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Chlorine in PDB 5hxm: Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose

Enzymatic activity of Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose

All present enzymatic activity of Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose:
3.2.1.177;

Protein crystallography data

The structure of Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose, PDB code: 5hxm was solved by A.S.Halavaty, S.H.Light, G.Minasov, J.Winsor, S.Grimshaw, L.Shuvalova, S.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.74 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 166.157, 102.437, 74.011, 90.00, 103.78, 90.00
R / Rfree (%) 15.2 / 19.5

Other elements in 5hxm:

The structure of Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose (pdb code 5hxm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose, PDB code: 5hxm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5hxm

Go back to Chlorine Binding Sites List in 5hxm
Chlorine binding site 1 out of 2 in the Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1107

b:56.1
occ:1.00
O A:HOH1961 3.0 64.5 1.0
NE A:ARG991 3.1 39.0 1.0
OG1 A:THR1025 3.2 51.7 1.0
CD A:ARG991 3.5 39.6 1.0
C A:ASN1024 3.5 45.0 1.0
N A:THR1025 3.6 46.7 1.0
CA A:ASN1024 3.7 44.9 1.0
O A:TRP1023 3.8 42.0 1.0
CB A:THR1025 3.9 49.9 1.0
N A:ASN1024 3.9 43.7 1.0
C A:TRP1023 3.9 44.1 1.0
CG A:ARG991 4.0 37.5 1.0
O A:ASN1024 4.1 44.7 1.0
CZ A:ARG991 4.1 39.9 1.0
CA A:THR1025 4.3 46.1 1.0
CB A:TRP1023 4.3 43.4 1.0
NH2 A:ARG991 4.4 40.5 1.0
CA A:TRP1023 4.8 43.6 1.0
CB A:ARG991 5.0 35.3 1.0

Chlorine binding site 2 out of 2 in 5hxm

Go back to Chlorine Binding Sites List in 5hxm
Chlorine binding site 2 out of 2 in the Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cycloalternan-Forming Enzyme From Listeria Monocytogenes in Complex with Panose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1108

b:53.0
occ:1.00
O A:HOH1736 3.1 38.5 1.0
O A:HOH1997 3.1 44.9 1.0
N A:THR1031 3.4 42.4 1.0
CB A:ILE1005 3.6 33.2 1.0
CG1 A:ILE1005 3.6 33.6 1.0
CG2 A:ILE1005 3.9 33.8 1.0
CA A:VAL1030 3.9 42.2 1.0
CB A:THR1031 4.0 42.7 1.0
O A:HOH2118 4.1 49.2 1.0
O A:THR1031 4.1 41.6 1.0
C A:VAL1030 4.1 41.8 1.0
CA A:THR1031 4.2 41.2 1.0
NE2 A:GLN1010 4.2 35.8 1.0
CD A:LYS1008 4.2 33.4 1.0
OG1 A:THR1031 4.3 44.6 1.0
CB A:VAL1030 4.5 41.3 1.0
C A:THR1031 4.6 40.1 1.0
O A:PRO1029 4.7 40.6 1.0
CG A:LYS1008 4.8 32.2 1.0
CG1 A:VAL1030 4.8 41.9 1.0
CB A:LYS1008 4.8 31.8 1.0
CD1 A:ILE1005 4.8 33.4 1.0
CE A:LYS1008 4.9 36.0 1.0
NZ A:LYS1008 5.0 39.1 1.0

Reference:

S.H.Light, L.A.Cahoon, K.V.Mahasenan, M.Lee, B.Boggess, A.S.Halavaty, S.Mobashery, N.E.Freitag, W.F.Anderson. Transferase Versus Hydrolase: the Role of Conformational Flexibility in Reaction Specificity. Structure V. 25 295 2017.
ISSN: ISSN 1878-4186
PubMed: 28089449
DOI: 10.1016/J.STR.2016.12.007
Page generated: Sat Dec 12 11:49:30 2020

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