Atomistry » Chlorine » PDB 5jen-5jkc » 5jir
Atomistry »
  Chlorine »
    PDB 5jen-5jkc »
      5jir »

Chlorine in PDB 5jir: Crystal Structure of Treponema Pallidum Protein TP0624

Protein crystallography data

The structure of Crystal Structure of Treponema Pallidum Protein TP0624, PDB code: 5jir was solved by M.L.Parker, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.75 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.020, 103.500, 140.680, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 21.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Treponema Pallidum Protein TP0624 (pdb code 5jir). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Treponema Pallidum Protein TP0624, PDB code: 5jir:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 1 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:21.8
occ:1.00
 N B:VAL152 3.3 14.1 1.0
O B:HOH738 3.5 30.0 1.0
NH2 B:ARG105 3.5 13.8 1.0
O B:HOH634 3.7 19.4 1.0
CA B:ALA151 4.0 15.7 1.0
O B:VAL152 4.0 16.9 1.0
CB B:VAL152 4.1 10.6 1.0
C B:ALA151 4.1 12.6 1.0
CB B:ALA151 4.1 17.8 1.0
CA B:VAL152 4.2 13.1 1.0
C B:VAL152 4.5 14.5 1.0
CZ B:ARG105 4.6 15.3 1.0
CG2 B:VAL152 4.6 15.1 1.0
NE B:ARG105 4.9 15.0 1.0

Chlorine binding site 2 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 2 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:21.7
occ:1.00
 NH2 B:ARG425 3.0 35.5 1.0
N B:ALA410 3.5 24.3 1.0
CD B:ARG467 3.7 32.6 1.0
CB B:THR409 3.7 24.8 1.0
CA B:THR409 4.0 22.2 1.0
CG B:ARG467 4.0 37.9 1.0
CZ B:ARG425 4.1 35.5 1.0
NH2 B:ARG467 4.1 40.8 1.0
CB B:ARG467 4.2 28.4 1.0
CD2 B:LEU412 4.3 34.0 1.0
CB B:ALA410 4.3 26.2 1.0
CG2 B:THR409 4.3 22.3 1.0
NH1 B:ARG425 4.3 32.2 1.0
C B:THR409 4.3 23.2 1.0
CD1 B:LEU412 4.4 34.9 1.0
CD2 B:LEU421 4.4 45.8 1.0
CA B:ALA410 4.4 25.1 1.0
CG B:LEU412 4.6 27.9 1.0
O B:ALA410 4.7 22.9 1.0
NE B:ARG467 4.8 41.4 1.0
OG1 B:THR409 4.9 26.3 1.0
CA B:ARG467 4.9 21.4 1.0
CZ B:ARG467 4.9 34.2 1.0

Chlorine binding site 3 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 3 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:23.6
occ:1.00
 OG B:SER123 3.2 20.1 1.0
N B:GLN283 3.3 18.8 1.0
CG B:GLN124 3.4 27.1 1.0
NE2 B:GLN124 3.6 39.2 1.0
CA B:GLY282 3.7 22.0 1.0
CG B:GLN283 3.7 26.4 1.0
CB B:SER123 3.8 18.7 1.0
CE2 B:PHE281 4.0 31.3 1.0
O B:SER123 4.0 19.4 1.0
C B:GLY282 4.0 16.9 1.0
CD B:GLN124 4.0 34.7 1.0
CB B:GLN283 4.2 23.8 1.0
C B:SER123 4.3 17.7 1.0
CZ B:PHE281 4.3 33.1 1.0
CA B:GLN283 4.4 21.0 1.0
CD B:GLN283 4.4 30.5 1.0
NE2 B:GLN283 4.6 29.3 1.0
N B:GLN124 4.7 19.0 1.0
CA B:SER123 4.7 18.1 1.0
CB B:GLN124 4.7 23.9 1.0
CD2 B:PHE281 4.8 26.3 1.0
N B:GLY282 4.8 20.4 1.0
O B:HOH620 5.0 24.5 1.0
CA B:GLN124 5.0 19.1 1.0

Chlorine binding site 4 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 4 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:24.1
occ:1.00
 O B:HOH755 3.1 35.2 1.0
N B:GLN416 3.5 21.7 1.0
NE2 A:GLN427 3.5 28.6 1.0
CD B:PRO415 3.5 26.9 1.0
N B:PRO415 3.7 23.8 1.0
CG B:GLN416 3.8 25.8 1.0
CB B:GLN416 3.8 25.0 1.0
C B:ARG414 3.8 24.5 1.0
CA B:ARG414 4.0 21.5 1.0
OE1 A:GLN427 4.3 25.7 1.0
CA B:GLN416 4.3 19.9 1.0
NE2 B:GLN416 4.3 27.1 1.0
CD B:GLN416 4.3 26.4 1.0
CD A:GLN427 4.3 24.0 1.0
CA B:PRO415 4.4 24.1 1.0
CG B:PRO415 4.4 28.1 1.0
C B:PRO415 4.4 21.8 1.0
CB B:PRO415 4.4 26.8 1.0
O B:ARG414 4.5 21.7 1.0
CB B:ARG414 4.7 26.2 1.0
CG B:ARG414 4.7 35.9 1.0
N B:GLU417 4.9 23.2 1.0

