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Chlorine in PDB 3t88: Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa

Enzymatic activity of Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa

All present enzymatic activity of Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa:
4.1.3.36;

Protein crystallography data

The structure of Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa, PDB code: 3t88 was solved by H.-J.Li, X.Li, N.Liu, H.Zhang, J.Truglio, S.Mishra, C.Kisker, M.Garcia-Diaz, P.Tonge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.80 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 140.493, 141.791, 89.122, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 19.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa (pdb code 3t88). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa, PDB code: 3t88:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3t88

Go back to Chlorine Binding Sites List in 3t88
Chlorine binding site 1 out of 6 in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa


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 Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:22.0
occ:1.00
 O A:HOH1190 2.6 23.2 1.0
NE2 A:GLN154 3.2 14.1 1.0
N A:GLY156 3.2 17.5 1.0
CA A:GLY132 3.3 19.7 1.0
N A:THR155 3.3 17.4 1.0
CZ3 A:TRP184 3.7 14.9 1.0
CA A:GLY156 3.7 17.9 1.0
CH2 A:TRP184 3.7 14.5 1.0
C A:GLY132 3.8 20.3 1.0
C47 A:S0N300 3.9 29.2 1.0
CB A:GLN154 3.9 15.9 1.0
N48 A:S0N300 4.0 29.6 1.0
OG1 A:THR155 4.0 21.6 1.0
C A:THR155 4.0 20.2 1.0
CA A:GLN154 4.1 15.7 1.0
CA A:THR155 4.2 20.2 1.0
C A:GLN154 4.2 16.6 1.0
N A:GLY133 4.2 20.4 1.0
CD A:GLN154 4.4 14.9 1.0
N A:GLY132 4.4 16.6 1.0
OG A:SER161 4.4 24.2 1.0
O A:GLY132 4.5 16.7 1.0
C49 A:S0N300 4.5 25.8 1.0
O54 A:S0N300 4.7 29.4 1.0
CB A:THR155 4.7 21.5 1.0
CG A:GLN154 4.7 14.6 1.0
CE3 A:TRP184 4.8 14.6 1.0
O50 A:S0N300 4.9 22.7 1.0
CZ2 A:TRP184 4.9 14.2 1.0

Chlorine binding site 2 out of 6 in 3t88

Go back to Chlorine Binding Sites List in 3t88
Chlorine binding site 2 out of 6 in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa


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 Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:20.9
occ:1.00
 O B:HOH1191 2.6 25.3 1.0
N B:GLY156 3.1 16.5 1.0
NE2 B:GLN154 3.1 14.1 1.0
N B:THR155 3.3 14.6 1.0
CA B:GLY132 3.3 18.7 1.0
CZ3 B:TRP184 3.6 16.4 1.0
CA B:GLY156 3.7 17.5 1.0
CH2 B:TRP184 3.7 16.6 1.0
N48 B:S0N400 3.8 27.2 1.0
C B:GLY132 3.9 18.7 1.0
CB B:GLN154 3.9 15.6 1.0
C47 B:S0N400 3.9 25.7 1.0
OG1 B:THR155 4.0 20.9 1.0
C B:THR155 4.0 18.8 1.0
CA B:GLN154 4.0 14.2 1.0
C B:GLN154 4.2 14.5 1.0
CA B:THR155 4.2 17.7 1.0
N B:GLY133 4.3 17.1 1.0
CD B:GLN154 4.3 18.4 1.0
OG B:SER161 4.4 18.6 0.8
O B:GLY132 4.5 15.5 1.0
N B:GLY132 4.5 17.2 1.0
C49 B:S0N400 4.5 24.7 1.0
CG B:GLN154 4.7 12.6 1.0
CB B:THR155 4.7 19.5 1.0
CE3 B:TRP184 4.7 18.1 1.0
C52 B:S0N400 4.9 31.2 1.0
O54 B:S0N400 4.9 26.9 1.0
CZ2 B:TRP184 4.9 14.9 1.0
O50 B:S0N400 5.0 18.9 1.0

Chlorine binding site 3 out of 6 in 3t88

Go back to Chlorine Binding Sites List in 3t88
Chlorine binding site 3 out of 6 in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa


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 Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:20.2
occ:1.00
 O C:HOH1192 2.9 20.1 1.0
NE2 C:GLN154 3.1 13.2 1.0
N C:GLY156 3.1 16.6 1.0
N C:THR155 3.3 16.2 1.0
CA C:GLY132 3.3 18.7 1.0
CZ3 C:TRP184 3.6 14.1 1.0
CH2 C:TRP184 3.7 14.2 1.0
CA C:GLY156 3.7 17.4 1.0
C C:GLY132 3.8 17.6 1.0
N48 C:S0N500 3.9 24.6 1.0
C47 C:S0N500 3.9 27.4 1.0
OG1 C:THR155 3.9 20.4 1.0
CB C:GLN154 3.9 14.2 1.0
C C:THR155 4.0 18.5 1.0
CA C:GLN154 4.0 16.1 1.0
CA C:THR155 4.1 16.6 1.0
C C:GLN154 4.1 17.9 1.0
N C:GLY133 4.2 17.8 1.0
OG C:SER161 4.3 22.5 1.0
CD C:GLN154 4.3 15.1 1.0
O C:GLY132 4.4 14.3 1.0
N C:GLY132 4.4 16.2 1.0
C49 C:S0N500 4.4 23.8 1.0
CB C:THR155 4.7 18.6 1.0
CG C:GLN154 4.7 15.7 1.0
CE3 C:TRP184 4.8 13.5 1.0
O50 C:S0N500 4.8 20.3 1.0
CZ2 C:TRP184 4.8 16.3 1.0

