 1.0
S1 B:TPP1557 4.6 22.9 1.0
C2 B:TPP1557 4.6 21.8 1.0
OG B:SER416 4.8 18.9 1.0
OD1 B:ASN390 5.0 17.5 1.0
NE B:ARG413 5.0 19.0 1.0

Chlorine binding site 7 out of 13 in 2jla

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Chlorine binding site 7 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1562

b:50.5
occ:1.00
 O B:HOH2095 2.7 11.8 1.0
O B:THR530 2.7 19.3 1.0
N B:LYS507 2.9 20.7 1.0
CA B:LEU506 3.4 21.4 1.0
CG B:LYS507 3.5 21.3 1.0
C B:THR530 3.6 19.1 1.0
C B:LEU506 3.7 21.1 1.0
CB B:THR529 3.7 19.4 1.0
CB B:LYS507 3.7 20.8 1.0
OG1 B:THR529 3.8 20.0 1.0
CA B:LYS507 3.9 20.5 1.0
CB B:LEU506 3.9 21.3 1.0
N B:THR530 4.0 19.0 1.0
O B:GLU505 4.2 22.0 1.0
CD2 B:LEU506 4.3 21.1 1.0
CA B:THR530 4.4 19.1 1.0
N B:THR531 4.4 19.1 1.0
CG2 B:THR529 4.5 18.5 1.0
OG1 B:THR531 4.5 19.0 1.0
CA B:THR531 4.6 19.1 1.0
C B:THR529 4.6 19.2 1.0
N B:LEU506 4.6 22.0 1.0
CG B:LEU506 4.8 21.7 1.0
O B:LYS507 4.8 20.4 1.0
CA B:THR529 4.8 19.6 1.0
CD B:LYS507 4.9 23.4 1.0
C B:LYS507 4.9 20.2 1.0
C B:GLU505 4.9 22.2 1.0
O B:LEU506 4.9 21.1 1.0

Chlorine binding site 8 out of 13 in 2jla

Go back to Chlorine Binding Sites List in 2jla
Chlorine binding site 8 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1559

b:37.4
occ:1.00
 N C:SER32 2.9 16.3 1.0
OG1 C:THR78 3.1 13.3 1.0
CA C:GLY31 3.6 15.8 1.0
NE2 C:GLN118 3.6 17.6 1.0
C C:GLY31 3.7 16.2 1.0
CG2 C:THR78 3.7 11.6 1.0
CA C:SER32 3.8 16.4 1.0
N C:ARG33 3.8 17.1 1.0
CB C:SER32 3.8 16.3 1.0
CB C:THR78 3.8 12.4 1.0
C7' D:TPP1557 3.9 15.7 1.0
OE1 C:GLN118 3.9 18.8 1.0
CD C:GLN118 4.0 18.0 1.0
C C:SER32 4.3 16.8 1.0
C2 D:TPP1557 4.5 16.7 1.0
N3 D:TPP1557 4.5 17.1 1.0
CB C:ARG33 4.8 17.9 1.0
CA C:ARG33 4.9 17.5 1.0
O C:GLY31 4.9 16.3 1.0

Chlorine binding site 9 out of 13 in 2jla

Go back to Chlorine Binding Sites List in 2jla
Chlorine binding site 9 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1560

b:31.1
occ:1.00
 N C:ARG138 3.1 16.0 1.0
N A:ARG138 3.3 16.5 1.0
CB A:PRO137 3.6 16.2 1.0
CB C:ARG138 3.7 16.0 1.0
CB C:PRO137 3.8 15.5 1.0
CA A:PRO137 3.9 16.2 1.0
CA C:PRO137 3.9 15.4 1.0
CB A:ARG138 3.9 16.7 1.0
C C:PRO137 4.0 15.6 1.0
CA C:ARG138 4.0 16.4 1.0
C A:PRO137 4.1 16.0 1.0
CA A:ARG138 4.2 17.0 1.0
O C:ARG138 4.5 17.1 1.0
O A:ARG138 4.8 17.4 1.0
C C:ARG138 4.8 16.9 1.0
CG C:PRO109 4.9 18.1 1.0

Chlorine binding site 10 out of 13 in 2jla

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Chlorine binding site 10 out of 13 in the Crystal Structure of E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein


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 E.Coli Mend, 2-Succinyl-5-Enolpyruvyl- 6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase - Semet Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1561

b:23.8
occ:1.00
 NH2 C:ARG413 2.6 19.0 1.0
NH2 C:ARG395 3.1 22.1 1.0
N C:SER391 3.1 18.1 1.0
CA C:SER391 3.7 17.8 1.0
CB C:ASN390 3.7 18.2 1.0
CZ C:ARG413 3.9 18.5 1.0
CB C:SER416 3.9 15.6 1.0
C C:ASN390 4.2 18.4 1.0
O C:SER416 4.2 15.5 1.0
CA C:ASN390 4.3 18.3 1.0
CZ C:ARG395 4.3 20.9 1.0
OG C:SER416 4.4 16.4 1.0
CG C:ASN390 4.4 18.5 1.0
NE C:ARG413 4.5 18.4 1.0
O C:SER391 4.6 17.8 1.0
C2 C:TPP1557 4.6 20.0 1.0
C C:SER391 4.7 17.6 1.0
S1 C:TPP1557 4.7 20.2 1.0
OD1 C:ASN390 4.7 19.9 1.0
CB C:SER391 4.7 17.7 1.0
NH1 C:ARG413 4.8 16.7 1.0
N4' C:TPP1557 4.9 18.6 1.0
NE C:ARG395 4.9 20.0 1.0

Reference:

A.Dawson, P.K.Fyfe, W.N.Hunter. Specificity and Reactivity in Menaquinone Biosynthesis: the Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3- Cyclohexadiene-1-Carboxylate Synthase). J.Mol.Biol. V. 384 1353 2008.
ISSN: ISSN 0022-2836
PubMed: 18983854
DOI: 10.1016/J.JMB.2008.10.048
Page generated: Sat Jul 20 09:02:39 2024

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