Chlorine in PDB 7lld: Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin

Protein crystallography data

The structure of Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin, PDB code: 7lld was solved by P.S.Bury, F.Huang, P.F.Leadlay, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.73 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.455, 75.036, 186.031, 90, 90, 90
R / Rfree (%) 14.4 / 18.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin (pdb code 7lld). 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 GENB4 in Complex with External Aldimine of Plp- Sisomicin, PDB code: 7lld:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7lld

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Chlorine binding site 1 out of 4 in the Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin


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 GENB4 in Complex with External Aldimine of Plp- Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:18.1
occ:1.00
 O A:HOH812 3.1 20.5 1.0
O A:HOH1115 3.2 47.4 1.0
N A:VAL28 3.3 15.4 1.0
N A:LEU40 3.5 16.9 1.0
CB A:ASP39 3.6 15.4 1.0
CB A:LEU40 3.6 18.3 1.0
CB A:TYR3 3.7 18.6 1.0
CA A:SER27 3.7 15.8 1.0
O A:VAL28 3.7 16.0 1.0
CG A:ASP39 3.7 17.5 1.0
CG A:LEU40 3.8 18.5 1.0
CB A:SER27 3.8 16.5 1.0
OD2 A:ASP39 3.9 18.4 1.0
C A:SER27 4.0 16.2 1.0
CD1 A:LEU40 4.0 18.0 1.0
CA A:LEU40 4.1 18.7 1.0
CD1 A:TYR3 4.2 18.9 1.0
CA A:VAL28 4.3 16.2 1.0
OD1 A:ASP39 4.3 18.4 1.0
CA A:TYR3 4.3 17.9 1.0
CG A:TYR3 4.4 19.5 1.0
N A:TYR3 4.4 17.9 1.0
C A:ASP39 4.4 17.0 1.0
C A:VAL28 4.4 16.2 1.0
N A:SER41 4.4 21.2 1.0
CA A:ASP39 4.5 15.5 1.0
CB A:VAL28 4.5 16.5 1.0
C A:LEU40 4.7 21.1 1.0
O A:PRO26 4.9 19.9 1.0
N A:SER27 5.0 18.0 1.0

Chlorine binding site 2 out of 4 in 7lld

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Chlorine binding site 2 out of 4 in the Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin


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 GENB4 in Complex with External Aldimine of Plp- Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:20.2
occ:1.00
 O A:HOH874 3.0 40.0 1.0
O B:HOH847 3.1 21.9 1.0
O A:HOH861 3.1 26.2 1.0
N A:ARG60 3.1 15.2 1.0
O B:HOH733 3.2 20.1 1.0
N B:THR77 3.2 13.8 1.0
CA B:GLY76 3.6 14.7 1.0
CA A:TYR59 3.9 14.1 1.0
CD1 A:TYR59 3.9 14.8 1.0
C B:GLY76 3.9 13.4 1.0
CG A:ARG60 3.9 15.8 1.0
CA A:ARG60 4.0 14.7 1.0
C A:TYR59 4.0 12.9 1.0
CB B:THR77 4.0 14.9 1.0
CB A:TYR59 4.2 15.2 1.0
CA B:THR77 4.2 14.4 1.0
OG1 B:THR77 4.3 17.2 1.0
O A:HOH1047 4.3 19.2 1.0
CB A:ARG60 4.5 15.8 1.0
CG A:TYR59 4.6 13.6 1.0
N B:THR78 4.6 14.7 0.7
N B:THR78 4.7 17.1 0.3
O B:THR78 4.7 16.6 0.3
O A:HOH709 4.8 40.8 1.0
CE1 A:TYR59 4.9 15.9 1.0
C B:THR77 5.0 14.8 1.0

Chlorine binding site 3 out of 4 in 7lld

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Chlorine binding site 3 out of 4 in the Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin


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 GENB4 in Complex with External Aldimine of Plp- Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:20.3
occ:1.00
 O B:HOH707 3.2 28.7 1.0
O B:HOH986 3.2 36.8 1.0
N B:VAL28 3.2 16.6 1.0
N B:LEU40 3.4 17.7 1.0
CB B:LEU40 3.6 21.7 1.0
CB B:ASP39 3.7 17.5 1.0
CB B:TYR3 3.7 20.9 1.0
CA B:SER27 3.7 15.3 1.0
O B:VAL28 3.7 18.6 1.0
CG B:ASP39 3.7 19.3 1.0
CG B:LEU40 3.8 21.5 1.0
OD2 B:ASP39 3.8 20.0 1.0
CB B:SER27 3.9 17.5 1.0
C B:SER27 4.0 15.1 1.0
CD1 B:LEU40 4.1 23.3 1.0
CA B:LEU40 4.1 21.3 1.0
CA B:TYR3 4.2 21.9 1.0
CA B:VAL28 4.2 17.5 1.0
OD1 B:ASP39 4.2 19.6 1.0
N B:TYR3 4.3 24.4 1.0
CD1 B:TYR3 4.3 21.7 1.0
C B:VAL28 4.4 17.5 1.0
C B:ASP39 4.4 19.8 1.0
CG B:TYR3 4.4 21.8 1.0
N B:SER41 4.4 22.3 1.0
CB B:VAL28 4.4 17.6 1.0
CA B:ASP39 4.5 18.3 1.0
C B:LEU40 4.7 22.5 1.0
O B:HOH1151 4.7 50.8 1.0
O B:PRO26 4.8 22.1 1.0
N B:SER27 4.9 18.7 1.0

Chlorine binding site 4 out of 4 in 7lld

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Chlorine binding site 4 out of 4 in the Crystal Structure of GENB4 in Complex with External Aldimine of Plp- Sisomicin


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 GENB4 in Complex with External Aldimine of Plp- Sisomicin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:52.6
occ:1.00
 O B:GLY409 2.8 19.5 1.0
N B:PHE148 2.8 19.4 1.0
O B:GLU146 3.5 23.5 1.0
CB B:PHE148 3.5 17.3 1.0
C B:GLU147 3.6 18.3 1.0
C B:GLY409 3.6 15.9 1.0
CA B:GLY409 3.6 15.7 1.0
CA B:PHE148 3.7 16.2 1.0
CA B:GLU147 3.7 20.6 1.0
O B:HOH921 4.1 21.8 1.0
CA B:GLY160 4.1 15.0 1.0
CG B:LEU411 4.2 21.3 1.0
C B:GLU146 4.4 20.1 1.0
CD2 B:LEU411 4.4 23.6 1.0
N B:GLU147 4.5 19.5 1.0
CD1 B:LEU411 4.5 23.6 1.0
N B:GLY160 4.6 15.3 1.0
O B:GLU147 4.6 19.2 1.0
O B:HOH996 4.7 38.0 1.0
CG B:PHE148 4.7 16.2 1.0
CB B:GLU147 4.8 25.3 1.0
O B:HOH820 4.9 26.6 1.0
N B:GLY410 4.9 16.4 1.0
CD2 B:PHE148 4.9 18.0 1.0
O B:HOH638 5.0 46.7 1.0

Reference:

P.S.Bury, F.Huang, P.F.Leadlay, M.V.B.Dias. Crystal Structure of GENB4 in Complex with External Aldimine of Plp-Sisomicin Acs Catalysis 2021.
ISSN: ESSN 2155-5435
Page generated: Fri Sep 24 12:55:15 2021

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