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Chlorine in PDB 4ggh: Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)

Protein crystallography data

The structure of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221), PDB code: 4ggh was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 93.62 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 92.948, 209.550, 208.468, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 20.3

Other elements in 4ggh:

The structure of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) (pdb code 4ggh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221), PDB code: 4ggh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4ggh

Go back to Chlorine Binding Sites List in 4ggh
Chlorine binding site 1 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


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 An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:17.1
occ:0.51
 CL A:CL408 0.0 17.1 0.5
CL A:CL408 2.4 29.3 0.5
N A:HIS384 3.0 23.2 1.0
CA A:HIS384 3.5 17.6 1.0
CD A:PRO383 3.5 21.2 1.0
CG A:PRO383 3.6 28.0 1.0
NH2 A:ARG382 3.7 39.6 1.0
N A:PRO383 3.8 24.0 1.0
CB A:ARG382 3.9 18.4 1.0
CD A:ARG382 4.1 37.8 1.0
C A:PRO383 4.1 32.2 1.0
C A:ARG382 4.3 21.7 1.0
O A:HOH615 4.3 17.8 1.0
CA A:ARG382 4.4 21.4 1.0
N A:GLU385 4.4 13.2 1.0
CA A:PRO383 4.4 27.6 1.0
ND1 A:HIS384 4.4 22.8 1.0
CZ A:ARG382 4.5 40.0 1.0
CG A:HIS384 4.5 17.2 1.0
C A:HIS384 4.5 17.8 1.0
CB A:PRO383 4.5 25.1 1.0
CG A:ARG382 4.6 27.7 1.0
NE A:ARG382 4.6 44.6 1.0
CB A:HIS384 4.6 18.2 1.0
CE1 A:HIS384 4.9 24.0 1.0

Chlorine binding site 2 out of 7 in 4ggh

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Chlorine binding site 2 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


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 An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:29.3
occ:0.49
 CL A:CL408 0.0 29.3 0.5
CL A:CL408 2.4 17.1 0.5
O A:HOH615 2.6 17.8 1.0
N A:GLU385 2.9 13.2 1.0
N A:HIS384 3.4 23.2 1.0
CA A:HIS384 3.5 17.6 1.0
CG A:PRO383 3.6 28.0 1.0
CB A:GLU385 3.7 17.4 1.0
C A:HIS384 3.7 17.8 1.0
CG A:GLU385 3.8 28.7 1.0
CA A:GLU385 3.8 17.5 1.0
OE1 A:GLU385 3.9 53.0 1.0
CD A:GLU385 4.1 46.6 1.0
C A:PRO383 4.3 32.2 1.0
CB A:PRO383 4.3 25.1 1.0
CD A:PRO383 4.4 21.2 1.0
CA A:PRO383 4.8 27.6 1.0
N A:TRP386 4.8 13.7 1.0
N A:PRO383 4.8 24.0 1.0
O A:HIS384 4.9 17.0 1.0
C A:GLU385 4.9 13.0 1.0
OE2 A:GLU385 5.0 43.7 1.0

Chlorine binding site 3 out of 7 in 4ggh

Go back to Chlorine Binding Sites List in 4ggh
Chlorine binding site 3 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl408

b:12.4
occ:0.49
 CL C:CL408 0.0 12.4 0.5
CL C:CL408 2.4 7.9 0.5
N C:VAL85 3.3 11.6 1.0
N C:ILE86 3.3 11.3 1.0
CD D:PRO84 3.4 7.6 1.0
O C:ASN82 3.6 28.6 1.0
C C:GLY83 3.6 17.1 1.0
CB C:VAL85 3.7 10.2 1.0
CA C:GLY83 3.8 16.1 1.0
CG1 C:ILE86 3.8 14.6 1.0
CG D:PRO84 3.8 12.0 1.0
N C:PRO84 3.8 11.2 1.0
N D:VAL85 3.8 11.3 1.0
CA C:VAL85 3.8 11.1 1.0
CG2 D:VAL85 3.9 13.4 1.0
O C:GLY83 3.9 11.8 1.0
N D:PRO84 3.9 10.5 1.0
CB D:VAL85 4.0 7.2 1.0
CB C:ILE86 4.1 15.9 1.0
C C:VAL85 4.1 10.8 1.0
CD C:PRO84 4.2 10.3 1.0
CG2 C:VAL85 4.2 8.8 1.0
C C:PRO84 4.3 12.8 1.0
CA C:ILE86 4.3 13.6 1.0
CD1 C:ILE86 4.3 14.1 1.0
C D:GLY83 4.4 15.9 1.0
CA D:GLY83 4.4 19.2 1.0
C C:ASN82 4.5 23.4 1.0
CA D:VAL85 4.5 11.3 1.0
CA C:PRO84 4.6 13.4 1.0
N C:GLY83 4.7 17.6 1.0
CA D:PRO84 4.8 7.9 1.0
C D:PRO84 4.8 14.3 1.0
CG C:PRO84 4.8 8.0 1.0
CG1 C:VAL85 4.9 13.6 1.0
CB D:PRO84 4.9 12.6 1.0

Chlorine binding site 4 out of 7 in 4ggh

Go back to Chlorine Binding Sites List in 4ggh
Chlorine binding site 4 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl408

b:7.9
occ:0.51
 CL C:CL408 0.0 7.9 0.5
CL C:CL408 2.4 12.4 0.5
N D:ILE86 3.2 9.7 1.0
N D:VAL85 3.3 11.3 1.0
CD C:PRO84 3.5 10.3 1.0
C D:GLY83 3.6 15.9 1.0
O D:ASN82 3.6 28.5 1.0
CB D:VAL85 3.6 7.2 1.0
CG1 D:ILE86 3.7 15.3 1.0
CA D:VAL85 3.8 11.3 1.0
CA D:GLY83 3.8 19.2 1.0
CG C:PRO84 3.8 8.0 1.0
N D:PRO84 3.8 10.5 1.0
CG2 C:VAL85 3.8 8.8 1.0
O D:GLY83 3.9 12.4 1.0
N C:VAL85 3.9 11.6 1.0
CB D:ILE86 3.9 10.0 1.0
C D:VAL85 4.0 11.7 1.0
N C:PRO84 4.0 11.2 1.0
CD D:PRO84 4.1 7.6 1.0
CA D:ILE86 4.1 14.0 1.0
CB C:VAL85 4.2 10.2 1.0
CD1 D:ILE86 4.2 13.3 1.0
C D:PRO84 4.3 14.3 1.0
CG2 D:VAL85 4.4 13.4 1.0
C C:GLY83 4.5 17.1 1.0
CA C:GLY83 4.5 16.1 1.0
C D:ASN82 4.5 20.3 1.0
CA D:PRO84 4.6 7.9 1.0
CA C:VAL85 4.7 11.1 1.0
N D:GLY83 4.7 22.7 1.0
CG1 D:VAL85 4.7 8.3 1.0
CA C:PRO84 4.8 13.4 1.0
C C:PRO84 4.8 12.8 1.0
CG D:PRO84 4.9 12.0 1.0
CB C:PRO84 4.9 10.9 1.0

Chlorine binding site 5 out of 7 in 4ggh

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Chlorine binding site 5 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl409

b:18.1
occ:0.55
 CL C:CL409 0.0 18.1 0.6
CL C:CL409 2.4 25.9 0.5
N C:HIS384 3.3 23.7 1.0
CD C:PRO383 3.5 23.0 1.0
CA C:HIS384 3.7 20.7 1.0
NE C:ARG382 3.8 32.3 1.0
NH2 C:ARG382 3.8 37.0 1.0
CG C:PRO383 3.9 24.1 1.0
N C:PRO383 4.0 22.1 1.0
CB C:ARG382 4.0 21.6 1.0
CZ C:ARG382 4.1 34.9 1.0
O C:HOH683 4.2 22.9 1.0
C C:PRO383 4.3 31.6 1.0
N C:GLU385 4.4 12.5 1.0
C C:ARG382 4.5 20.9 1.0
CA C:ARG382 4.6 22.1 1.0
C C:HIS384 4.6 16.5 1.0
CA C:PRO383 4.6 27.5 1.0
ND1 C:HIS384 4.7 17.5 1.0
CG C:ARG382 4.7 23.6 1.0
O C:HOH903 4.7 40.7 1.0
CG C:HIS384 4.7 18.2 1.0
CD C:ARG382 4.8 30.4 1.0
CB C:HIS384 4.8 15.9 1.0
CB C:PRO383 4.9 27.0 1.0

Chlorine binding site 6 out of 7 in 4ggh

Go back to Chlorine Binding Sites List in 4ggh
Chlorine binding site 6 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl409

b:25.9
occ:0.45
 CL C:CL409 0.0 25.9 0.5
CL C:CL409 2.4 18.1 0.6
O C:HOH683 2.8 22.9 1.0
N C:GLU385 2.8 12.5 1.0
CG C:GLU385 3.5 25.2 1.0
CB C:GLU385 3.5 17.7 1.0
N C:HIS384 3.6 23.7 1.0
CA C:HIS384 3.7 20.7 1.0
C C:HIS384 3.7 16.5 1.0
CD C:GLU385 3.7 39.9 1.0
CA C:GLU385 3.8 12.6 1.0
OE2 C:GLU385 3.8 50.3 1.0
CG C:PRO383 3.8 24.1 1.0
CD C:PRO383 4.3 23.0 1.0
C C:PRO383 4.4 31.6 1.0
OE1 C:GLU385 4.4 45.3 1.0
CB C:PRO383 4.7 27.0 1.0
N C:TRP386 4.7 12.7 1.0
C C:GLU385 4.8 15.1 1.0
O C:HOH903 4.8 40.7 1.0
O C:HIS384 4.9 18.4 1.0
N C:PRO383 4.9 22.1 1.0
CA C:PRO383 4.9 27.5 1.0

Chlorine binding site 7 out of 7 in 4ggh

Go back to Chlorine Binding Sites List in 4ggh
Chlorine binding site 7 out of 7 in the Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl410

b:49.6
occ:1.00
 O C:HOH720 2.4 31.4 1.0
NE2 C:GLN122 3.8 16.9 1.0
CD C:GLN122 4.0 21.5 1.0
OE1 C:GLN122 4.1 15.3 1.0
O C:HOH686 4.5 10.7 0.5
CG C:GLN122 4.8 17.6 1.0
O C:HOH759 4.8 33.2 1.0
O C:HOH657 5.0 23.6 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase Family Member From Vibrio Harveyi (Efi-Target 501692) with Homology to Mannonate Dehydratase, with Mg, Hepes, and Ethylene Glycol Bound (Ordered Loops, Space Group C2221) To Be Published.
Page generated: Fri Jul 11 15:39:44 2025

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