Chlorine in PDB 8h7c: Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative

Enzymatic activity of Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative

All present enzymatic activity of Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative:
3.1.1.108;

Protein crystallography data

The structure of Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative, PDB code: 8h7c was solved by K.Kurihara, K.Umezawa, A.E.Donnelly, M.H.Hecht, R.Arai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.15
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 47.986, 61.468, 128.991, 90, 90, 90
R / Rfree (%) 23.3 / 27

Other elements in 8h7c:

The structure of Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative also contains other interesting chemical elements:

Platinum (Pt) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative (pdb code 8h7c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative, PDB code: 8h7c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8h7c

Go back to Chlorine Binding Sites List in 8h7c
Chlorine binding site 1 out of 5 in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative


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 De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:43.9
occ:1.00
 PT A:PT201 2.6 30.7 0.9
ND1 A:HIS31 3.2 18.1 1.0
NH1 A:ARG27 3.5 10.5 1.0
CG A:HIS31 3.9 17.4 1.0
CE1 A:HIS31 4.0 17.6 1.0
CB A:HIS31 4.1 17.4 1.0
CZ A:ARG27 4.5 10.7 1.0
NH2 A:ARG27 4.5 10.7 1.0

Chlorine binding site 2 out of 5 in 8h7c

Go back to Chlorine Binding Sites List in 8h7c
Chlorine binding site 2 out of 5 in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative


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 De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:15.3
occ:0.30
 CL1 B:PC4201 0.0 15.3 0.3
PT B:PC4201 2.4 15.5 0.3
CL2 B:PC4201 3.4 15.4 0.3
CL4 B:PC4201 3.4 15.5 0.3
CL3 B:PC4201 4.8 15.4 0.3
CB B:HIS46 4.8 93.8 1.0
ND1 B:HIS46 4.9 100.8 1.0

Chlorine binding site 3 out of 5 in 8h7c

Go back to Chlorine Binding Sites List in 8h7c
Chlorine binding site 3 out of 5 in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative


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 De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:15.4
occ:0.30
 CL2 B:PC4201 0.0 15.4 0.3
PT B:PC4201 2.4 15.5 0.3
ND1 B:HIS46 3.1 100.8 1.0
O B:HOH314 3.3 47.0 1.0
CL3 B:PC4201 3.3 15.4 0.3
CL1 B:PC4201 3.4 15.3 0.3
CE1 B:HIS46 3.5 99.8 1.0
CG B:HIS46 4.1 97.7 1.0
C B:HIS46 4.5 97.5 1.0
NE2 B:HIS46 4.5 99.7 1.0
CB B:HIS46 4.7 93.8 1.0
CL4 B:PC4201 4.8 15.5 0.3
CD2 B:HIS46 4.8 98.2 1.0

Chlorine binding site 4 out of 5 in 8h7c

Go back to Chlorine Binding Sites List in 8h7c
Chlorine binding site 4 out of 5 in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative


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 De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:15.4
occ:0.30
 CL3 B:PC4201 0.0 15.4 0.3
PT B:PC4201 2.4 15.5 0.3
CL2 B:PC4201 3.3 15.4 0.3
CL4 B:PC4201 3.4 15.5 0.3
CE1 B:HIS46 3.9 99.8 1.0
NE2 B:HIS46 4.3 99.7 1.0
ND1 B:HIS46 4.5 100.8 1.0
CL1 B:PC4201 4.8 15.3 0.3

Chlorine binding site 5 out of 5 in 8h7c

Go back to Chlorine Binding Sites List in 8h7c
Chlorine binding site 5 out of 5 in the Crystal Structure of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative


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 De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4 (K4T) - Pt Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:15.5
occ:0.30
 CL4 B:PC4201 0.0 15.5 0.3
PT B:PC4201 2.4 15.5 0.3
CL1 B:PC4201 3.4 15.3 0.3
CL3 B:PC4201 3.4 15.4 0.3
CL2 B:PC4201 4.8 15.4 0.3

Reference:

K.Kurihara, K.Umezawa, A.E.Donnelly, B.Sperling, G.Liao, M.H.Hecht, R.Arai. Crystal Structure and Activity of A De Novo Enzyme, Ferric Enterobactin Esterase Syn-F4. Proc.Natl.Acad.Sci.Usa V. 120 81120 2023.
ISSN: ESSN 1091-6490
PubMed: 37695900
DOI: 10.1073/PNAS.2218281120
Page generated: Tue Jul 30 10:15:27 2024

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