Chlorine in PDB 5awv: Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin

The structure of Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin, PDB code: 5awv was solved by Y.C.Liu, T.L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.40 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.791, 150.778, 124.853, 90.00, 98.40, 90.00
R / Rfree (%)	15.6 / 20.5

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>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin (pdb code 5awv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin, PDB code: 5awv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl2 b:82.0 occ:1.00 CL I:3MY2 0.0 82.0 1.0 CE2 I:3MY2 1.7 83.9 1.0 CD2 I:3MY2 2.6 90.8 1.0 CZ I:3MY2 2.9 77.8 1.0 NE B:ARG501 3.1 27.5 1.0 OBD I:3MY2 3.2 49.7 1.0 O B:HOH712 3.2 37.9 1.0 CG B:ARG501 3.4 26.4 1.0 CD B:ARG501 3.7 28.3 1.0 CB B:ASP208 3.8 22.4 1.0 CG I:3MY2 3.9 94.6 1.0 C5 I:GHP4 3.9 50.7 1.0 CZ B:ARG501 4.0 29.2 1.0 NH2 B:ARG501 4.0 31.9 1.0 C6 I:GHP4 4.1 49.0 1.0 CG2 B:VAL505 4.1 19.1 1.0 CE1 I:3MY2 4.1 80.3 1.0 O B:ARG501 4.4 18.5 1.0 OD2 B:ASP208 4.4 26.2 1.0 CD1 I:3MY2 4.5 90.0 1.0 O I:3MY2 4.6 66.1 1.0 CB B:ARG501 4.6 21.6 1.0 CB B:LYS504 4.7 24.2 1.0 CG B:ASP208 4.7 23.9 1.0 CD B:LYS504 4.8 51.8 1.0 CA B:ARG501 4.8 21.6 1.0 CB I:3MY2 4.9 94.7 1.0 CA B:ASP208 4.9 21.3 1.0 C B:ARG501 5.0 20.8 1.0

Chlorine binding site 2 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl6 b:79.6 occ:1.00 CL I:OMY6 0.0 79.6 1.0 CE1 I:OMY6 1.8 71.0 1.0 CD1 I:OMY6 2.8 71.7 1.0 CZ I:OMY6 2.9 67.7 1.0 OCZ I:OMY6 3.1 57.5 1.0 C3 I:GHP4 3.6 53.1 1.0 C2 I:GHP4 3.9 53.8 1.0 CG I:OMY6 4.1 73.4 1.0 CE2 I:OMY6 4.2 71.0 1.0 C4 I:GHP4 4.4 56.0 1.0 CD2 I:OMY6 4.7 68.2 1.0 O4 I:GHP4 4.8 55.1 1.0 C1 I:GHP4 4.9 52.5 1.0

Chlorine binding site 3 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl2 b:77.8 occ:1.00 CL J:3MY2 0.0 77.8 1.0 CE2 J:3MY2 1.9 65.1 1.0 CD2 J:3MY2 2.8 55.2 1.0 CZ J:3MY2 3.0 64.2 1.0 OBD J:3MY2 3.2 62.1 1.0 C5 J:GHP4 3.5 61.6 1.0 C6 J:GHP4 3.5 56.3 1.0 O J:3FG3 3.9 66.7 1.0 CG J:3MY2 4.1 57.0 1.0 CE1 J:3MY2 4.3 58.8 1.0 C4 J:GHP4 4.4 59.6 1.0 C1 J:GHP4 4.5 55.6 1.0 C J:3FG3 4.7 53.2 1.0 CD1 J:3MY2 4.7 55.9 1.0

Chlorine binding site 4 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl6 b:85.7 occ:1.00 CL J:OMY6 0.0 85.7 1.0 CE1 J:OMY6 1.8 70.5 1.0 CD1 J:OMY6 2.7 69.6 1.0 CZ J:OMY6 2.9 65.6 1.0 C3 J:GHP4 3.2 63.1 1.0 OCZ J:OMY6 3.2 60.7 1.0 C4 J:GHP4 3.6 59.6 1.0 C2 J:GHP4 3.6 57.9 1.0 O4 J:GHP4 4.0 52.7 1.0 CG J:OMY6 4.1 70.6 1.0 CE2 J:OMY6 4.2 63.6 1.0 C5 J:GHP4 4.3 61.6 1.0 C1 J:GHP4 4.3 55.6 1.0 O J:HOH205 4.6 39.8 1.0 C6 J:GHP4 4.6 56.3 1.0 CD2 J:OMY6 4.6 66.1 1.0 O J:GHP4 4.8 40.3 1.0 C J:GHP4 5.0 55.8 1.0

