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Chlorine in PDB 6dy2: Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726

Enzymatic activity of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726

All present enzymatic activity of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726:
3.5.1.60;

Protein crystallography data

The structure of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726, PDB code: 6dy2 was solved by A.Gorelik, A.Gebai, K.Illes, D.Piomelli, B.Nagar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.43 / 2.71
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 71.885, 98.863, 117.761, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 23.3

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 (pdb code 6dy2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726, PDB code: 6dy2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 6dy2

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Chlorine binding site 1 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:55.0
occ:1.00
 O A:HOH328 2.9 35.4 1.0
HH22 A:ARG45 3.1 21.2 1.0
HG3 A:PRO92 3.4 20.2 1.0
HB3 A:PRO92 3.7 25.1 1.0
HH12 A:ARG45 3.7 20.8 1.0
NH2 A:ARG45 3.9 17.7 1.0
CG A:PRO92 4.2 16.9 1.0
CB A:PRO92 4.3 20.9 1.0
HH21 A:ARG45 4.3 21.2 1.0
HD22 A:LEU38 4.4 21.3 1.0
NH1 A:ARG45 4.4 17.4 1.0
HG3 A:PRO42 4.4 24.4 1.0
HD3 A:PRO92 4.4 26.6 1.0
HB3 A:LEU38 4.5 23.0 1.0
CZ A:ARG45 4.5 17.3 1.0
O A:HOH330 4.6 24.8 1.0
O A:LEU38 4.6 24.1 1.0
HB2 A:PRO92 4.7 25.1 1.0
CD A:PRO92 4.9 22.2 1.0
HG2 A:PRO92 4.9 20.2 1.0

Chlorine binding site 2 out of 11 in 6dy2

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Chlorine binding site 2 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:28.5
occ:1.00
 HE B:ARG300 2.3 42.2 1.0
HH21 B:ARG300 2.5 34.0 1.0
H B:THR285 2.6 25.1 1.0
HB B:THR285 2.7 30.4 1.0
NE B:ARG300 3.1 35.1 1.0
H B:TYR287 3.2 21.8 1.0
NH2 B:ARG300 3.2 28.3 1.0
O B:TYR287 3.3 18.7 1.0
N B:THR285 3.3 20.9 1.0
CB B:THR285 3.4 25.3 1.0
HB2 B:ARG300 3.5 26.8 1.0
OG1 B:THR285 3.5 42.2 1.0
HB2 B:TYR287 3.5 23.9 1.0
HG11 B:VAL293 3.5 43.6 1.0
HG12 B:VAL293 3.6 43.6 1.0
HG1 B:THR285 3.6 50.7 1.0
CZ B:ARG300 3.6 29.9 1.0
HD2 B:TYR287 3.7 29.9 1.0
HA B:GLU284 3.8 14.2 1.0
HG3 B:ARG300 3.8 30.3 1.0
H B:ASN286 3.9 27.8 1.0
CA B:THR285 3.9 20.1 1.0
CG1 B:VAL293 3.9 36.4 1.0
HH22 B:ARG300 3.9 34.0 1.0
N B:TYR287 4.0 18.2 1.0
OE2 B:GLU284 4.1 22.2 1.0
C B:TYR287 4.1 18.5 1.0
HG13 B:VAL293 4.1 43.6 1.0
HA B:HIS289 4.2 27.3 1.0
CD B:ARG300 4.2 33.6 1.0
CG B:ARG300 4.3 25.3 1.0
CB B:ARG300 4.3 22.3 1.0
N B:ASN286 4.3 23.2 1.0
CB B:TYR287 4.3 19.9 1.0
C B:GLU284 4.3 13.8 1.0
CA B:TYR287 4.4 18.1 1.0
C B:THR285 4.5 21.4 1.0
CA B:GLU284 4.5 11.8 1.0
CD2 B:TYR287 4.5 24.9 1.0
CD B:GLU284 4.5 12.2 1.0
CG2 B:THR285 4.7 44.6 1.0
HB3 B:ARG300 4.7 26.8 1.0
OE1 B:GLU284 4.7 10.9 1.0
HA B:THR285 4.7 24.2 1.0
HD3 B:ARG300 4.8 40.3 1.0
HG21 B:THR285 4.8 53.5 1.0
O B:VAL283 4.8 12.4 1.0
HD2 B:ARG300 4.8 40.3 1.0
NH1 B:ARG300 4.9 36.3 1.0
HG12 B:VAL283 5.0 14.2 1.0
CG B:TYR287 5.0 21.2 1.0

Chlorine binding site 3 out of 11 in 6dy2

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Chlorine binding site 3 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:53.2
occ:1.00
 HB3 B:TYR287 2.7 23.9 1.0
H B:ASP288 3.2 22.6 1.0
HD1 B:TYR287 3.3 36.4 1.0
HB2 B:LYS291 3.6 52.9 1.0
CB B:TYR287 3.6 19.9 1.0
HD3 B:LYS291 3.7 61.6 1.0
HD2 B:LYS291 3.7 61.6 1.0
HA B:TYR287 3.9 21.7 1.0
N B:ASP288 3.9 18.8 1.0
CD1 B:TYR287 4.1 30.3 1.0
HB2 B:ASP288 4.1 36.0 1.0
CD B:LYS291 4.1 51.3 1.0
HB2 B:TYR287 4.2 23.9 1.0
CA B:TYR287 4.2 18.1 1.0
HB3 B:LYS291 4.3 52.9 1.0
CG B:TYR287 4.3 21.2 1.0
CB B:LYS291 4.3 44.1 1.0
O B:PRO292 4.5 38.8 1.0
C B:TYR287 4.6 18.5 1.0
HD3 B:PRO294 4.7 40.8 1.0
CB B:ASP288 4.8 30.0 1.0
HZ3 B:LYS291 4.9 53.0 1.0
HA B:VAL293 4.9 41.4 1.0
CA B:ASP288 4.9 20.6 1.0
CG B:LYS291 4.9 42.8 1.0
O B:ASP288 4.9 28.9 1.0
CG B:ASP288 4.9 23.1 1.0
OD2 B:ASP288 5.0 32.1 1.0

Chlorine binding site 4 out of 11 in 6dy2

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Chlorine binding site 4 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:56.1
occ:1.00
 HH11 B:ARG264 2.9 0.0 1.0
HB3 B:ASN263 3.3 28.6 1.0
H B:ARG264 3.3 28.6 1.0
NH1 B:ARG264 3.4 93.3 1.0
HH12 B:ARG264 3.4 0.0 1.0
HG3 B:ARG264 3.5 44.4 1.0
OD1 B:ASP244 3.8 50.9 1.0
O B:HOH544 3.9 21.9 1.0
OD2 B:ASP244 4.0 36.9 1.0
HD2 B:ARG264 4.1 73.4 1.0
CB B:ASN263 4.2 23.8 1.0
N B:ARG264 4.2 23.8 1.0
HB2 B:ARG264 4.2 43.6 1.0
HA B:ASN263 4.3 28.4 1.0
OD1 B:ASN263 4.3 30.4 1.0
CG B:ARG264 4.3 37.0 1.0
CG B:ASP244 4.4 31.2 1.0
CG B:ASN263 4.4 20.2 1.0
CZ B:ARG264 4.5 91.3 1.0
H B:LYS197 4.6 0.0 1.0
CD B:ARG264 4.7 61.2 1.0
CA B:ASN263 4.7 23.7 1.0
CB B:ARG264 4.7 36.4 1.0
HB2 B:ASP196 4.8 96.0 1.0
HB2 B:ASN263 4.9 28.6 1.0
H B:GLY265 5.0 25.8 1.0
C B:ASN263 5.0 21.8 1.0
NE B:ARG264 5.0 80.4 1.0

Chlorine binding site 5 out of 11 in 6dy2

Go back to Chlorine Binding Sites List in 6dy2
Chlorine binding site 5 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:52.4
occ:1.00
 HZ2 B:LYS347 2.3 78.9 1.0
HZ1 B:LYS347 2.6 78.9 1.0
NZ B:LYS347 2.8 65.7 1.0
H B:LEU317 3.2 13.1 1.0
HZ3 B:LYS347 3.3 78.9 1.0
HE1 B:TYR137 3.3 13.1 1.0
HG B:LEU317 3.5 9.7 1.0
HB2 B:SER316 3.5 13.3 1.0
HB2 B:LEU317 3.6 11.2 1.0
HD2 B:LYS347 3.7 70.0 1.0
HD12 B:LEU317 3.8 13.7 1.0
HD3 B:LYS347 4.0 70.0 1.0
CE B:LYS347 4.0 79.1 1.0
N B:LEU317 4.0 10.9 1.0
CD B:LYS347 4.1 58.3 1.0
CG B:LEU317 4.2 8.1 1.0
CE1 B:TYR137 4.2 10.9 1.0
CB B:LEU317 4.3 9.4 1.0
HA B:SER316 4.4 15.2 1.0
CB B:SER316 4.4 11.1 1.0
CD1 B:LEU317 4.4 11.4 1.0
OH B:TYR137 4.5 19.4 1.0
HE2 B:LYS347 4.5 94.9 1.0
HE3 B:LYS347 4.7 94.9 1.0
HB3 B:SER316 4.7 13.3 1.0
HD11 B:LEU317 4.7 13.7 1.0
CA B:SER316 4.8 12.7 1.0
CA B:LEU317 4.8 10.3 1.0
H B:GLU318 4.8 15.5 1.0
CZ B:TYR137 4.9 11.3 1.0
C B:SER316 5.0 12.2 1.0

Chlorine binding site 6 out of 11 in 6dy2

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Chlorine binding site 6 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:59.1
occ:1.00
 HZ1 B:LYS238 2.8 58.6 1.0
HE3 B:LYS238 3.2 62.8 1.0
HZ2 B:LYS238 3.3 58.6 1.0
NZ B:LYS238 3.4 48.9 1.0
O B:HOH560 3.5 23.9 1.0
CE B:LYS238 3.8 52.3 1.0
HZ3 B:LYS238 4.2 58.6 1.0
HE2 B:LYS238 4.2 62.8 1.0

Chlorine binding site 7 out of 11 in 6dy2

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Chlorine binding site 7 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:60.3
occ:1.00
 HH22 C:ARG45 2.6 60.3 1.0
NH2 C:ARG45 3.2 50.2 1.0
HG3 C:PRO92 3.4 51.8 1.0
HH12 C:ARG45 3.5 55.5 1.0
HH21 C:ARG45 3.6 60.3 1.0
HD22 C:LEU38 3.8 55.6 1.0
HB3 C:PRO92 3.9 52.0 1.0
HB3 C:LEU38 3.9 54.4 1.0
CZ C:ARG45 3.9 46.1 1.0
O C:LEU38 3.9 42.1 1.0
NH1 C:ARG45 4.0 46.2 1.0
CG C:PRO92 4.2 43.1 1.0
HG3 C:PRO42 4.4 66.8 1.0
CB C:PRO92 4.4 43.3 1.0
HD3 C:PRO92 4.6 44.9 1.0
CD2 C:LEU38 4.6 46.4 1.0
HD23 C:LEU38 4.7 55.6 1.0
HH11 C:ARG45 4.7 55.5 1.0
HB2 C:PRO92 4.7 52.0 1.0
HA C:LEU38 4.8 54.3 1.0
CB C:LEU38 4.8 45.4 1.0
HG2 C:PRO92 4.9 51.8 1.0
C C:LEU38 4.9 43.5 1.0

Chlorine binding site 8 out of 11 in 6dy2

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Chlorine binding site 8 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:72.6
occ:1.00
 HH22 C:ARG98 3.3 0.7 1.0
HH12 C:ARG98 3.7 0.2 1.0
NH2 C:ARG98 4.0 95.6 1.0
NH1 C:ARG98 4.3 91.0 1.0
HB1 C:ALA83 4.5 0.9 1.0
HH21 C:ARG98 4.6 0.7 1.0
CZ C:ARG98 4.6 0.4 1.0

Chlorine binding site 9 out of 11 in 6dy2

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Chlorine binding site 9 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl403

