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Chlorine in PDB 1o5w: The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A

Enzymatic activity of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A

All present enzymatic activity of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A:
1.4.3.4;

Protein crystallography data

The structure of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A, PDB code: 1o5w was solved by J.Ma, M.Yoshimura, E.Yamashita, A.Nakagawa, A.Ito, T.Tsukihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 16.19 / 3.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 157.560, 157.560, 257.840, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 28.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A (pdb code 1o5w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A, PDB code: 1o5w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1o5w

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Chlorine binding site 1 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl709

b:91.3
occ:1.00
 CL08 A:MLG709 0.0 91.3 1.0
C04 A:MLG709 1.7 48.1 1.0
C03 A:MLG709 2.7 81.3 1.0
C05 A:MLG709 2.8 95.7 1.0
SG A:CYS323 3.0 95.9 1.0
CD1 A:ILE325 3.8 98.8 1.0
C06 A:MLG709 4.1 98.9 1.0
CD1 A:LEU97 4.1 41.4 1.0
C02 A:MLG709 4.1 1.0 1.0
CG1 A:ILE325 4.1 78.9 1.0
CE1 A:PHE208 4.2 58.4 1.0
CZ A:PHE208 4.6 79.7 1.0
C01 A:MLG709 4.6 48.3 1.0
CB A:CYS323 4.6 62.7 1.0
O A:ALA111 4.7 52.8 1.0
CD1 A:PHE208 5.0 78.0 1.0

Chlorine binding site 2 out of 8 in 1o5w

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Chlorine binding site 2 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl709

b:87.7
occ:1.00
 CL07 A:MLG709 0.0 87.7 1.0
C02 A:MLG709 1.8 1.0 1.0
C03 A:MLG709 2.8 81.3 1.0
C01 A:MLG709 2.8 48.3 1.0
O A:THR336 3.1 40.6 1.0
O09 A:MLG709 3.1 54.4 1.0
CB A:ILE335 3.2 41.3 1.0
N A:THR336 3.3 48.3 1.0
C A:THR336 3.4 63.8 1.0
CG A:LEU337 3.5 89.4 1.0
CD1 A:ILE335 3.5 87.5 1.0
C A:ILE335 3.6 48.0 1.0
CG1 A:ILE335 3.7 89.4 1.0
CA A:THR336 3.7 89.4 1.0
CA A:ILE335 4.0 45.8 1.0
C04 A:MLG709 4.1 48.1 1.0
CD2 A:LEU337 4.1 91.2 1.0
O A:ILE335 4.1 56.1 1.0
CD1 A:LEU337 4.1 35.1 1.0
C06 A:MLG709 4.1 98.9 1.0
CG2 A:ILE335 4.2 66.4 1.0
N A:LEU337 4.3 83.8 1.0
C10 A:MLG709 4.3 50.8 1.0
CB A:LEU337 4.5 51.5 1.0
C05 A:MLG709 4.6 95.7 1.0
CE A:MET350 4.7 95.5 1.0
CA A:LEU337 4.8 61.4 1.0

Chlorine binding site 3 out of 8 in 1o5w

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Chlorine binding site 3 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1709

b:0.5
occ:1.00
 CL08 B:MLG1709 0.0 0.5 1.0
C04 B:MLG1709 1.8 0.0 1.0
C03 B:MLG1709 2.8 0.8 1.0
C05 B:MLG1709 2.8 0.7 1.0
SG B:CYS1323 3.5 0.6 1.0
CD1 B:ILE1325 3.6 54.7 1.0
CE1 B:PHE1208 3.7 0.9 1.0
CG1 B:ILE1325 4.0 0.2 1.0
CZ B:PHE1208 4.1 0.3 1.0
C06 B:MLG1709 4.1 0.1 1.0
C02 B:MLG1709 4.1 0.1 1.0
CD1 B:LEU1097 4.4 0.7 1.0
O B:ALA1111 4.4 1.0 1.0
CD1 B:PHE1208 4.5 1.0 1.0
C01 B:MLG1709 4.6 0.4 1.0