Chlorine binding site 5 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 5 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:26.5
occ:1.00
 O B:HOH690 3.0 31.2 1.0
N B:LEU93 3.3 21.8 1.0
CG B:ARG160 3.8 29.3 1.0
CD1 B:LEU86 3.8 22.6 1.0
CB B:LEU93 3.9 22.8 1.0
CG B:LEU93 3.9 23.5 1.0
CB B:ARG160 4.0 22.8 1.0
CA B:ARG92 4.1 24.7 1.0
CA B:LEU93 4.1 24.1 1.0
CA B:ARG160 4.1 18.7 1.0
C B:ARG92 4.2 22.4 1.0
CD B:ARG160 4.4 33.6 1.0
O B:LEU93 4.4 26.4 1.0
CD1 B:LEU93 4.5 27.8 1.0
O B:MET91 4.6 24.1 1.0
CB B:LEU86 4.7 18.3 1.0
C B:LEU93 4.8 28.7 1.0
CB B:ARG92 4.8 26.7 1.0
CG B:LEU86 4.9 22.3 1.0
C B:ARG160 4.9 18.1 1.0
NE B:ARG160 5.0 48.0 1.0

Chlorine binding site 6 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 6 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:20.1
occ:1.00
 NH2 A:ARG425 3.4 33.5 1.0
CD A:ARG467 3.4 42.7 1.0
N A:ALA410 3.5 27.2 1.0
NH1 A:ARG425 3.5 37.7 1.0
CB A:THR409 3.8 24.3 1.0
CG A:ARG467 3.8 37.5 1.0
CZ A:ARG425 3.9 34.4 1.0
CA A:THR409 4.0 25.9 1.0
CD2 A:LEU421 4.1 30.1 1.0
NH2 A:ARG467 4.1 48.0 1.0
CB A:ALA410 4.2 38.3 1.0
CD2 A:LEU412 4.2 34.5 1.0
CG2 A:THR409 4.3 21.7 1.0
C A:THR409 4.3 26.5 1.0
CB A:ARG467 4.3 32.7 1.0
CA A:ALA410 4.4 29.8 1.0
NE A:ARG467 4.6 50.6 1.0
CD1 A:LEU412 4.7 39.3 1.0
O A:ALA410 4.8 28.2 1.0
CG A:LEU412 4.8 34.3 1.0
CZ A:ARG467 4.9 48.7 1.0
OG1 A:THR409 5.0 27.8 1.0

Chlorine binding site 7 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 7 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:28.3
occ:1.00
 N A:LEU93 3.3 30.9 1.0
NE A:ARG160 3.7 49.5 1.0
CD1 A:LEU86 3.8 34.9 1.0
CA A:ARG92 3.9 34.8 1.0
CA A:ARG160 4.0 27.2 1.0
CB A:LEU93 4.0 34.0 1.0
C A:ARG92 4.1 29.8 1.0
CG A:ARG160 4.2 33.6 1.0
CA A:LEU93 4.2 31.2 1.0
CB A:ARG160 4.2 30.2 1.0
CG A:LEU93 4.3 34.7 1.0
NH1 A:ARG160 4.3 52.1 1.0
O A:LEU93 4.3 35.9 1.0
CD A:ARG160 4.5 39.4 1.0
CZ A:ARG160 4.5 50.7 1.0
CB A:ARG92 4.6 41.7 1.0
CB A:LEU86 4.6 29.2 1.0
NH1 A:ARG92 4.6 53.9 1.0
O A:MET91 4.7 30.9 1.0
C A:ARG160 4.8 25.8 1.0
C A:LEU93 4.8 34.1 1.0
CD1 A:LEU93 4.8 31.5 1.0
O A:HOH658 4.8 33.6 1.0
CG A:LEU86 4.8 27.4 1.0
CG A:ARG92 4.9 52.6 1.0
N A:ARG160 4.9 26.5 1.0

Chlorine binding site 8 out of 8 in 5jir

Go back to Chlorine Binding Sites List in 5jir
Chlorine binding site 8 out of 8 in the Crystal Structure of Treponema Pallidum Protein TP0624


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 Treponema Pallidum Protein TP0624 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:30.9
occ:1.00
 N A:GLN416 3.3 28.1 1.0
CB A:GLN416 3.6 24.5 1.0
NE2 B:GLN427 3.6 28.6 1.0
CG A:GLN416 3.6 28.3 1.0
CD A:PRO415 3.6 30.2 1.0
N A:PRO415 3.7 28.8 1.0
NE2 A:GLN416 3.8 32.0 1.0
C A:ARG414 3.9 28.5 1.0
CD A:GLN416 4.0 31.7 1.0
CA A:ARG414 4.0 32.0 1.0
CA A:GLN416 4.0 26.1 1.0
OE1 B:GLN427 4.2 34.0 1.0
C A:PRO415 4.3 28.7 1.0
CA A:PRO415 4.3 28.9 1.0
CD B:GLN427 4.3 30.6 1.0
CB A:PRO415 4.4 29.6 1.0
CG A:PRO415 4.4 29.0 1.0
CB A:ARG414 4.5 34.4 1.0
O A:ARG414 4.5 29.8 1.0
N A:GLU417 4.8 26.4 1.0
CG A:ARG414 4.8 45.1 1.0
OE1 A:GLN416 4.9 37.7 1.0

Reference:

M.L.Parker, S.Houston, C.Wetherell, C.E.Cameron, M.J.Boulanger. The Structure of Treponema Pallidum TP0624 Reveals A Modular Assembly of Divergently Functionalized and Previously Uncharacterized Domains. Plos One V. 11 66274 2016.
ISSN: ESSN 1932-6203
PubMed: 27832149
DOI: 10.1371/JOURNAL.PONE.0166274
Page generated: Fri Jul 26 10:04:42 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy