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Chlorine in PDB 4eum: Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II

Enzymatic activity of Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II

All present enzymatic activity of Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II:
2.7.1.45;

Protein crystallography data

The structure of Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II, PDB code: 4eum 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) 27.20 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 79.540, 49.528, 83.267, 90.00, 101.50, 90.00
R / Rfree (%) 17.6 / 22.1

Other elements in 4eum:

The structure of Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II (pdb code 4eum). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II, PDB code: 4eum:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eum

Go back to Chlorine Binding Sites List in 4eum
Chlorine binding site 1 out of 4 in the Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II


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 A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:29.8
occ:1.00
 O A:HOH639 3.7 39.2 1.0
CA A:ASN-6 3.7 24.3 1.0
CB A:ASN-6 3.8 21.5 1.0
O A:GLU-7 4.2 31.6 1.0
N A:LEU-5 4.4 20.2 1.0
C A:ASN-6 4.5 26.1 1.0
O A:HOH675 4.7 49.6 1.0
N A:ASN-6 4.8 23.2 1.0
C A:GLU-7 5.0 31.2 1.0

Chlorine binding site 2 out of 4 in 4eum

Go back to Chlorine Binding Sites List in 4eum
Chlorine binding site 2 out of 4 in the Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II


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 A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:45.7
occ:1.00
 N A:ARG167 3.2 31.6 1.0
CG A:ARG167 3.3 48.5 1.0
N A:PRO166 3.4 28.9 1.0
C A:ARG165 3.4 22.9 1.0
CD A:PRO166 3.5 24.3 1.0
CA A:ARG165 3.6 27.6 1.0
CB A:ARG167 3.6 41.8 1.0
CB A:ARG165 3.9 27.4 1.0
CA A:ARG167 4.0 33.3 1.0
O A:ARG165 4.0 22.5 1.0
C A:PRO166 4.2 29.7 1.0
CD A:ARG165 4.2 38.6 1.0
CA A:PRO166 4.2 30.0 1.0
CB A:PRO166 4.3 35.6 1.0
CG A:PRO166 4.4 33.1 1.0
CD A:ARG167 4.4 62.4 1.0
CG A:ARG165 4.7 30.5 1.0
N A:LEU168 4.9 22.9 1.0
C A:ARG167 5.0 27.9 1.0

Chlorine binding site 3 out of 4 in 4eum

Go back to Chlorine Binding Sites List in 4eum
Chlorine binding site 3 out of 4 in the Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II


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 A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:22.4
occ:1.00
 O A:HOH590 3.0 31.0 1.0
N A:LEU272 3.3 17.5 1.0
NE2 A:GLN233 3.3 24.2 1.0
O A:HOH563 3.4 28.0 1.0
CA A:PRO271 3.9 18.4 1.0
CB A:LEU272 4.0 17.2 1.0
C A:PRO271 4.1 18.6 1.0
CD A:GLN233 4.2 24.6 1.0
CA A:LEU272 4.2 17.2 1.0
OE1 A:GLN233 4.2 21.4 1.0
CB A:PRO271 4.4 25.3 1.0
NH2 A:ARG236 4.6 36.5 1.0
OE1 A:GLU273 4.9 25.4 1.0

Chlorine binding site 4 out of 4 in 4eum

Go back to Chlorine Binding Sites List in 4eum
Chlorine binding site 4 out of 4 in the Crystal Structure of A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II


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 A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:43.1
occ:1.00
 N B:ARG167 3.2 34.0 1.0
CD B:ARG167 3.3 73.3 1.0
C B:ARG165 3.4 31.5 1.0
N B:PRO166 3.4 31.7 1.0
CB B:ARG167 3.4 45.4 1.0
CA B:ARG165 3.5 25.1 1.0
CD B:PRO166 3.5 33.7 1.0
NE B:ARG167 3.6 84.3 1.0
CB B:ARG165 3.7 26.2 1.0
CG B:ARG167 3.7 58.5 1.0
CA B:ARG167 3.9 35.8 1.0
O B:ARG165 3.9 29.7 1.0
CZ B:ARG167 4.0 85.6 1.0
NH2 B:ARG167 4.1 82.0 1.0
C B:PRO166 4.1 33.6 1.0
CA B:PRO166 4.2 33.1 1.0
CD B:ARG165 4.3 38.0 1.0
CB B:PRO166 4.5 38.1 1.0
CG B:PRO166 4.5 38.5 1.0
CG B:ARG165 4.6 35.6 1.0
NH1 B:ARG167 4.8 85.9 1.0
N B:LEU168 4.8 26.9 1.0
C B:ARG167 4.9 33.9 1.0
N B:ARG165 4.9 25.2 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 A Sugar Kinase (Target Efi-502132) From Oceanicola Granulosus with Bound Amp, Crystal Form II To Be Published.
Page generated: Sun Jul 21 13:22:55 2024

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