Chlorine binding site 4 out of 8 in 1o5w

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Chlorine binding site 4 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1709

b:0.5
occ:1.00
 CL07 B:MLG1709 0.0 0.5 1.0
C02 B:MLG1709 1.8 0.1 1.0
C03 B:MLG1709 2.7 0.8 1.0
C01 B:MLG1709 2.8 0.4 1.0
O09 B:MLG1709 3.1 0.6 1.0
O B:THR1336 3.3 87.2 1.0
CB B:ILE1335 3.3 66.2 1.0
CG B:LEU1337 3.5 0.7 1.0
N B:THR1336 3.6 88.7 1.0
CD1 B:ILE1335 3.6 0.4 1.0
C B:THR1336 3.7 0.7 1.0
CG1 B:ILE1335 3.7 0.6 1.0
C B:ILE1335 3.8 93.0 1.0
CA B:THR1336 4.0 84.2 1.0
CD1 B:LEU1337 4.1 0.8 1.0
CD2 B:LEU1337 4.1 54.0 1.0
C04 B:MLG1709 4.1 0.0 1.0
C06 B:MLG1709 4.1 0.1 1.0
CA B:ILE1335 4.2 75.3 1.0
CG2 B:ILE1335 4.2 65.5 1.0
C10 B:MLG1709 4.3 0.3 1.0
O B:ILE1335 4.3 85.3 1.0
N B:LEU1337 4.5 0.9 1.0
CB B:LEU1337 4.5 84.3 1.0
C05 B:MLG1709 4.6 0.7 1.0
CE B:MET1350 4.7 68.6 1.0
CA B:LEU1337 5.0 0.3 1.0

Chlorine binding site 5 out of 8 in 1o5w

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Chlorine binding site 5 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2709

b:0.4
occ:1.00
 CL08 C:MLG2709 0.0 0.4 1.0
C04 C:MLG2709 1.8 0.7 1.0
C03 C:MLG2709 2.8 0.3 1.0
C05 C:MLG2709 2.8 0.7 1.0
SG C:CYS2323 3.2 89.8 1.0
CD1 C:ILE2325 3.5 0.3 1.0
CG1 C:ILE2325 3.8 38.9 1.0
CE1 C:PHE2208 3.9 90.0 1.0
C06 C:MLG2709 4.1 0.7 1.0
C02 C:MLG2709 4.1 0.4 1.0
CZ C:PHE2208 4.3 97.1 1.0
CD1 C:LEU2097 4.3 89.4 1.0
C01 C:MLG2709 4.6 76.6 1.0
O C:ALA2111 4.7 94.5 1.0
CD1 C:PHE2208 4.8 43.3 1.0
CB C:CYS2323 4.9 71.7 1.0

Chlorine binding site 6 out of 8 in 1o5w

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Chlorine binding site 6 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2709

b:62.6
occ:1.00
 CL07 C:MLG2709 0.0 62.6 1.0
C02 C:MLG2709 1.8 0.4 1.0
C03 C:MLG2709 2.8 0.3 1.0
C01 C:MLG2709 2.8 76.6 1.0
CB C:ILE2335 3.1 89.4 1.0
O09 C:MLG2709 3.1 77.1 1.0
O C:THR2336 3.2 40.9 1.0
N C:THR2336 3.3 34.4 1.0
CD1 C:ILE2335 3.4 85.0 1.0
C C:THR2336 3.5 42.0 1.0
CG1 C:ILE2335 3.5 53.0 1.0
C C:ILE2335 3.5 42.8 1.0
CG C:LEU2337 3.6 56.7 1.0
CA C:THR2336 3.7 45.0 1.0
CA C:ILE2335 3.9 63.1 1.0
O C:ILE2335 4.0 49.5 1.0
CG2 C:ILE2335 4.1 65.9 1.0
C04 C:MLG2709 4.1 0.7 1.0
C06 C:MLG2709 4.1 0.7 1.0
CD1 C:LEU2337 4.2 47.8 1.0
CD2 C:LEU2337 4.2 74.8 1.0
N C:LEU2337 4.3 81.5 1.0
C10 C:MLG2709 4.3 86.5 1.0
CB C:LEU2337 4.6 89.4 1.0
C05 C:MLG2709 4.7 0.7 1.0
CE C:MET2350 4.7 0.2 1.0
CA C:LEU2337 4.9 48.9 1.0

