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Chlorine in PDB 3mn1: Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A

Protein crystallography data

The structure of Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A, PDB code: 3mn1 was solved by Y.Patskovsky, U.Ramagopal, R.Toro, J.Freeman, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structural Genomics(Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.965, 127.023, 107.418, 90.00, 95.27, 90.00
R / Rfree (%) 17.5 / 22.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A (pdb code 3mn1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A, PDB code: 3mn1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3mn1

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Chlorine binding site 1 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl188

b:46.9
occ:1.00
 O A:HOH1475 2.9 55.5 1.0
O A:HOH1473 3.1 49.1 1.0
NH2 A:ARG77 3.3 42.9 1.0
NH1 A:ARG77 3.3 33.2 1.0
CZ A:ARG77 3.7 40.7 1.0
CA A:GLY50 3.7 21.7 1.0
CD1 C:LEU33 4.1 25.9 1.0
O A:THR47 4.2 26.8 1.0
N A:GLY50 4.2 20.2 1.0
NH1 C:ARG69 4.3 43.8 1.0
CD2 A:LEU81 4.4 39.2 1.0
C A:GLY50 4.6 23.8 1.0
CA A:THR47 4.6 27.5 1.0
O A:HOH1474 4.6 43.2 1.0
O A:ASN46 4.7 20.0 1.0
C A:THR47 4.8 24.1 1.0
N A:GLN51 4.8 19.0 1.0
NE A:ARG77 5.0 39.4 1.0

Chlorine binding site 2 out of 12 in 3mn1

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Chlorine binding site 2 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl188

b:48.9
occ:1.00
 NH2 B:ARG77 3.1 30.9 1.0
O K:HOH1181 3.3 46.5 1.0
NH1 B:ARG77 3.3 27.8 1.0
CZ B:ARG77 3.6 30.6 1.0
O B:HOH1436 3.7 52.9 1.0
CA B:GLY50 3.8 28.2 1.0
CD1 K:LEU33 3.8 30.5 1.0
CA B:THR47 4.0 31.7 0.5
CA B:THR47 4.0 32.5 0.5
O B:THR47 4.1 27.9 1.0
CG2 B:THR47 4.1 32.2 0.5
N B:GLY50 4.3 28.0 1.0
CD2 B:LEU81 4.3 33.6 1.0
O B:ASN46 4.4 29.4 1.0
OG1 B:THR47 4.5 38.7 0.5
O B:HOH1531 4.5 55.9 1.0
NH1 K:ARG69 4.5 46.3 1.0
C B:THR47 4.5 30.5 1.0
CB B:THR47 4.6 34.8 0.5
C B:GLY50 4.6 29.1 1.0
CB B:THR47 4.7 35.7 0.5
N B:THR47 4.8 30.4 1.0
N B:GLN51 4.9 29.3 1.0
C B:ASN46 4.9 30.4 1.0
NE B:ARG77 5.0 30.0 1.0

Chlorine binding site 3 out of 12 in 3mn1

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Chlorine binding site 3 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl188

b:47.0
occ:1.00
 NH1 C:ARG77 3.1 27.0 1.0
O D:HOH1490 3.2 57.6 1.0
NH2 C:ARG77 3.2 23.1 1.0
O C:HOH1489 3.4 45.0 1.0
CZ C:ARG77 3.6 22.4 1.0
CA C:GLY50 3.7 26.3 1.0
CD1 D:LEU33 4.0 34.8 1.0
O C:THR47 4.0 27.2 1.0
CA C:THR47 4.0 23.0 0.5
CA C:THR47 4.1 23.1 0.5
O C:HOH1491 4.1 51.5 1.0
CG2 C:THR47 4.1 22.2 0.5
CD2 C:LEU81 4.3 22.1 1.0
N C:GLY50 4.3 24.1 1.0
O C:HOH979 4.3 46.5 1.0
O C:ASN46 4.4 22.3 1.0
C C:GLY50 4.4 27.5 1.0
NH1 D:ARG69 4.5 32.4 1.0
CB C:THR47 4.5 30.2 0.5
C C:THR47 4.5 24.7 1.0
O D:HOH1393 4.6 43.5 1.0
OG1 C:THR47 4.7 28.9 0.5
N C:GLN51 4.7 25.8 1.0
CB C:THR47 4.9 27.3 0.5
NE C:ARG77 4.9 21.7 1.0
N C:THR47 4.9 27.0 1.0