b:21.8
occ:1.00
 HE D:ARG300 2.2 53.3 1.0
H D:THR285 2.4 35.1 1.0
HH21 D:ARG300 2.6 38.8 1.0
HB D:THR285 2.6 31.5 1.0
HG1 D:THR285 2.7 52.1 1.0
NE D:ARG300 3.0 44.4 1.0
N D:THR285 3.1 29.2 1.0
OG1 D:THR285 3.2 43.4 1.0
CB D:THR285 3.2 26.2 1.0
NH2 D:ARG300 3.3 32.4 1.0
HB2 D:ARG300 3.4 43.0 1.0
H D:TYR287 3.4 29.0 1.0
HA D:GLU284 3.6 24.1 1.0
O D:TYR287 3.6 26.7 1.0
HG3 D:ARG300 3.6 51.6 1.0
CZ D:ARG300 3.6 37.5 1.0
HG11 D:VAL293 3.6 63.5 1.0
CA D:THR285 3.7 24.2 1.0
HD2 D:TYR287 3.8 37.1 1.0
HB2 D:TYR287 3.8 34.0 1.0
HG12 D:VAL293 3.9 63.5 1.0
OE2 D:GLU284 3.9 24.2 1.0
H D:ASN286 3.9 29.9 1.0
HH22 D:ARG300 4.0 38.8 1.0
CG D:ARG300 4.1 43.0 1.0
CG1 D:VAL293 4.1 52.9 1.0
C D:GLU284 4.1 22.3 1.0
CD D:ARG300 4.1 48.2 1.0
CB D:ARG300 4.2 35.9 1.0
HA D:HIS289 4.2 28.7 1.0
N D:TYR287 4.2 24.2 1.0
CA D:GLU284 4.3 20.1 1.0
HG13 D:VAL293 4.3 63.5 1.0
N D:ASN286 4.3 24.9 1.0
C D:TYR287 4.4 23.5 1.0
CD D:GLU284 4.4 19.2 1.0
C D:THR285 4.4 23.0 1.0
HA D:THR285 4.6 29.0 1.0
CB D:TYR287 4.6 28.3 1.0
CG2 D:THR285 4.6 29.8 1.0
O D:VAL283 4.6 20.9 1.0
CA D:TYR287 4.6 24.4 1.0
HB3 D:ARG300 4.6 43.0 1.0
HD3 D:ARG300 4.7 57.9 1.0
CD2 D:TYR287 4.7 31.0 1.0
OE1 D:GLU284 4.7 17.1 1.0
HG21 D:THR285 4.7 35.7 1.0
HG12 D:VAL283 4.7 21.5 1.0
HD2 D:ARG300 4.8 57.9 1.0
NH1 D:ARG300 4.9 47.8 1.0
HG22 D:THR285 5.0 35.7 1.0

Chlorine binding site 10 out of 11 in 6dy2

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Chlorine binding site 10 out of 11 in the Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Guinea Pig N-Acylethanolamine-Hydrolyzing Acid Amidase (Naaa) Covalently Bound to Beta-Lactam Inhibitor ARN726 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl404

b:45.2
occ:1.00
 O D:HOH522 2.6 26.7 1.0
HH11 D:ARG282 2.9 31.4 1.0
O D:PHE281 3.5 25.6 1.0
NH1 D:ARG282 3.6 26.2 1.0
HH12 D:ARG282 3.7 31.4 1.0
HD3 D:ARG282 3.7 15.6 1.0
HZ2 D:TRP271 3.8 19.1 1.0
HH2 D:TRP271 3.9 18.7 1.0
HE1 D:PHE281 4.0 26.8 1.0
HA D:ARG282 4.0 18.9 1.0
HB1 D:ALA279 4.2 29.2 1.0
CZ2 D:TRP271 4.2 15.9 1.0
CE1 D:PHE281 4.2 22.3 1.0
CH2 D:TRP271 4.3 15.6 1.0
CD D:ARG282 4.5 13.0 1.0
HD2 D:ARG282 4.5 15.6 1.0
CD1 D:PHE281 4.6 19.4 1.0
HD1 D:PHE281 4.6 23.2 1.0
CZ D:ARG282 4.7 15.1 1.0
C D:PHE281 4.7 21.5 1.0
CZ D:PHE281 4.7 22.7 1.0
H D:VAL283 4.8 19.6 1.0
HB2 D:ALA279 4.8 29.2 1.0
HA D:ALA279 4.8 26.4 1.0
CB D:ALA279 4.9 24.4 1.0
HZ D:PHE281 4.9 27.2 1.0
CA D:ARG282 5.0 15.8 1.0
HD13 D:ILE304 5.0 35.5 1.0

Reference:

A.Gorelik, A.Gebai, K.Illes, D.Piomelli, B.Nagar. Molecular Mechanism of Activation of the Immunoregulatory Amidase Naaa. Proc. Natl. Acad. Sci. V. 115 10032 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30301806
DOI: 10.1073/PNAS.1811759115
Page generated: Sat Jul 27 21:59:19 2024

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