Chlorine binding site 5 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl2 b:0.4 occ:1.00 CL K:3MY2 0.0 0.4 1.0 CE2 K:3MY2 2.0 63.0 1.0 O K:HOH201 2.9 36.8 1.0 CZ K:3MY2 2.9 60.0 1.0 OBD K:3MY2 3.0 61.0 1.0 CD2 K:3MY2 3.0 55.3 1.0 CB A:VAL150 3.3 41.0 1.0 O6A K:N1L104 3.3 57.9 1.0 CG2 A:VAL150 3.5 38.3 1.0 O4 A:FAD601 3.5 22.0 1.0 O A:HOH962 3.7 41.5 1.0 C5 K:GHP4 3.7 62.9 1.0 C6 K:GHP4 4.0 60.7 1.0 CG1 A:VAL150 4.2 44.9 1.0 CE1 K:3MY2 4.2 57.9 1.0 O5 K:N1L104 4.2 55.0 1.0 SG A:CYS151 4.2 32.7 1.0 CG K:3MY2 4.3 55.4 1.0 N A:VAL150 4.3 21.5 1.0 CA A:VAL150 4.3 30.6 1.0 C6 K:N1L104 4.3 55.1 1.0 N5 A:FAD601 4.4 23.1 1.0 C4 A:FAD601 4.6 19.4 1.0 N A:CYS151 4.6 32.5 1.0 CD1 K:3MY2 4.8 55.6 1.0 C4 K:GHP4 4.8 63.2 1.0 C A:VAL150 4.8 33.5 1.0 OE1 A:GLN294 4.9 25.9 1.0 C4X A:FAD601 5.0 20.3 1.0 C5 K:N1L104 5.0 53.6 1.0

Chlorine binding site 6 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl6 b:0.7 occ:1.00 CL K:OMY6 0.0 0.7 1.0 CE1 K:OMY6 1.7 0.6 1.0 CD1 K:OMY6 2.7 0.9 1.0 CZ K:OMY6 2.8 0.9 1.0 O K:T55101 3.1 61.1 1.0 OCZ K:OMY6 3.1 91.4 1.0 C3 K:GHP4 3.1 71.8 1.0 CB A:GLU306 3.5 46.8 1.0 C4 K:GHP4 3.6 63.2 1.0 C2 K:GHP4 3.6 63.3 1.0 CG A:GLU306 3.6 57.0 1.0 CG K:OMY6 4.0 0.3 1.0 O4 K:GHP4 4.0 67.5 1.0 CE2 K:OMY6 4.1 0.9 1.0 C K:T55101 4.3 71.9 1.0 C5 K:GHP4 4.3 62.9 1.0 C1 K:GHP4 4.4 66.6 1.0 CD2 K:OMY6 4.5 0.6 1.0 CAK K:T55101 4.6 59.8 1.0 C6 K:GHP4 4.7 60.7 1.0 CE A:MET304 4.7 56.5 1.0 CD A:GLU306 4.9 53.4 1.0 CA A:GLU306 4.9 41.8 1.0 CH2 A:TRP399 5.0 26.4 1.0 C K:GHP4 5.0 85.2 1.0

Chlorine binding site 7 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


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 Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl2 b:0.9 occ:1.00 CL L:3MY2 0.0 0.9 1.0 CE2 L:3MY2 1.9 68.8 1.0 CZ L:3MY2 2.8 62.7 1.0 OBD L:3MY2 2.8 63.0 1.0 O L:HOH201 2.9 41.2 1.0 CD2 L:3MY2 3.0 72.4 1.0 CG2 B:VAL150 3.2 39.1 1.0 CB B:VAL150 3.3 38.5 1.0 O6A L:N1L103 3.5 64.8 1.0 O4 B:FAD601 3.6 26.4 1.0 C5 L:GHP4 3.7 63.6 1.0 O B:HOH955 3.9 46.6 1.0 C6 L:GHP4 4.0 63.1 1.0 CG1 B:VAL150 4.1 42.9 1.0 CE1 L:3MY2 4.1 57.8 1.0 O5 L:N1L103 4.2 49.9 1.0 CG L:3MY2 4.3 64.7 1.0 SG B:CYS151 4.3 34.0 1.0 C6 L:N1L103 4.3 52.4 1.0 N5 B:FAD601 4.4 21.7 1.0 CA B:VAL150 4.5 34.0 1.0 N B:VAL150 4.5 27.0 1.0 OE1 B:GLN294 4.6 31.8 1.0 C4 B:FAD601 4.7 23.5 1.0 N B:CYS151 4.7 35.1 1.0 CD1 L:3MY2 4.7 58.5 1.0 C4 L:GHP4 4.8 66.2 1.0 C5 L:N1L103 4.9 51.4 1.0 NE2 B:GLN294 4.9 40.9 1.0 C B:VAL150 5.0 36.9 1.0