Chlorine binding site 4 out of 12 in 3mn1

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Chlorine binding site 4 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl188

b:34.1
occ:1.00
 NH1 D:ARG77 3.2 22.4 1.0
O D:HOH1130 3.2 31.4 1.0
NH2 D:ARG77 3.2 22.5 1.0
CA D:GLY50 3.6 20.9 1.0
O H:HOH343 3.6 40.7 1.0
CZ D:ARG77 3.6 25.6 1.0
CA D:THR47 3.9 17.4 0.5
CA D:THR47 3.9 19.7 0.5
O D:THR47 3.9 22.1 1.0
CD1 H:LEU33 3.9 27.8 1.0
N D:GLY50 4.2 16.5 1.0
CG2 D:THR47 4.2 12.2 0.5
OG1 D:THR47 4.2 29.0 0.5
CD2 D:LEU81 4.3 21.2 1.0
C D:THR47 4.4 18.1 1.0
O D:ASN46 4.4 19.1 1.0
CB D:THR47 4.4 23.9 0.5
C D:GLY50 4.4 21.9 1.0
O D:HOH1131 4.6 40.2 1.0
CB D:THR47 4.6 24.6 0.5
NH1 H:ARG69 4.6 29.8 1.0
N D:GLN51 4.7 21.1 1.0
N D:THR47 4.8 18.1 1.0
O D:HOH656 4.9 42.4 1.0
C D:ASN46 4.9 19.5 1.0
NE D:ARG77 4.9 25.6 1.0

Chlorine binding site 5 out of 12 in 3mn1

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Chlorine binding site 5 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl188

b:47.3
occ:1.00
 O I:HOH1578 3.1 56.1 1.0
NH1 E:ARG77 3.2 29.0 1.0
NH2 E:ARG77 3.3 30.7 1.0
CA E:GLY50 3.7 26.1 1.0
CZ E:ARG77 3.7 36.9 1.0
CD1 I:LEU33 3.9 33.4 1.0
CA E:THR47 4.2 24.9 0.5
O E:THR47 4.2 28.3 1.0
CA E:THR47 4.3 25.9 0.5
NH1 I:ARG69 4.3 32.9 1.0
CD2 E:LEU81 4.3 30.6 1.0
N E:GLY50 4.4 28.1 1.0
CG2 E:THR47 4.4 24.4 0.5
C E:GLY50 4.5 29.7 1.0
O E:ASN46 4.6 26.4 1.0
C E:THR47 4.7 26.7 1.0
CB E:THR47 4.7 29.8 0.5
N E:GLN51 4.8 30.7 1.0
OG1 E:THR47 4.8 31.2 0.5
NE E:ARG77 5.0 26.9 1.0

Chlorine binding site 6 out of 12 in 3mn1

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Chlorine binding site 6 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl188

b:46.1
occ:1.00
 NH1 F:ARG77 3.3 33.2 1.0
NH2 F:ARG77 3.3 33.5 1.0
CA F:GLY50 3.7 22.1 1.0
CZ F:ARG77 3.7 33.3 1.0
CD1 E:LEU33 4.1 29.6 1.0
O F:THR47 4.1 34.9 1.0
NH1 E:ARG69 4.2 37.5 1.0
N F:GLY50 4.3 24.8 1.0
CA F:THR47 4.3 28.7 1.0
CD2 F:LEU81 4.4 41.0 1.0
O E:HOH1503 4.4 42.5 1.0
C F:GLY50 4.5 26.3 1.0
O F:ASN46 4.6 22.4 1.0
C F:THR47 4.6 34.4 1.0
N F:GLN51 4.8 23.8 1.0
OG1 F:THR47 4.9 48.9 1.0

Chlorine binding site 7 out of 12 in 3mn1

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Chlorine binding site 7 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl188

b:37.8
occ:1.00
 NH1 G:ARG77 3.2 27.6 1.0
O G:HOH1118 3.2 41.6 1.0
NH2 G:ARG77 3.3 25.4 1.0
CZ G:ARG77 3.7 32.6 1.0
CA G:GLY50 3.7 25.1 1.0
CD1 F:LEU33 3.8 33.2 1.0
CA G:THR47 4.0 22.9 1.0
O G:THR47 4.1 23.3 1.0
N G:GLY50 4.4 24.2 1.0
CD2 G:LEU81 4.4 30.2 1.0
NZ G:LYS54 4.4 73.3 1.0
CG2 G:THR47 4.4 31.3 1.0
C G:GLY50 4.5 25.6 1.0
O G:ASN46 4.5 19.3 1.0
CB G:THR47 4.5 28.6 1.0
C G:THR47 4.5 18.6 1.0
NH1 F:ARG69 4.6 36.6 1.0
O G:HOH640 4.7 40.4 1.0
N G:GLN51 4.7 25.8 1.0
O G:HOH1117 4.9 52.9 1.0
N G:THR47 4.9 22.6 1.0
NE G:ARG77 5.0 27.8 1.0

