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Chlorine in PDB 1mwq: Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine

Protein crystallography data

The structure of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine, PDB code: 1mwq was solved by M.A.Willis, W.Krajewski, V.R.Chalamasetty, P.Reddy, A.Howard, 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) 15.00 / 0.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.476, 63.317, 75.465, 90.00, 90.00, 90.00
R / Rfree (%) 10.8 / 13.2

Other elements in 1mwq:

The structure of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine also contains other interesting chemical elements:

Arsenic (As) 1 atom
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine (pdb code 1mwq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine, PDB code: 1mwq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1mwq

Go back to Chlorine Binding Sites List in 1mwq
Chlorine binding site 1 out of 6 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:11.2
occ:1.00
ZN A:ZN301 2.2 9.2 1.0
CG2 A:VAL61 3.3 9.8 1.0
NE2 A:HIS24 3.4 7.6 1.0
O A:HOH1392 3.5 32.0 1.0
CB A:SER59 3.6 9.0 0.1
CL A:CL307 3.6 11.4 1.0
CB A:SER59 3.6 9.1 0.9
CE1 A:HIS24 3.7 7.6 1.0
N A:GLY41 3.7 6.1 1.0
CL A:CL306 3.8 13.7 1.0
CD1 A:LEU28 3.9 9.0 0.5
OG A:SER59 3.9 9.5 0.1
CB A:ALA40 3.9 7.0 1.0
OG A:SER59 4.0 11.9 0.9
O A:GLY41 4.0 6.4 1.0
O A:THR60 4.0 6.7 1.0
CA A:GLY41 4.2 6.3 1.0
C A:GLY41 4.2 5.8 1.0
OH A:TYR86 4.3 12.0 1.0
C A:ALA40 4.5 5.9 1.0
CA A:ALA40 4.5 6.1 1.0
C A:THR60 4.5 5.9 1.0
N A:THR60 4.6 6.1 1.0
CD2 A:LEU28 4.6 9.7 0.5
CD2 A:LEU28 4.7 7.9 0.5
CD2 A:HIS24 4.8 7.5 1.0
CB A:VAL61 4.8 8.0 1.0
O A:HOH1608 4.8 48.5 1.0
CG A:LEU28 4.8 8.7 0.5
CA A:SER59 4.8 7.2 1.0
CG A:LEU28 4.9 8.5 0.5
CD1 A:LEU28 4.9 7.9 0.5
N A:VAL61 5.0 6.4 1.0
ND1 A:HIS24 5.0 7.1 1.0

Chlorine binding site 2 out of 6 in 1mwq

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Chlorine binding site 2 out of 6 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:13.7
occ:1.00
ZN A:ZN301 2.2 9.2 1.0
NH2 A:ARG21 3.3 12.2 0.3
CD1 A:LEU28 3.4 9.0 0.5
NE2 A:HIS24 3.5 7.6 1.0
CL A:CL307 3.6 11.4 1.0
CD2 A:LEU25 3.8 11.0 1.0
CA A:GLY41 3.8 6.3 1.0
CL A:CL305 3.8 11.2 1.0
CB B:VAL97 3.9 9.1 1.0
CD2 A:HIS24 4.0 7.5 1.0
CE1 B:PHE98 4.0 10.3 1.0
CG1 B:VAL97 4.0 10.4 1.0
N A:GLY41 4.1 6.1 1.0
CD1 B:PHE98 4.2 9.2 1.0
CZ A:ARG21 4.2 10.9 0.3
CG2 B:VAL97 4.2 10.3 1.0
NH1 A:ARG21 4.3 8.8 0.3
C A:ALA40 4.4 5.9 1.0
O A:ALA40 4.5 6.5 1.0
CB A:ALA40 4.5 7.0 1.0
CD A:PRO42 4.6 7.5 1.0
C A:GLY41 4.6 5.8 1.0
CG A:LEU28 4.6 8.7 0.5
CE1 A:HIS24 4.8 7.6 1.0
CD2 A:LEU28 4.8 9.7 0.5
N A:PRO42 4.9 6.4 1.0
CG A:LEU28 4.9 8.5 0.5

Chlorine binding site 3 out of 6 in 1mwq

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Chlorine binding site 3 out of 6 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:11.4
occ:1.00
ZN A:ZN301 2.3 9.2 1.0
OG A:SER59 3.1 11.9 0.9
NH1 A:ARG17 3.2 13.0 1.0
NH1 A:ARG21 3.3 8.8 0.3
NE2 A:HIS24 3.3 7.6 1.0
N A:PRO42 3.5 6.4 1.0
CB A:PRO42 3.6 8.2 1.0
CL A:CL306 3.6 13.7 1.0
CL A:CL305 3.6 11.2 1.0
CD A:PRO42 3.7 7.5 1.0
CA A:PRO42 3.7 6.7 1.0
C A:GLY41 3.7 5.8 1.0
CB A:SER59 3.8 9.0 0.1
NH2 A:ARG21 3.8 12.2 0.3
CB A:SER59 3.9 9.1 0.9
CZ A:ARG21 4.0 10.9 0.3
CD2 A:HIS24 4.1 7.5 1.0
CE1 A:HIS24 4.1 7.6 1.0
CG A:PRO42 4.1 9.1 1.0
O A:GLY41 4.2 6.4 1.0
CZ A:ARG17 4.2 11.5 1.0
CA A:GLY41 4.3 6.3 1.0
CE2 A:TYR80 4.3 8.0 1.0
NH2 A:ARG17 4.3 12.6 1.0
O A:HOH1406 4.4 26.4 1.0
OG A:SER59 4.8 9.5 0.1
OH A:TYR86 4.8 12.0 1.0
CA A:SER59 4.8 7.2 1.0
OH A:TYR80 5.0 9.0 1.0
N A:GLY41 5.0 6.1 1.0

