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Chlorine in PDB 3hjb: 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.

Enzymatic activity of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.

All present enzymatic activity of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.:
5.3.1.9;

Protein crystallography data

The structure of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae., PDB code: 3hjb was solved by G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 125.661, 75.094, 127.456, 90.00, 90.21, 90.00
R / Rfree (%) 12.7 / 15.1

Other elements in 3hjb:

The structure of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. also contains other interesting chemical elements:

Calcium (Ca) 10 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Chlorine atom in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. (pdb code 3hjb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 27 binding sites of Chlorine where determined in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae., PDB code: 3hjb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 27 in 3hjb

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Chlorine binding site 1 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl555

b:16.0
occ:1.00
 O A:HOH2031 3.0 23.4 1.0
O A:HOH1640 3.0 19.9 1.0
O A:HOH2014 3.2 18.0 1.0
N A:ALA96 3.3 2.3 1.0
CA A:ARG95 3.7 2.6 1.0
CD1 A:TRP267 3.8 6.0 1.0
CB A:ARG95 3.9 2.9 1.0
CB A:TRP267 4.0 5.0 1.0
O A:HOH3384 4.0 37.7 1.0
C A:ARG95 4.0 2.0 1.0
CB A:ALA96 4.0 2.0 1.0
CG A:ARG95 4.2 4.2 1.0
CA A:ALA96 4.2 2.0 1.0
CG A:TRP267 4.3 5.2 1.0
N A:TRP267 4.4 5.2 1.0
CG1 A:VAL112 4.5 7.7 1.0
CA A:TRP267 4.5 5.2 1.0
O A:ALA96 4.6 2.1 1.0
CB A:ASP266 4.7 6.5 1.0
O A:ASP94 4.7 5.5 1.0
O A:HOH1315 4.8 20.6 1.0
C A:ASP266 4.8 5.2 1.0
C A:ALA96 4.8 2.4 1.0
NE1 A:TRP267 5.0 5.2 1.0
N A:ARG95 5.0 2.5 1.0

Chlorine binding site 2 out of 27 in 3hjb

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Chlorine binding site 2 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl556

b:16.0
occ:1.00
 O A:HOH1928 2.9 23.7 1.0
O A:HOH1459 3.1 23.8 1.0
ND2 A:ASN327 3.2 5.1 1.0
N A:GLN372 3.2 4.2 1.0
CB A:TYR371 3.5 3.9 1.0
O A:ASN327 3.6 8.5 1.0
CA A:TYR371 3.6 4.0 1.0
O A:HOH3668 3.7 51.4 1.0
CA A:ASN327 3.8 3.9 1.0
CB A:ASN327 3.9 3.9 1.0
O A:HOH1551 3.9 12.4 0.6
C A:TYR371 3.9 4.3 1.0
CB A:GLN372 3.9 4.1 1.0
CG A:ASN327 4.0 3.2 1.0
CG A:GLN372 4.0 3.7 1.0
C A:ASN327 4.1 5.9 1.0
CA A:GLN372 4.2 4.0 1.0
CZ2 A:TRP13 4.4 6.8 1.0
O A:HOH1566 4.4 18.0 0.6
O A:HOH1551 4.8 14.3 0.4
O A:ASN326 4.8 6.8 1.0
O A:GLN372 4.9 4.0 1.0
CG A:TYR371 4.9 3.9 1.0
CH2 A:TRP13 5.0 6.9 1.0
N A:TYR371 5.0 4.7 1.0
O A:HOH2975 5.0 33.2 1.0
O A:HOH1566 5.0 12.7 0.4

Chlorine binding site 3 out of 27 in 3hjb

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Chlorine binding site 3 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl557

b:20.8
occ:1.00
 O A:HOH1040 3.1 17.9 1.0
NZ A:LYS127 3.1 13.7 0.7
N A:GLU263 3.2 5.0 0.5
N A:GLU263 3.3 5.1 0.5
CG A:GLU263 3.4 8.5 0.5
NZ A:LYS127 3.4 7.3 0.3
O A:MET261 3.5 6.2 1.0
CD A:LYS127 3.7 11.7 0.7
CA A:PHE262 3.8 4.7 1.0
CD A:LYS127 3.8 6.1 0.3
CG2 A:VAL124 3.8 6.2 1.0
CG A:GLU263 3.8 7.8 0.5
CB A:GLU263 3.9 6.6 0.5
CE A:LYS127 3.9 13.9 0.7
CB A:GLU263 4.0 6.8 0.5
C A:PHE262 4.0 5.7 1.0
CE A:LYS127 4.0 8.1 0.3
CD A:GLU263 4.1 14.3 0.5
CA A:GLU263 4.2 5.9 0.5
CA A:GLU263 4.2 6.0 0.5
OE2 A:GLU263 4.3 14.5 0.5
C A:MET261 4.4 5.8 1.0
N A:PHE262 4.6 4.6 1.0
CG1 A:VAL124 4.6 8.7 1.0
CB A:VAL124 4.6 5.9 1.0
CD A:GLU263 4.6 13.3 0.5
OE2 A:GLU263 4.7 12.6 0.5
CB A:PHE262 4.8 6.1 1.0
CA A:VAL124 4.8 6.2 1.0
O A:HOH563 4.9 11.4 1.0
O A:HOH2541 4.9 29.7 1.0
OE1 A:GLU263 4.9 18.0 0.5
O A:GLU263 5.0 4.8 0.5

