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Chlorine in PDB 3ty1: Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution, PDB code: 3ty1 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.70 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 124.033, 119.953, 103.015, 90.00, 106.72, 90.00
R / Rfree (%) 15.8 / 19.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution (pdb code 3ty1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution, PDB code: 3ty1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3ty1

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Chlorine binding site 1 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl500

b:66.4
occ:1.00
 N A:VAL24 3.2 31.6 1.0
O A:HOH824 3.7 67.7 1.0
O A:HOH1063 3.8 60.0 1.0
CA A:TRP23 3.9 33.9 1.0
CE A:LYS34 4.0 59.6 1.0
C A:TRP23 4.1 33.5 1.0
O A:VAL24 4.1 35.4 1.0
CA A:VAL24 4.2 31.6 1.0
CB A:VAL24 4.2 32.7 1.0
NZ A:LYS34 4.4 66.5 1.0
O A:THR22 4.5 40.3 1.0
CG2 A:VAL24 4.5 33.5 1.0
CB A:TRP23 4.5 36.5 1.0
C A:VAL24 4.5 33.7 1.0
O A:HOH1282 4.6 62.6 1.0
CD1 A:TRP23 4.7 41.8 1.0
CG A:TRP23 5.0 37.1 1.0

Chlorine binding site 2 out of 7 in 3ty1

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Chlorine binding site 2 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:76.6
occ:1.00
 O A:HOH876 3.2 46.7 1.0
CB A:ASN254 3.8 44.4 1.0
N A:ASP255 3.8 47.6 1.0
O A:HOH916 3.9 56.9 1.0
OD2 A:ASP255 3.9 76.8 1.0
CB A:ASP255 4.1 53.5 1.0
CG A:ASP255 4.1 58.7 1.0
CA A:ASN254 4.4 42.1 1.0
CA A:ASP255 4.6 49.1 1.0
C A:ASN254 4.6 43.0 1.0
O A:HOH917 4.7 52.9 1.0
CG A:ASN254 4.7 42.0 1.0
O A:HOH1118 4.9 52.7 1.0
OD1 A:ASP255 4.9 66.1 1.0

Chlorine binding site 3 out of 7 in 3ty1

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Chlorine binding site 3 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:76.5
occ:1.00
 O A:HOH1125 3.0 71.2 1.0
O A:HOH896 3.1 61.2 1.0
N A:SER373 3.3 38.1 1.0
OG A:SER373 3.4 48.6 1.0
CB A:ASP372 3.7 39.4 1.0
O A:HOH788 3.8 44.8 1.0
CB A:SER373 3.8 41.4 1.0
CA A:ASP372 3.9 38.5 1.0
C A:ASP372 4.1 38.4 1.0
CA A:SER373 4.2 40.4 1.0
CB A:ASP301 4.2 44.1 1.0
CG A:ASP372 4.8 50.6 1.0
OD2 A:ASP301 5.0 52.6 1.0

Chlorine binding site 4 out of 7 in 3ty1

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Chlorine binding site 4 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:70.2
occ:1.00
 N B:VAL24 3.4 33.0 1.0
CA B:TRP23 3.8 36.9 1.0
CE B:LYS34 4.0 63.1 1.0
O B:HOH1135 4.1 58.5 1.0
C B:TRP23 4.1 34.8 1.0
NZ B:LYS34 4.2 66.2 1.0
O B:VAL24 4.2 35.5 1.0
CB B:VAL24 4.3 35.7 1.0
CA B:VAL24 4.3 33.6 1.0
O B:THR22 4.4 43.3 1.0
CB B:TRP23 4.5 37.9 1.0
CG2 B:VAL24 4.6 34.2 1.0
C B:VAL24 4.7 33.8 1.0
CD1 B:TRP23 4.7 42.0 1.0
O B:HOH1137 4.9 39.2 0.5
CG B:TRP23 4.9 42.0 1.0
N B:TRP23 4.9 35.4 1.0

Chlorine binding site 5 out of 7 in 3ty1

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Chlorine binding site 5 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:78.7
occ:1.00
 NE2 B:GLN349 3.5 35.3 1.0
NZ B:LYS348 3.7 48.0 1.0
CG B:LYS348 3.9 42.7 1.0
CG B:GLN349 4.2 36.1 1.0
CE B:LYS348 4.3 47.4 1.0
CD B:GLN349 4.4 35.6 1.0
CD B:LYS348 4.8 37.9 1.0

Chlorine binding site 6 out of 7 in 3ty1

Go back to Chlorine Binding Sites List in 3ty1
Chlorine binding site 6 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:86.1
occ:1.00
 N B:SER373 3.4 47.6 1.0
OG B:SER373 3.5 54.1 1.0
O B:HOH999 3.5 49.7 1.0
CB B:ASP372 3.8 51.9 1.0
CB B:SER373 3.8 50.0 1.0
CA B:ASP372 4.0 46.0 1.0
CA B:SER373 4.2 47.7 1.0
C B:ASP372 4.2 46.3 1.0
CB B:ASP301 4.5 49.2 1.0
CG B:ASP372 4.9 54.1 1.0

Chlorine binding site 7 out of 7 in 3ty1

Go back to Chlorine Binding Sites List in 3ty1
Chlorine binding site 7 out of 7 in the Crystal Structure of A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution


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 A Putative Aldose 1-Epimerase (KPN_04629) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:79.0
occ:1.00
 O C:HOH1253 3.5 57.8 1.0
O C:HOH948 3.6 41.1 1.0
O C:HOH767 3.8 48.5 1.0
CD C:LYS190 4.0 51.6 1.0
NZ C:LYS190 4.0 59.0 1.0
O C:HOH1205 4.2 51.7 1.0
CE C:LYS190 4.3 55.8 1.0
OH C:TYR151 4.7 53.5 1.0
OE1 C:GLN149 4.8 64.3 1.0
OD2 C:ASP147 5.0 72.5 0.5

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 05:42:14 2024

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