Chlorine binding site 7 out of 8 in 1o5w

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Chlorine binding site 7 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl3709

b:0.5
occ:1.00
 CL08 D:MLG3709 0.0 0.5 1.0
C04 D:MLG3709 1.8 0.7 1.0
C03 D:MLG3709 2.8 0.5 1.0
C05 D:MLG3709 2.8 0.5 1.0
SG D:CYS3323 3.4 0.1 1.0
CD1 D:ILE3325 3.7 87.8 1.0
CE1 D:PHE3208 3.7 0.5 1.0
CG1 D:ILE3325 4.1 92.9 1.0
C06 D:MLG3709 4.1 0.2 1.0
C02 D:MLG3709 4.1 0.2 1.0
CZ D:PHE3208 4.1 0.2 1.0
CD1 D:LEU3097 4.3 85.3 1.0
O D:ALA3111 4.4 64.8 1.0
CD1 D:PHE3208 4.6 0.8 1.0
C01 D:MLG3709 4.6 0.9 1.0

Chlorine binding site 8 out of 8 in 1o5w

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Chlorine binding site 8 out of 8 in the The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure Basis of Specific Recognitions For Substrates and Inhibitors of Rat Monoamine Oxidase A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl3709

b:1.0
occ:1.00
 CL07 D:MLG3709 0.0 1.0 1.0
C02 D:MLG3709 1.8 0.2 1.0
C03 D:MLG3709 2.8 0.5 1.0
C01 D:MLG3709 2.8 0.9 1.0
O09 D:MLG3709 3.1 0.9 1.0
CB D:ILE3335 3.2 44.6 1.0
O D:THR3336 3.3 68.8 1.0
N D:THR3336 3.4 87.5 1.0
CD1 D:ILE3335 3.5 1.0 1.0
CG1 D:ILE3335 3.6 0.7 1.0
CG D:LEU3337 3.6 0.7 1.0
C D:THR3336 3.6 99.8 1.0
C D:ILE3335 3.7 68.2 1.0
CA D:THR3336 3.9 89.3 1.0
CA D:ILE3335 4.0 74.5 1.0
CG2 D:ILE3335 4.1 86.4 1.0
C04 D:MLG3709 4.1 0.7 1.0
C06 D:MLG3709 4.1 0.2 1.0
CD2 D:LEU3337 4.2 75.2 1.0
CD1 D:LEU3337 4.2 0.6 1.0
O D:ILE3335 4.2 86.6 1.0
C10 D:MLG3709 4.3 0.8 1.0
N D:LEU3337 4.4 79.8 1.0
CB D:LEU3337 4.6 0.8 1.0
C05 D:MLG3709 4.6 0.5 1.0
CE D:MET3350 4.8 91.5 1.0
CA D:LEU3337 5.0 62.4 1.0

Reference:

J.Ma, M.Yoshimura, E.Yamashita, A.Nakagawa, A.Ito, T.Tsukihara. Structure of Rat Monoamine Oxidase A and Its Specific Recognitions For Substrates and Inhibitors. J.Mol.Biol. V. 338 103 2004.
ISSN: ISSN 0022-2836
PubMed: 15050826
DOI: 10.1016/J.JMB.2004.02.032
Page generated: Sat Jul 20 00:48:25 2024

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