Chlorine binding site 4 out of 27 in 3hjb

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Chlorine binding site 4 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl558

b:16.9
occ:1.00
 O A:HOH598 3.1 8.2 1.0
NH2 B:ARG549 3.2 8.0 1.0
O A:HOH686 3.3 13.7 1.0
CG A:GLN419 3.4 8.0 1.0
NE2 A:GLN419 3.6 12.5 1.0
CD B:ARG549 3.6 9.6 1.0
CZ B:PHE545 3.8 4.7 1.0
CD A:GLN419 4.0 10.6 1.0
N A:GLN419 4.3 3.4 1.0
CZ B:ARG549 4.3 7.7 1.0
CB A:HIS418 4.4 3.7 1.0
O A:HOH680 4.4 8.7 1.0
NE B:ARG549 4.4 7.3 1.0
CE1 B:PHE545 4.4 5.7 1.0
CD2 A:HIS418 4.5 5.8 1.0
CB A:GLN419 4.5 5.1 1.0
CA A:GLN419 4.6 4.4 1.0
C A:HIS418 4.7 3.3 1.0
O A:HOH736 4.7 12.0 1.0
CG A:HIS418 4.8 3.4 1.0
CG B:ARG549 4.8 11.9 1.0
CE2 B:PHE545 4.8 6.4 1.0
O A:ALA408 4.9 5.2 1.0
O A:HOH670 5.0 9.6 1.0

Chlorine binding site 5 out of 27 in 3hjb

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Chlorine binding site 5 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl559

b:20.0
occ:1.00
 O A:HOH1053 3.0 19.5 1.0
O A:HOH1302 3.0 19.9 1.0
ND2 A:ASN175 3.3 6.4 1.0
O A:HOH1339 3.4 18.1 1.0
CA A:GLY287 3.6 4.2 1.0
CB A:ASN175 3.6 5.6 1.0
N A:GLY287 3.9 3.8 1.0
CG A:ASN175 4.0 5.0 1.0
CD1 A:ILE136 4.0 6.1 1.0
CG2 A:ILE136 4.1 7.1 1.0
O A:ILE286 4.1 4.5 1.0
C A:ILE286 4.1 5.0 1.0
O A:HOH1669 4.3 20.8 1.0
O A:HOH724 4.6 13.0 1.0
O A:HOH617 4.6 8.0 1.0
CG1 A:ILE136 4.8 6.4 1.0
CA A:ASN175 4.9 5.0 1.0
CB A:ILE136 4.9 5.7 1.0
O A:HOH698 5.0 8.4 1.0
C A:GLY287 5.0 4.2 1.0

Chlorine binding site 6 out of 27 in 3hjb

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Chlorine binding site 6 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl560

b:28.4
occ:1.00
 O A:HOH2711 3.0 25.1 1.0
O A:HOH2211 3.0 24.8 1.0
N A:ASP27 3.1 7.9 1.0
O A:HOH2900 3.2 30.8 1.0
CG A:MET26 3.7 12.2 0.4
CA A:MET26 3.7 9.5 0.6
CA A:MET26 3.7 9.5 0.4
O A:ASP27 3.7 5.8 1.0
C A:MET26 3.9 9.9 0.6
C A:MET26 3.9 9.4 0.4
CB A:ALA30 3.9 6.6 1.0
CA A:ASP27 4.0 7.5 1.0
CB A:ASP27 4.1 7.8 1.0
CB A:MET26 4.2 10.4 0.6
CB A:MET26 4.3 10.3 0.4
CG A:MET26 4.3 9.3 0.6
CG A:LEU31 4.3 6.2 1.0
C A:ASP27 4.3 5.6 1.0
CD2 A:LEU31 4.4 8.4 1.0
N A:LEU31 4.7 5.4 1.0
O A:HOH1644 4.8 25.8 1.0
O A:ASP25 4.9 12.4 0.7
O A:ASP25 4.9 9.0 0.3
N A:MET26 4.9 9.6 0.4
N A:MET26 4.9 10.8 0.6

Chlorine binding site 7 out of 27 in 3hjb

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Chlorine binding site 7 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl561

b:24.9
occ:1.00
 O A:HOH2855 3.0 20.2 1.0
N A:ALA452 3.4 5.8 1.0
CB A:SER451 3.8 10.2 1.0
CA A:SER451 4.0 9.9 1.0
CB A:ALA452 4.0 5.4 1.0
C A:SER451 4.2 7.1 1.0
CA A:ALA452 4.3 5.3 1.0
OG A:SER451 4.8 10.9 1.0
O A:HOH3153 4.9 26.1 1.0
O A:HOH1780 4.9 17.9 1.0
O A:HOH1828 4.9 20.9 1.0

