Chlorine in PDB 5aa1: Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide

The structure of Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide, PDB code: 5aa1 was solved by T.Dominguez-Gil, I.Acebron, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.25 / 2.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.853, 135.752, 138.030, 90.00, 92.01, 90.00
R / Rfree (%)	16.8 / 24.3

The binding sites of Chlorine atom in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide (pdb code 5aa1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide, PDB code: 5aa1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide


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 Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1460 b:68.3 occ:1.00 OG A:SER379 3.6 32.2 1.0 O A:HOH2036 4.0 55.8 1.0 CB A:SER379 4.0 31.2 1.0 OH A:TYR450 4.2 37.0 1.0 O A:HOH2043 4.3 22.5 1.0 CD2 A:LEU308 4.4 29.7 1.0 CH2 A:TRP380 4.4 32.4 1.0 CE2 A:TYR450 4.5 32.5 1.0 OE1 A:GLU375 4.5 35.2 1.0 CZ A:TYR450 4.8 41.6 1.0 CZ3 A:TRP380 4.8 33.6 1.0 CB A:PRO376 5.0 48.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide


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 Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1459 b:76.3 occ:1.00 O B:ASN137 3.6 99.7 1.0 NH1 B:ARG136 3.6 75.5 1.0 OD1 B:ASN216 3.6 90.5 1.0 CZ B:ARG136 4.0 61.0 1.0 NH2 B:ARG136 4.0 63.6 1.0 O D:LYS402 4.1 81.4 1.0 O D:GLU403 4.2 58.2 1.0 CG B:ASN216 4.3 79.8 1.0 C D:GLU403 4.4 74.5 1.0 CA D:GLU403 4.6 73.8 1.0 CA B:GLY138 4.6 0.4 1.0 ND2 B:ASN216 4.6 71.0 1.0 C B:ASN137 4.6 96.2 1.0 NE B:ARG136 4.8 57.5 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide


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 Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1460 b:0.4 occ:1.00 N B:SER160 3.4 81.7 1.0 CB B:SER160 3.9 79.8 1.0 N B:THR111 4.0 59.9 1.0 OG1 B:THR111 4.2 66.3 1.0 CA B:SER159 4.2 66.6 1.0 CA B:SER160 4.2 80.4 1.0 C B:SER159 4.2 78.9 1.0 CD1 B:LEU90 4.3 44.1 1.0 CA B:LEU110 4.5 65.1 1.0 CD1 B:LEU110 4.5 56.3 1.0 OH B:TYR94 4.5 68.3 1.0 CB B:THR111 4.6 59.4 1.0 O B:GLY158 4.7 70.4 1.0 C B:LEU110 4.7 64.2 1.0 OG B:SER160 4.8 79.0 1.0 CB B:SER159 4.8 57.0 1.0 CA B:GLY109 4.9 0.7 1.0 CA B:THR111 4.9 59.0 1.0 O B:THR111 5.0 61.5 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide


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 Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1460 b:58.8 occ:1.00 CE2 C:TYR56 3.9 51.4 1.0 O C:TYR431 3.9 47.5 1.0 NE2 C:GLN58 4.0 62.7 1.0 ND2 C:ASN51 4.1 42.0 1.0 OH C:TYR56 4.2 34.0 1.0 CG C:ASN51 4.3 34.7 1.0 CG2 C:THR86 4.3 60.2 1.0 OD1 C:ASN51 4.3 28.4 1.0 C C:TYR431 4.4 43.3 1.0 CZ C:TYR56 4.5 32.2 1.0 CG C:GLN58 4.6 52.4 1.0 O C:HOH2004 4.7 31.7 1.0 CD C:GLN58 4.8 59.1 1.0 CD2 C:TYR56 4.9 48.4 1.0 CA C:TYR431 4.9 31.6 1.0 N C:GLY432 4.9 54.8 1.0 OG1 C:THR86 4.9 75.6 1.0 CA C:GLY432 5.0 32.0 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide


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 Mltf From Pseudomonas Aeruginosa in Complex with Nag-Anhnam-Pentapeptide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1460 b:93.0 occ:1.00 NH2 D:ARG330 2.8 81.8 1.0 CZ D:ARG330 4.1 78.1 1.0 NH2 D:ARG348 4.3 62.4 1.0 NH1 D:ARG330 4.7 87.0 1.0

T.Dominguez-Gil, M.Lee, I.Acebron-Avalos, K.V.Mahasenan, D.Hesek, D.A.Dik, B.Byun, E.Lastochkin, J.F.Fisher, S.Mobashery, J.A.Hermoso. Activation By Allostery in Cell-Wall Remodeling By A Modular Membrane-Bound Lytic Transglycosylase From Pseudomonas Aeruginosa. Structure V. 24 1729 2016.
ISSN: ISSN 1878-4186
PubMed: 27618662
DOI: 10.1016/J.STR.2016.07.019