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Chlorine in PDB 3nra: Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution

Protein crystallography data

The structure of Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution, PDB code: 3nra 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) 29.78 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.291, 98.517, 127.883, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 20

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution (pdb code 3nra). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution, PDB code: 3nra:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 3nra

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Chlorine binding site 1 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:38.7
occ:1.00
 NH1 A:ARG380 3.1 13.4 1.0
O A:HOH591 3.4 16.5 1.0
OH A:TYR338 3.6 18.3 1.0
ND2 A:ASN189 3.6 11.9 1.0
NH2 A:ARG380 3.7 14.9 1.0
CE1 A:TYR135 3.7 14.4 1.0
CZ A:ARG380 3.9 12.7 1.0
O A:HOH1031 3.9 39.3 1.0
O A:HOH759 4.0 22.5 1.0
O B:HOH973 4.1 21.9 1.0
NZ A:LLP252 4.2 17.8 1.0
CD1 A:TYR135 4.4 15.3 1.0
O A:HOH867 4.4 27.8 1.0
CZ A:TYR338 4.5 18.2 1.0
C4' A:LLP252 4.5 18.2 1.0
CZ A:TYR135 4.6 14.6 1.0
OH A:TYR135 4.6 14.1 1.0
CE A:LLP252 4.7 16.7 1.0
CG A:ASN189 4.7 13.8 1.0
OD1 A:ASN189 4.9 13.2 1.0
CD1 A:PHE136 4.9 19.1 1.0
O3 A:LLP252 4.9 16.8 1.0
C4 A:LLP252 5.0 16.2 1.0
CE1 A:TYR338 5.0 17.9 1.0

Chlorine binding site 2 out of 11 in 3nra

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Chlorine binding site 2 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:42.3
occ:1.00
 O A:HOH988 3.3 30.1 1.0
O A:HOH1082 3.3 35.8 1.0
CB A:PRO344 3.5 23.8 1.0
N A:LYS345 3.7 26.9 1.0
CA A:PRO344 3.9 23.1 1.0
C A:PRO344 4.3 24.5 1.0
CB A:LYS345 4.6 29.4 1.0
CA A:LYS345 4.7 28.3 1.0
CG A:PRO344 5.0 23.3 1.0

Chlorine binding site 3 out of 11 in 3nra

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Chlorine binding site 3 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:24.0
occ:1.00
 ND1 A:HIS51 3.0 18.4 1.0
NE A:ARG307 3.3 20.0 1.0
NH1 A:ARG310 3.3 35.8 1.0
O A:HOH853 3.6 22.8 1.0
CG A:ARG307 3.6 17.4 1.0
CA A:ARG307 3.7 16.8 1.0
CD A:ARG310 3.8 23.8 1.0
CB A:ARG307 3.8 16.7 1.0
CE1 A:HIS51 3.9 18.8 1.0
CG A:HIS51 3.9 19.0 1.0
CD A:ARG307 4.0 17.7 1.0
CE1 A:HIS311 4.0 16.9 1.0
NH2 A:ARG307 4.0 21.1 1.0
CZ A:ARG307 4.0 19.9 1.0
CB A:HIS51 4.1 18.4 1.0
CB A:ARG310 4.1 18.8 1.0
O A:ARG307 4.2 17.8 1.0
ND1 A:HIS311 4.2 14.4 1.0
CZ A:ARG310 4.3 35.3 1.0
CG A:ARG310 4.4 21.2 1.0
NE A:ARG310 4.4 30.5 1.0
C A:ARG307 4.5 16.3 1.0
CA A:HIS51 4.6 18.8 1.0
N A:ARG307 4.7 17.5 1.0
O A:HOH713 4.8 24.2 1.0