Chlorine binding site 8 out of 12 in 3mn1

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Chlorine binding site 8 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl188

b:36.9
occ:1.00
 NH1 H:ARG77 3.2 25.2 1.0
O A:HOH988 3.2 45.3 1.0
NH2 H:ARG77 3.3 21.2 1.0
O H:HOH957 3.3 38.7 1.0
CA H:GLY50 3.6 24.1 1.0
CZ H:ARG77 3.6 25.8 1.0
CA H:THR47 3.9 20.9 1.0
CD1 A:LEU33 3.9 25.1 1.0
O H:THR47 4.0 28.6 1.0
N H:GLY50 4.2 22.8 1.0
CD2 H:LEU81 4.3 27.9 1.0
O H:ASN46 4.4 18.4 1.0
C H:GLY50 4.4 21.3 1.0
CG2 H:THR47 4.4 30.5 1.0
C H:THR47 4.4 17.5 1.0
CB H:THR47 4.5 27.5 1.0
N H:GLN51 4.6 21.2 1.0
N H:THR47 4.8 21.1 1.0
NZ H:LYS54 4.8 57.5 1.0
C H:ASN46 4.9 18.0 1.0
NE H:ARG77 4.9 24.8 1.0
NH1 A:ARG69 5.0 35.2 1.0

Chlorine binding site 9 out of 12 in 3mn1

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Chlorine binding site 9 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl188

b:38.7
occ:1.00
 NH1 I:ARG77 3.2 28.7 1.0
NH2 I:ARG77 3.2 30.3 1.0
O G:HOH1125 3.3 41.7 1.0
CZ I:ARG77 3.6 27.7 1.0
O I:HOH1142 3.7 42.9 1.0
CA I:GLY50 3.7 28.1 1.0
O I:THR47 3.9 30.4 1.0
CA I:THR47 3.9 27.4 0.5
CD1 G:LEU33 4.0 34.9 1.0
CA I:THR47 4.0 27.8 0.5
N I:GLY50 4.3 28.9 1.0
O I:HOH750 4.3 46.0 1.0
CG2 I:THR47 4.3 25.1 0.5
OG1 I:THR47 4.4 32.3 0.5
C I:THR47 4.4 26.7 1.0
O I:ASN46 4.4 22.1 1.0
CD2 I:LEU81 4.4 24.3 1.0
C I:GLY50 4.5 26.2 1.0
CB I:THR47 4.5 31.4 0.5
O I:HOH734 4.6 46.6 1.0
NH1 G:ARG69 4.6 26.6 1.0
N I:GLN51 4.7 23.8 1.0
CB I:THR47 4.7 31.3 0.5
N I:THR47 4.8 24.8 1.0
NE I:ARG77 4.9 24.4 1.0
C I:ASN46 4.9 22.2 1.0

Chlorine binding site 10 out of 12 in 3mn1

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Chlorine binding site 10 out of 12 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl188

b:52.4
occ:1.00
 NH1 J:ARG77 3.3 35.8 1.0
NH2 J:ARG77 3.4 38.9 1.0
CA J:GLY50 3.7 24.1 1.0
CZ J:ARG77 3.8 37.1 1.0
CD1 B:LEU33 3.8 31.9 1.0
NH1 B:ARG69 3.9 36.9 1.0
CA J:THR47 4.0 30.5 1.0
O J:THR47 4.1 26.4 1.0
N J:GLY50 4.3 27.6 1.0
CG2 J:THR47 4.4 45.0 1.0
C J:THR47 4.5 27.6 1.0
O J:ASN46 4.6 20.6 1.0
C J:GLY50 4.6 28.7 1.0
CB J:THR47 4.6 37.4 1.0
CD2 J:LEU81 4.7 41.1 1.0
N J:GLN51 4.9 26.6 1.0
N J:THR47 4.9 26.4 1.0

Reference:

K.D.Daughtry, H.Huang, V.Malashkevich, Y.Patskovsky, W.Liu, U.Ramagopal, J.M.Sauder, S.K.Burley, S.C.Almo, D.Dunaway-Mariano, K.N.Allen. Structural Basis For the Divergence of Substrate Specificity and Biological Function Within Had Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis. Biochemistry V. 52 5372 2013.
ISSN: ISSN 0006-2960
PubMed: 23848398
DOI: 10.1021/BI400659K
Page generated: Sat Dec 12 09:55:22 2020

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