Chlorine binding site 8 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl6 b:0.7 occ:1.00 CL L:OMY6 0.0 0.7 1.0 CE1 L:OMY6 1.8 0.2 1.0 CD1 L:OMY6 2.7 0.8 1.0 CZ L:OMY6 2.8 0.5 1.0 OCZ L:OMY6 3.2 84.7 1.0 C3 L:GHP4 3.3 70.5 1.0 CB B:GLU306 3.3 61.5 1.0 O B:T55602 3.3 72.6 1.0 C2 L:GHP4 3.7 65.2 1.0 C4 L:GHP4 3.8 66.2 1.0 CG B:GLU306 3.8 67.5 1.0 CG L:OMY6 4.0 0.9 1.0 CE2 L:OMY6 4.1 0.4 1.0 CE B:MET304 4.2 69.7 1.0 O4 L:GHP4 4.2 54.7 1.0 C1 L:GHP4 4.5 70.4 1.0 CD2 L:OMY6 4.5 0.4 1.0 C5 L:GHP4 4.6 63.6 1.0 C B:T55602 4.6 66.0 1.0 CAK B:T55602 4.7 53.0 1.0 CA B:GLU306 4.7 55.2 1.0 CD B:GLU306 4.8 66.0 1.0 C6 L:GHP4 4.9 63.1 1.0 OE1 B:GLU306 4.9 79.3 1.0 CH2 B:TRP399 4.9 30.6 1.0 CG B:MET304 5.0 68.6 1.0

Chlorine binding site 9 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl2 b:0.8 occ:1.00 CL M:3MY2 0.0 0.8 1.0 CE2 M:3MY2 1.9 97.3 1.0 CZ M:3MY2 2.8 85.1 1.0 O C:HOH846 2.9 44.5 1.0 OBD M:3MY2 2.9 77.5 1.0 CD2 M:3MY2 3.0 90.2 1.0 CG2 C:VAL150 3.3 47.1 1.0 O4 C:FAD601 3.4 28.5 1.0 O C:HOH850 3.5 54.0 1.0 CB C:VAL150 3.6 45.6 1.0 C5 M:GHP4 3.7 72.7 1.0 C6 M:GHP4 4.1 74.2 1.0 SG C:CYS151 4.2 37.8 1.0 CE1 M:3MY2 4.2 82.4 1.0 CG M:3MY2 4.3 78.1 1.0 N5 C:FAD601 4.3 25.8 1.0 O6A M:N1L104 4.4 63.2 1.0 N C:VAL150 4.4 27.3 1.0 O5 M:N1L104 4.5 52.5 1.0 CA C:VAL150 4.5 37.6 1.0 C4 C:FAD601 4.6 27.0 1.0 N C:CYS151 4.6 38.8 1.0 CG1 C:VAL150 4.7 53.8 1.0 C4 M:GHP4 4.7 72.5 1.0 CD1 M:3MY2 4.8 77.1 1.0 OE1 C:GLN294 4.8 32.6 1.0 C4X C:FAD601 4.9 24.4 1.0 C C:VAL150 5.0 37.2 1.0 O4 M:GHP4 5.0 59.4 1.0

Chlorine binding site 10 out of 16 in the Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Glycopeptide Hexose Oxidase DBV29 Complexed with Teicoplanin within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl6 b:0.4 occ:1.00 CL M:OMY6 0.0 0.4 1.0 CE1 M:OMY6 1.8 0.2 1.0 O M:T55101 2.7 94.8 1.0 CD1 M:OMY6 2.7 0.8 1.0 CZ M:OMY6 2.9 0.7 1.0 OCZ M:OMY6 3.1 88.7 1.0 C3 M:GHP4 3.1 81.9 1.0 CB C:GLU306 3.4 56.9 1.0 C2 M:GHP4 3.5 83.5 1.0 C4 M:GHP4 3.6 72.5 1.0 CG C:GLU306 3.6 66.5 1.0 C M:T55101 3.9 87.4 1.0 O4 M:GHP4 4.0 59.4 1.0 CG M:OMY6 4.1 0.2 1.0 CE2 M:OMY6 4.1 0.6 1.0 C1 M:GHP4 4.3 82.9 1.0 C5 M:GHP4 4.3 72.7 1.0 CE C:MET304 4.3 79.2 1.0 N2 M:N1L104 4.6 78.7 1.0 C6 M:GHP4 4.6 74.2 1.0 CD2 M:OMY6 4.6 0.2 1.0 O M:GHP4 4.7 94.5 1.0 CA C:GLU306 4.8 53.8 1.0 CAK M:T55101 4.8 61.3 1.0 C M:GHP4 4.9 0.4 1.0 CD C:GLU306 4.9 64.6 1.0 OE1 C:GLU306 5.0 58.5 1.0

Y.C.Liu, Y.S.Li, S.Y.Lyu, L.J.Hsu, Y.H.Chen, Y.T.Huang, H.C.Chan, C.J.Huang, G.H.Chen, C.C.Chou, M.D.Tsai, T.L.Li. Interception of Teicoplanin Oxidation Intermediates Yields New Antimicrobial Scaffolds. Nat. Chem. Biol. V. 7 304 2011.
ISSN: ESSN 1552-4469
PubMed: 21478878
DOI: 10.1038/NCHEMBIO.556