Chlorine binding site 4 out of 11 in 3nra

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Chlorine binding site 4 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:24.9
occ:1.00
 O A:HOH697 3.0 25.4 1.0
N A:GLU75 3.3 17.4 1.0
N A:LEU80 3.6 19.3 1.0
CG A:GLU75 3.7 25.6 1.0
CA A:ASP79 3.7 18.1 1.0
CB A:GLU75 3.8 19.9 1.0
CA A:THR74 3.9 15.1 1.0
O A:GLY78 4.0 14.6 1.0
C A:THR74 4.1 16.0 1.0
CB A:THR74 4.1 15.4 1.0
C A:ASP79 4.2 18.4 1.0
CA A:GLU75 4.2 18.9 1.0
CD A:GLU75 4.2 31.6 1.0
O A:HOH880 4.2 35.8 1.0
CB A:LEU80 4.3 21.5 1.0
OE2 A:GLU75 4.4 35.2 1.0
N A:ASP79 4.5 17.3 1.0
OD2 A:ASP79 4.5 30.4 1.0
CA A:LEU80 4.6 20.3 1.0
C A:GLY78 4.6 16.3 1.0
CB A:ASP79 4.6 19.1 1.0
CG A:ASP79 4.6 22.6 1.0
O A:HOH895 4.9 24.3 1.0
CG2 A:THR74 5.0 12.1 1.0
OE1 A:GLU75 5.0 32.1 1.0

Chlorine binding site 5 out of 11 in 3nra

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Chlorine binding site 5 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl510

b:37.6
occ:1.00
 NH2 A:ARG284 3.0 15.5 1.0
NH1 A:ARG284 3.2 12.0 1.0
CZ A:ARG284 3.5 14.3 1.0
CE2 A:TYR73 3.8 16.9 1.0
CD2 A:TYR73 3.9 16.9 1.0
CD1 A:LEU283 4.1 15.1 1.0
CE1 A:TYR76 4.5 23.7 1.0
O B:HOH1116 4.6 40.5 1.0
CD2 A:LEU283 4.7 13.5 1.0
NE A:ARG284 4.9 15.0 1.0
CG A:LEU283 4.9 17.0 1.0
O B:HOH1115 4.9 44.5 1.0
O B:HOH641 5.0 10.3 1.0

Chlorine binding site 6 out of 11 in 3nra

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Chlorine binding site 6 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl511

b:66.2
occ:1.00
 O A:PRO35 3.6 25.3 1.0
CB A:ALA34 4.2 33.2 1.0
O A:HOH538 4.5 16.9 1.0
C A:PRO35 4.6 26.4 1.0
CG A:GLU37 4.6 30.3 1.0
CD A:PRO35 4.8 30.7 1.0
OE2 A:GLU37 4.8 34.1 1.0
N A:PRO35 4.9 29.3 1.0

Chlorine binding site 7 out of 11 in 3nra

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Chlorine binding site 7 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:35.5
occ:1.00
 O B:HOH1137 2.7 6.0 1.0
O B:SER257 2.8 13.5 1.0
N A:GLY287 2.9 13.0 1.0
NE B:ARG260 3.0 14.7 1.0
CA B:GLY258 3.5 15.0 1.0
O A:ALA72 3.6 16.5 1.0
C B:SER257 3.6 13.9 1.0
CA A:ALA286 3.6 12.8 1.0
O B:GLY258 3.7 15.2 1.0
C B:GLY258 3.7 15.7 1.0
C A:ALA286 3.7 13.3 1.0
CD B:ARG260 3.7 14.1 1.0
CA A:GLY287 3.8 13.8 1.0
CD A:ARG284 3.8 15.1 1.0
CG A:ARG284 3.9 13.3 1.0
N B:GLY258 4.0 14.7 1.0
CZ B:ARG260 4.0 14.2 1.0
NH2 B:ARG260 4.0 14.4 1.0
CB B:ARG260 4.0 14.0 1.0
N B:ARG260 4.2 15.4 1.0
O A:ALA285 4.3 13.6 1.0
OG B:SER257 4.3 16.1 1.0
CA B:ARG260 4.4 14.3 1.0
CB A:ALA286 4.5 12.9 1.0
N B:TYR259 4.5 16.4 1.0
CG B:ARG260 4.5 13.9 1.0
N A:ALA286 4.6 13.2 1.0
C A:ALA72 4.8 15.7 1.0
NH1 A:ARG284 4.8 12.0 1.0
C A:ALA285 4.8 12.4 1.0
CA B:SER257 4.8 14.8 1.0
C B:TYR259 4.9 15.7 1.0
O A:ALA286 4.9 13.0 1.0
C A:GLY287 5.0 13.5 1.0