Chlorine binding site 4 out of 6 in 3t88

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Chlorine binding site 4 out of 6 in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa


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 Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl601

b:20.5
occ:1.00
 O D:HOH1193 2.8 20.4 1.0
NE2 D:GLN154 3.1 12.3 1.0
N D:GLY156 3.1 15.6 1.0
N D:THR155 3.2 16.3 1.0
CA D:GLY132 3.3 13.8 1.0
CZ3 D:TRP184 3.7 16.3 1.0
C47 D:S0N600 3.7 25.0 1.0
CA D:GLY156 3.7 17.8 1.0
N48 D:S0N600 3.8 28.1 1.0
CH2 D:TRP184 3.8 14.9 1.0
OG1 D:THR155 3.8 21.1 1.0
C D:GLY132 3.8 14.8 1.0
CB D:GLN154 3.9 16.5 1.0
C D:THR155 4.0 19.8 1.0
CA D:GLN154 4.0 14.8 1.0
CA D:THR155 4.1 19.3 1.0
C D:GLN154 4.1 16.5 1.0
N D:GLY133 4.3 16.7 1.0
CD D:GLN154 4.3 15.3 1.0
N D:GLY132 4.4 15.3 1.0
O D:GLY132 4.4 17.1 1.0
OG D:SER161 4.4 23.8 1.0
C49 D:S0N600 4.5 21.7 1.0
CB D:THR155 4.6 21.1 1.0
CG D:GLN154 4.7 16.0 1.0
O54 D:S0N600 4.8 21.9 1.0
CE3 D:TRP184 4.8 16.0 1.0
O50 D:S0N600 5.0 17.8 1.0

Chlorine binding site 5 out of 6 in 3t88

Go back to Chlorine Binding Sites List in 3t88
Chlorine binding site 5 out of 6 in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa


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 Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl701

b:23.0
occ:1.00
 O E:HOH1194 2.7 21.8 1.0
N E:GLY156 3.0 17.6 1.0
NE2 E:GLN154 3.2 16.2 1.0
N E:THR155 3.2 16.3 1.0
CA E:GLY132 3.3 18.4 1.0
CZ3 E:TRP184 3.6 15.0 1.0
CA E:GLY156 3.7 17.0 1.0
CH2 E:TRP184 3.7 13.9 1.0
OG1 E:THR155 3.8 21.6 1.0
C E:GLY132 3.8 17.1 1.0
CB E:GLN154 3.9 15.2 1.0
C47 E:S0N700 3.9 28.3 1.0
C E:THR155 3.9 17.8 1.0
CA E:GLN154 4.0 16.2 1.0
N48 E:S0N700 4.0 32.3 1.0
CA E:THR155 4.1 19.2 1.0
C E:GLN154 4.1 18.7 1.0
N E:GLY133 4.3 18.2 1.0
CD E:GLN154 4.3 18.3 1.0
O E:GLY132 4.4 15.8 1.0
OG E:SER161 4.4 23.6 1.0
N E:GLY132 4.4 19.2 1.0
CB E:THR155 4.6 23.2 1.0
C49 E:S0N700 4.6 26.5 1.0
CG E:GLN154 4.7 17.1 1.0
CE3 E:TRP184 4.8 15.1 1.0
O54 E:S0N700 4.8 28.2 1.0
CZ2 E:TRP184 4.9 13.1 1.0
O50 E:S0N700 5.0 18.1 1.0
O E:THR155 5.0 19.6 1.0

Chlorine binding site 6 out of 6 in 3t88

Go back to Chlorine Binding Sites List in 3t88
Chlorine binding site 6 out of 6 in the Crystal Structure of Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa


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 Escherichia Coli Menb in Complex with Substrate Analogue, Osb-Ncoa within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl801

b:27.9
occ:1.00
 O F:HOH1195 2.8 21.9 1.0
N F:GLY156 3.0 20.5 1.0
NE2 F:GLN154 3.1 19.0 1.0
N F:THR155 3.2 20.2 1.0
CA F:GLY132 3.3 22.6 1.0
CA F:GLY156 3.6 23.2 1.0
CZ3 F:TRP184 3.6 18.2 1.0
CH2 F:TRP184 3.8 20.6 1.0
C F:GLY132 3.8 19.2 1.0
CB F:GLN154 3.9 21.4 1.0
C47 F:S0N800 3.9 33.1 1.0
OG1 F:THR155 3.9 25.5 1.0
C F:THR155 3.9 22.8 1.0
CA F:GLN154 4.0 20.0 1.0
N48 F:S0N800 4.1 30.2 1.0
CA F:THR155 4.1 22.7 1.0
C F:GLN154 4.1 20.7 1.0
OG F:SER161 4.3 30.7 1.0
CD F:GLN154 4.3 22.2 1.0
N F:GLY133 4.3 22.4 1.0
O F:GLY132 4.4 20.9 1.0
N F:GLY132 4.4 22.7 1.0
C49 F:S0N800 4.7 30.6 1.0
CB F:THR155 4.7 21.9 1.0
CG F:GLN154 4.7 17.6 1.0
O54 F:S0N800 4.7 33.9 1.0
CE3 F:TRP184 4.8 19.0 1.0
CZ2 F:TRP184 5.0 18.2 1.0
O50 F:S0N800 5.0 25.2 1.0

Reference:

H.J.Li, X.Li, N.Liu, H.Zhang, J.J.Truglio, S.Mishra, C.Kisker, M.Garcia-Diaz, P.J.Tonge. Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed By Menb, A Crotonase Superfamily Member. Biochemistry V. 50 9532 2011.
ISSN: ISSN 0006-2960
PubMed: 21830810
DOI: 10.1021/BI200877X
Page generated: Sat Dec 12 10:11:41 2020

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