Chlorine binding site 8 out of 27 in 3hjb

Go back to Chlorine Binding Sites List in 3hjb
Chlorine binding site 8 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl553

b:15.5
occ:1.00
 O B:HOH1188 3.1 16.9 1.0
O B:HOH1869 3.1 19.9 1.0
O B:HOH1115 3.2 12.2 1.0
N B:ALA96 3.3 2.9 1.0
CA B:ARG95 3.6 2.5 1.0
CD1 B:TRP267 3.7 5.8 1.0
CB B:ARG95 3.8 3.8 1.0
C B:ARG95 4.0 2.1 1.0
CB B:TRP267 4.0 6.1 1.0
CB B:ALA96 4.1 2.8 1.0
CG B:ARG95 4.2 3.2 1.0
CA B:ALA96 4.3 3.4 1.0
CG B:TRP267 4.3 5.8 1.0
N B:TRP267 4.3 5.4 1.0
CB B:ASP266 4.4 5.6 1.0
CA B:TRP267 4.5 6.2 1.0
O B:ALA96 4.6 2.8 1.0
O B:ASP94 4.7 4.3 1.0
C B:ASP266 4.7 5.8 1.0
CG1 B:VAL112 4.7 9.4 1.0
NE1 B:TRP267 4.9 7.0 1.0
C B:ALA96 4.9 2.6 1.0
O B:HOH2684 4.9 24.8 1.0
O B:HOH1498 4.9 15.7 1.0
N B:ARG95 4.9 4.5 1.0
O B:HOH3651 4.9 30.1 1.0

Chlorine binding site 9 out of 27 in 3hjb

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Chlorine binding site 9 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl554

b:14.8
occ:1.00
 O B:HOH731 3.0 9.5 1.0
O B:HOH1657 3.1 14.7 1.0
O B:HOH2335 3.3 28.7 1.0
O B:HOH803 3.3 12.6 1.0
ND2 B:ASN175 3.3 5.3 1.0
CA B:GLY287 3.5 5.3 1.0
CB B:ASN175 3.7 5.1 1.0
N B:GLY287 3.8 4.3 1.0
O B:ILE286 3.9 5.2 1.0
C B:ILE286 4.0 4.6 1.0
CG B:ASN175 4.0 4.6 1.0
CD1 B:ILE136 4.1 3.4 1.0
O B:HOH593 4.2 6.5 1.0
CG2 B:ILE136 4.3 3.8 1.0
O B:HOH608 4.3 7.9 1.0
O B:HOH3096 4.7 24.1 1.0
O B:HOH1313 4.8 21.9 1.0
C B:GLY287 4.9 5.1 1.0
CA B:ASN175 4.9 4.1 1.0
CA B:ILE286 5.0 4.8 1.0
CG1 B:ILE136 5.0 2.8 1.0

Chlorine binding site 10 out of 27 in 3hjb

Go back to Chlorine Binding Sites List in 3hjb
Chlorine binding site 10 out of 27 in the 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl555

b:20.4
occ:1.00
 O B:HOH2282 2.6 29.2 1.0
O B:HOH1565 3.1 24.8 1.0
N B:GLN372 3.1 3.9 1.0
ND2 B:ASN327 3.1 5.8 1.0
O B:ASN327 3.5 7.8 1.0
CB B:TYR371 3.6 4.8 1.0
CA B:TYR371 3.7 4.6 1.0
CA B:ASN327 3.8 4.0 1.0
CB B:GLN372 3.8 4.3 1.0
CB B:ASN327 3.9 4.0 1.0
O B:HOH1577 3.9 18.5 1.0
C B:TYR371 3.9 4.5 1.0
CG B:GLN372 4.0 4.6 1.0
CG B:ASN327 4.0 5.0 1.0
CA B:GLN372 4.1 3.7 1.0
C B:ASN327 4.1 5.6 1.0
C4 B:PEG561 4.3 39.9 1.0
O B:HOH2775 4.4 37.2 1.0
CZ2 B:TRP13 4.5 7.4 1.0
O4 B:PEG561 4.7 39.5 1.0
O B:ASN326 4.8 6.9 1.0
O B:GLN372 4.8 4.3 1.0
O B:HOH3434 4.8 35.9 1.0
O B:HOH3401 4.9 37.9 1.0
O B:HOH1245 4.9 18.8 1.0
CH2 B:TRP13 5.0 8.0 1.0
CG B:TYR371 5.0 5.0 1.0
N B:ASN327 5.0 4.4 1.0
C B:GLN372 5.0 4.3 1.0

Reference:

G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.5 Angstrom Crystal Structure of Glucose-6-Phosphate Isomerase From Vibrio Cholerae. To Be Published.
Page generated: Sat Jul 20 20:51:14 2024

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