Chlorine binding site 8 out of 11 in 3nra

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Chlorine binding site 8 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution


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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:24.0
occ:1.00
 ND1 B:HIS51 3.1 16.4 1.0
NE B:ARG307 3.3 17.9 1.0
NH1 B:ARG310 3.6 39.6 1.0
CD B:ARG310 3.8 27.2 1.0
CA B:ARG307 3.8 18.9 1.0
CG B:ARG307 3.8 17.0 1.0
NH2 B:ARG307 3.9 18.3 1.0
CB B:ARG307 3.9 17.9 1.0
CZ B:ARG307 4.0 19.4 1.0
CG B:HIS51 4.0 18.5 1.0
CB B:HIS51 4.0 17.9 1.0
CE1 B:HIS311 4.1 18.1 1.0
CD B:ARG307 4.1 18.0 1.0
CE1 B:HIS51 4.1 18.4 1.0
CB B:ARG310 4.2 19.7 1.0
O B:ARG307 4.3 18.4 1.0
ND1 B:HIS311 4.3 15.9 1.0
CZ B:ARG310 4.4 38.7 1.0
NE B:ARG310 4.4 33.1 1.0
CG B:ARG310 4.4 23.3 1.0
C B:ARG307 4.5 18.2 1.0
CA B:HIS51 4.5 17.0 1.0
O B:HOH842 4.7 29.6 1.0
N B:ARG307 4.8 20.4 1.0
O B:HOH686 5.0 24.6 1.0

Chlorine binding site 9 out of 11 in 3nra

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Chlorine binding site 9 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution


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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:21.9
occ:1.00
 O B:HOH665 2.9 21.2 1.0
N B:LEU80 3.3 18.3 1.0
N B:GLU75 3.4 16.2 1.0
CA B:ASP79 3.6 17.3 1.0
CG B:GLU75 3.8 22.8 1.0
C B:ASP79 4.0 17.7 1.0
CA B:THR74 4.0 14.8 1.0
CB B:GLU75 4.0 18.6 1.0
CB B:LEU80 4.1 19.2 1.0
O B:GLY78 4.2 15.0 1.0
CD B:GLU75 4.2 29.6 1.0
CB B:THR74 4.2 14.5 1.0
O B:HOH1140 4.2 31.0 1.0
C B:THR74 4.2 15.5 1.0
OE2 B:GLU75 4.3 33.9 1.0
CA B:LEU80 4.3 19.0 1.0
CA B:GLU75 4.3 17.5 1.0
N B:ASP79 4.4 16.7 1.0
OD2 B:ASP79 4.5 31.0 1.0
CB B:ASP79 4.5 18.1 1.0
CG B:ASP79 4.5 22.1 1.0
C B:GLY78 4.6 15.7 1.0
O B:HOH593 4.9 21.6 1.0

Chlorine binding site 10 out of 11 in 3nra

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Chlorine binding site 10 out of 11 in the Crystal Structure of An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution


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 An Aspartate Aminotransferase (YP_354942.1) From Rhodobacter Sphaeroides 2.4.1 at 2.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:30.5
occ:1.00
 O B:HOH973 2.8 21.9 1.0
O A:HOH867 3.0 27.8 1.0
NH2 B:ARG284 3.1 15.0 1.0
NH1 B:ARG284 3.3 12.8 1.0
CZ B:ARG284 3.7 15.6 1.0
CE2 B:TYR73 4.0 15.4 1.0
CD2 B:TYR73 4.0 15.5 1.0
CD1 B:LEU283 4.0 17.3 1.0
CE1 B:TYR76 4.5 20.9 1.0
CD2 B:LEU283 4.7 16.5 1.0
CG B:LEU283 4.8 17.2 1.0
OH B:TYR76 4.9 26.0 1.0
O A:HOH681 4.9 15.9 1.0
NE B:ARG284 5.0 15.6 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 01:09:14 2024

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