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Mercury in PDB 1joe: Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae

Protein crystallography data

The structure of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae, PDB code: 1joe was solved by C.C.H.Chen, J.F.Parsons, K.Lim, C.Lehmann, A.Tempczyk, E.Eisenstein, O.Herzberg, Structure 2 Function Project (S2F), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.40
Space group P 42
Cell size a, b, c (Å), α, β, γ (°) 115.530, 115.530, 51.230, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 29.9

Other elements in 1joe:

The structure of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae (pdb code 1joe). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae, PDB code: 1joe:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1joe

Go back to Mercury Binding Sites List in 1joe
Mercury binding site 1 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg201

b:37.6
occ:0.50
O A:HOH216 2.3 31.7 1.0
SG A:CYS41 2.4 55.0 1.0
CB A:CYS41 3.2 35.0 1.0
O A:PHE40 3.4 53.4 1.0
CA A:CYS41 3.6 39.6 1.0
C A:PHE40 3.8 40.7 1.0
CD1 A:LEU48 3.8 34.8 1.0
N A:CYS41 3.9 45.6 1.0
CB A:GLU46 4.3 52.1 1.0
OE1 A:GLU46 4.3 30.0 1.0
CB A:PHE40 4.4 24.3 1.0
CD A:GLU46 4.4 41.8 1.0
OE2 A:GLU46 4.6 33.1 1.0
O A:ILE47 4.6 59.4 1.0
N A:ILE47 4.7 35.9 1.0
C A:ILE47 4.7 45.8 1.0
C A:GLU46 4.8 45.0 1.0
CA A:PHE40 4.8 31.8 1.0
CA A:ILE47 4.9 37.1 1.0
CG A:GLU46 4.9 47.1 1.0
O A:GLU46 5.0 62.1 1.0

Mercury binding site 2 out of 4 in 1joe

Go back to Mercury Binding Sites List in 1joe
Mercury binding site 2 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg202

b:46.8
occ:0.50
SG B:CYS41 2.4 80.8 1.0
O B:HOH213 2.7 16.1 1.0
CB B:CYS41 3.1 47.3 1.0
OE2 B:GLU46 3.2 70.0 1.0
CD B:GLU46 3.6 81.7 1.0
O B:HOH207 3.6 48.8 1.0
CA B:CYS41 3.7 42.6 1.0
N B:CYS41 4.1 41.1 1.0
CG B:GLU46 4.2 79.0 1.0
CB B:GLU46 4.2 73.8 1.0
OE1 B:GLU46 4.2 86.4 1.0
OD1 B:ASN145 4.2 71.2 1.0
CD1 B:LEU48 4.3 23.7 1.0
O B:PHE40 4.4 33.2 1.0
C B:PHE40 4.4 35.7 1.0
N B:ILE47 4.8 66.0 1.0
CB B:PHE40 4.9 39.3 1.0
C B:ILE47 5.0 57.4 1.0
O B:ILE47 5.0 53.4 1.0

Mercury binding site 3 out of 4 in 1joe

Go back to Mercury Binding Sites List in 1joe
Mercury binding site 3 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg203

b:56.0
occ:0.50
SG C:CYS41 2.4 78.0 1.0
OE1 C:GLU46 2.5 80.8 1.0
CB C:CYS41 3.1 42.0 1.0
CD C:GLU46 3.2 74.2 1.0
CA C:CYS41 3.5 46.5 1.0
CD1 C:ILE142 3.6 27.9 1.0
OE2 C:GLU46 3.8 64.8 1.0
NH2 C:ARG149 3.9 80.1 1.0
O C:PHE40 3.9 40.7 1.0
N C:CYS41 4.0 52.3 1.0
C C:PHE40 4.1 50.2 1.0
CD1 C:LEU48 4.1 19.9 1.0
CG C:GLU46 4.2 67.2 1.0
CB C:GLU46 4.5 58.3 1.0
CG1 C:ILE142 4.8 12.6 1.0
C C:CYS41 4.9 46.3 1.0

Mercury binding site 4 out of 4 in 1joe

Go back to Mercury Binding Sites List in 1joe
Mercury binding site 4 out of 4 in the Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg204

b:44.1
occ:0.50
O D:HOH237 1.8 21.1 1.0
OE2 D:GLU46 2.0 53.9 1.0
SG D:CYS41 2.4 53.1 1.0
CD D:GLU46 3.1 55.9 1.0
ND2 D:ASN145 3.1 65.7 1.0
CB D:CYS41 3.2 37.1 1.0
CA D:CYS41 3.6 35.0 1.0
CD1 D:LEU48 3.9 8.6 1.0
CG D:GLU46 3.9 49.6 1.0
CB D:GLU46 3.9 45.9 1.0
OE1 D:GLU46 3.9 62.2 1.0
N D:CYS41 4.0 38.8 1.0
CG D:ASN145 4.3 70.6 1.0
C D:PHE40 4.4 39.7 1.0
O D:ILE47 4.5 28.8 1.0
O D:PHE40 4.5 32.5 1.0
OD1 D:ASN145 4.7 70.0 1.0
C D:ILE47 4.9 42.3 1.0
C D:CYS41 4.9 33.8 1.0
NH1 D:ARG149 5.0 92.1 1.0
N D:ILE47 5.0 38.7 1.0

Reference:

C.C.H.Chen, J.F.Parsons, K.Lim, C.Lehmann, A.Tempczyk, E.Eisenstein, O.Herzberg. Crystal Structure of Autoinducer-2 Production Protein (Luxs) From Heamophilus Influenzae--A Case of Twinned Crystal To Be Published.
Page generated: Sun Dec 13 19:03:29 2020

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