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Chlorine in PDB 4ntd: Crystal Structure of Hlmi

Protein crystallography data

The structure of Crystal Structure of Hlmi, PDB code: 4ntd was solved by D.H.Scharf, M.Groll, A.Habel, T.Heinekamp, C.Hertweck, A.A.Brakhage, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.60
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 96.350, 96.350, 133.490, 90.00, 90.00, 120.00
R / Rfree (%) 14.6 / 15.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hlmi (pdb code 4ntd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hlmi, PDB code: 4ntd:

Chlorine binding site 1 out of 1 in 4ntd

Go back to Chlorine Binding Sites List in 4ntd
Chlorine binding site 1 out of 1 in the Crystal Structure of Hlmi


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 Hlmi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:54.1
occ:1.00
O A:HOH574 2.8 33.0 1.0
ND1 A:HIS165 2.9 20.9 1.0
CG1 A:GSH401 3.0 34.2 0.5
CA A:HIS165 3.4 17.3 1.0
N A:HIS165 3.4 17.6 1.0
CB1 A:GSH401 3.5 32.7 0.5
CB A:HIS165 3.7 17.9 1.0
CG A:HIS165 3.7 19.4 1.0
C A:ARG164 3.8 18.8 1.0
CE1 A:HIS165 4.0 22.1 1.0
O A:ARG164 4.0 18.9 1.0
CD2 A:LEU168 4.1 22.0 1.0
O A:GLY161 4.1 20.7 1.0
CB A:ARG164 4.2 23.9 1.0
O A:HOH939 4.3 33.5 1.0
CD1 A:GSH401 4.4 35.4 0.5
CA A:ARG164 4.6 19.7 1.0
O11 A:GSH401 4.7 38.4 0.5
CB A:LEU168 4.7 17.4 1.0
CA1 A:GSH401 4.7 27.5 0.5
C A:HIS165 4.7 16.9 1.0
N2 A:GSH401 4.8 32.9 0.5
CG2 A:VAL234 4.9 22.8 1.0
C1 A:GSH401 4.9 37.4 0.5
CD2 A:HIS165 4.9 19.9 1.0
NH1 A:ARG164 5.0 79.3 1.0

Reference:

D.H.Scharf, M.Groll, A.Habel, T.Heinekamp, C.Hertweck, A.A.Brakhage, E.M.Huber. Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products Angew.Chem.Int.Ed.Engl. V. 53 2221 2014.
ISSN: ISSN 1433-7851
PubMed: 24446392
DOI: 10.1002/ANIE.201309302
Page generated: Sat Dec 12 10:59:12 2020

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