Chlorine binding site 4 out of 6 in 1mwq

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Chlorine binding site 4 out of 6 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:8.6
occ:1.00
ZN B:ZN302 2.2 8.1 1.0
O B:HOH1334 3.2 12.9 1.0
CG2 B:VAL61 3.5 8.7 1.0
NE2 B:HIS24 3.5 7.5 1.0
N B:GLY41 3.6 6.3 1.0
CL B:CL310 3.7 9.6 1.0
CB B:SER59 3.7 8.4 0.9
CB B:SER59 3.7 5.1 0.1
CE1 B:HIS24 3.7 7.2 1.0
CL B:CL309 3.8 10.4 1.0
O B:GLY41 3.9 6.6 1.0
CD1 B:LEU28 3.9 9.6 1.0
CB B:ALA40 4.0 7.3 1.0
CA B:GLY41 4.0 6.5 1.0
OG B:SER59 4.0 5.9 0.1
OG B:SER59 4.0 9.1 0.9
C B:GLY41 4.0 6.4 1.0
O B:THR60 4.2 7.0 1.0
OH B:TYR86 4.2 10.4 1.0
C B:ALA40 4.4 6.0 1.0
CA B:ALA40 4.5 6.0 1.0
C B:THR60 4.7 6.3 1.0
N B:THR60 4.7 6.3 1.0
N B:PRO42 4.8 6.8 1.0
CD2 B:HIS24 4.8 7.4 1.0
O B:HOH1373 4.8 18.4 1.0
CA B:SER59 4.9 6.8 1.0
CB B:VAL61 4.9 7.1 1.0

Chlorine binding site 5 out of 6 in 1mwq

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Chlorine binding site 5 out of 6 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:10.4
occ:1.00
ZN B:ZN302 2.2 8.1 1.0
O B:HOH1450 3.4 32.0 1.0
NE2 B:HIS24 3.5 7.5 1.0
CL B:CL310 3.7 9.6 1.0
CD1 B:LEU28 3.8 9.6 1.0
CD2 B:LEU25 3.8 10.9 1.0
CG1 A:VAL97 3.8 9.7 1.0
CL B:CL308 3.8 8.6 1.0
CB A:VAL97 3.8 8.8 1.0
CA B:GLY41 3.9 6.5 1.0
CD2 B:HIS24 3.9 7.4 1.0
CE2 A:PHE98 4.1 10.3 1.0
CG2 A:VAL97 4.1 10.1 1.0
N B:GLY41 4.3 6.3 1.0
CD2 A:PHE98 4.3 9.2 1.0
CD B:PRO42 4.4 7.6 1.0
C B:GLY41 4.6 6.4 1.0
C B:ALA40 4.6 6.0 1.0
O B:ALA40 4.7 6.7 1.0
CE1 B:HIS24 4.8 7.2 1.0
N B:PRO42 4.8 6.8 1.0
CB B:ALA40 4.8 7.3 1.0

Chlorine binding site 6 out of 6 in 1mwq

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Chlorine binding site 6 out of 6 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:9.6
occ:1.00
ZN B:ZN302 2.3 8.1 1.0
OG B:SER59 3.1 9.1 0.9
NH1 B:ARG17 3.2 10.4 1.0
NE2 B:HIS24 3.4 7.5 1.0
O B:HOH1450 3.6 32.0 1.0
CB B:PRO42 3.6 8.7 1.0
N B:PRO42 3.6 6.8 1.0
CL B:CL309 3.7 10.4 1.0
CL B:CL308 3.7 8.6 1.0
CD B:PRO42 3.7 7.6 1.0
CA B:PRO42 3.8 7.0 1.0
CB B:SER59 3.9 5.1 0.1
CE2 B:TYR80 4.0 8.1 1.0
C B:GLY41 4.0 6.4 1.0
CB B:SER59 4.0 8.4 0.9
CG B:PRO42 4.1 9.4 1.0
CE1 B:HIS24 4.1 7.2 1.0
CD2 B:HIS24 4.1 7.4 1.0
CZ B:ARG17 4.2 9.4 1.0
NH2 B:ARG17 4.3 10.5 1.0
OH B:TYR86 4.3 10.4 1.0
O B:HOH1383 4.3 20.2 1.0
O B:GLY41 4.5 6.6 1.0
CA B:GLY41 4.5 6.5 1.0
CD2 B:TYR80 4.6 7.7 1.0
OG B:SER59 4.9 5.9 0.1

Reference:

M.A.Willis, F.Song, Z.Zhuang, W.Krajewski, V.R.Chalamasetty, P.Reddy, A.Howard, D.Dunaway-Mariano, O.Herzberg. Structure of Ycii From Haemophilus Influenzae (HI0828) Reveals A Ferredoxin-Like Alpha/Beta-Fold with A Histidine/Aspartate Centered Catalytic Site Proteins V. 59 648 2005.
ISSN: ISSN 0887-3585
PubMed: 15779043
DOI: 10.1002/PROT.20411
Page generated: Sat Dec 12 08:42:53 2020

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