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Chlorine in PDB 1lgt: Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb)

Enzymatic activity of Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb)

All present enzymatic activity of Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb):
1.13.11.39;

Protein crystallography data

The structure of Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb), PDB code: 1lgt was solved by S.Dai, J.T.Bolin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 1.70
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 122.337, 122.337, 106.947, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 23.6

Other elements in 1lgt:

The structure of Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb) also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb) (pdb code 1lgt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb), PDB code: 1lgt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1lgt

Go back to Chlorine Binding Sites List in 1lgt
Chlorine binding site 1 out of 2 in the Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb)


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 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:11.7
occ:1.00
 CL1 A:BP3300 0.0 11.7 1.0
CB2 A:BP3300 1.8 21.6 1.0
CB3 A:BP3300 2.7 23.2 1.0
CB1 A:BP3300 2.8 18.4 1.0
CA1 A:BP3300 3.2 16.8 1.0
OA2 A:BP3300 3.5 16.6 1.0
CA2 A:BP3300 3.5 18.0 1.0
CG2 A:VAL148 3.5 21.4 1.0
O A:HOH9111 3.6 25.9 1.0
CG1 A:VAL148 3.8 20.5 1.0
CZ A:PHE187 3.9 15.6 1.0
CE2 A:PHE187 3.9 16.6 1.0
CE1 A:HIS210 4.0 15.5 1.0
CB4 A:BP3300 4.0 25.5 1.0
CB6 A:BP3300 4.1 23.4 1.0
CA6 A:BP3300 4.1 16.9 1.0
CE A:MET175 4.1 31.8 1.0
CB A:VAL148 4.2 18.4 1.0
CB A:ALA198 4.5 17.1 1.0
CE2 A:PHE202 4.5 22.1 1.0
CA3 A:BP3300 4.5 16.5 1.0
CB5 A:BP3300 4.6 24.7 1.0
CZ A:PHE202 4.7 25.4 1.0
ND1 A:HIS210 4.8 15.2 1.0
FE A:FE2500 4.9 16.8 1.0
NE2 A:HIS210 4.9 15.2 1.0

Chlorine binding site 2 out of 2 in 1lgt

Go back to Chlorine Binding Sites List in 1lgt
Chlorine binding site 2 out of 2 in the Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb)


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 2,3-Dihydroxybiphenyl 1,2-Dioxygenase (Dhbd) Complexed with 2'-Cl Dihydroxybiphenyl (Dhb) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:26.3
occ:1.00
 CL1 A:BP3301 0.0 26.3 1.0
CB2 A:BP3301 1.7 28.6 1.0
CB3 A:BP3301 2.7 29.2 1.0
CB1 A:BP3301 2.8 26.2 1.0
CA1 A:BP3301 3.3 24.8 1.0
OA2 A:BP3301 3.4 26.4 1.0
CA2 A:BP3301 3.5 24.7 1.0
CD A:PRO205 3.7 21.4 1.0
CD2 A:LEU204 3.9 22.4 1.0
CB4 A:BP3301 4.0 28.9 1.0
CB6 A:BP3301 4.1 27.0 1.0
CA6 A:BP3301 4.2 24.6 1.0
CG A:PRO205 4.3 22.6 1.0
CB5 A:BP3301 4.6 29.1 1.0
CA3 A:BP3301 4.6 25.1 1.0

Reference:

S.Dai, F.H.Vaillancourt, H.Maaroufi, N.M.Drouin, D.B.Neau, V.Snieckus, J.T.Bolin, L.D.Eltis. Identification and Analysis of A Bottleneck in Pcb Biodegradation Nat.Struct.Biol. V. 12 934 2002.
ISSN: ISSN 1072-8368
PubMed: 12415290
DOI: 10.1038/NSB866
Page generated: Fri Jul 19 23:48:55 2024

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