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Iron 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:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1lgt

Go back to Iron Binding Sites List in 1lgt
Iron 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 Iron with other atoms in the Fe 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:Fe500

b:16.8
occ:1.00
 OE1 A:GLU260 2.1 16.8 1.0
OA2 A:BP3300 2.1 16.6 1.0
OA3 A:BP3300 2.3 17.0 1.0
NE2 A:HIS210 2.3 15.2 1.0
NE2 A:HIS146 2.3 16.2 1.0
O A:HOH9111 2.5 25.9 1.0
CA2 A:BP3300 3.0 18.0 1.0
CA3 A:BP3300 3.0 16.5 1.0
CE1 A:HIS210 3.0 15.5 1.0
CE1 A:HIS146 3.1 16.9 1.0
CD A:GLU260 3.2 17.8 1.0
CD2 A:HIS146 3.4 16.4 1.0
CD2 A:HIS210 3.4 14.3 1.0
OH A:TYR250 3.7 17.3 1.0
OE2 A:GLU260 3.8 18.5 1.0
NE2 A:HIS195 4.1 19.7 1.0
O A:HOH9112 4.1 25.1 1.0
ND1 A:HIS210 4.2 15.2 1.0
ND1 A:HIS146 4.3 15.3 1.0
CA1 A:BP3300 4.3 16.8 1.0
CA4 A:BP3300 4.4 16.0 1.0
CG A:GLU260 4.4 15.2 1.0
CE2 A:TYR250 4.4 15.7 1.0
CG2 A:VAL148 4.4 21.4 1.0
CG A:HIS210 4.5 15.1 1.0
CB A:GLU260 4.5 14.8 1.0
CB A:MET212 4.5 15.9 1.0
CG A:HIS146 4.5 16.2 1.0
CZ A:TYR250 4.5 16.8 1.0
NE2 A:HIS241 4.6 15.6 1.0
CG A:MET212 4.7 15.9 1.0
CL1 A:BP3300 4.9 11.7 1.0
CB1 A:BP3300 5.0 18.4 1.0
CE1 A:HIS195 5.0 21.0 1.0
CD2 A:HIS195 5.0 21.4 1.0

Iron binding site 2 out of 2 in 1lgt

Go back to Iron Binding Sites List in 1lgt
Iron 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 Iron with other atoms in the Fe 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:Fe501

b:20.5
occ:0.50
 O A:HOH9197 2.2 38.0 1.0
O A:HOH9198 2.2 33.0 1.0
O A:HOH9196 2.2 36.9 1.0
O A:HOH9199 2.3 38.7 1.0
O A:HOH9200 2.3 37.5 1.0
NE2 A:HIS189 2.4 17.9 1.0
CE1 A:HIS189 3.3 19.4 1.0
CD2 A:HIS189 3.4 18.2 1.0
CB A:GLN168 4.0 22.3 1.0
CG A:GLN168 4.1 25.7 1.0
O A:HOH9110 4.4 34.6 1.0
ND1 A:HIS189 4.4 17.7 1.0
O A:HOH8027 4.5 26.0 1.0
CG A:HIS189 4.5 16.6 1.0
O A:ASP269 4.6 40.9 1.0
CD A:ARG270 4.7 53.2 0.1

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: Sat Aug 3 09:47:12 2024

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