Zinc in PDB 6slf: Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor

Protein crystallography data

The structure of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor, PDB code: 6slf was solved by A.Natsch, R.Emter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.58 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.688, 181.919, 93.122, 90.00, 104.14, 90.00
R / Rfree (%) 18.2 / 21

Zinc Binding Sites:

The binding sites of Zinc atom in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor (pdb code 6slf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor, PDB code: 6slf:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 6slf

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Zinc binding site 1 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:27.4
occ:1.00
 NE2 A:HIS107 2.0 14.7 1.0
O15 A:LJ8403 2.0 14.1 1.0
NE2 A:HIS168 2.0 16.4 1.0
O A:HOH502 2.5 25.7 1.0
SG A:CYS105 2.7 16.6 1.0
CE1 A:HIS107 3.0 13.8 1.0
CD2 A:HIS107 3.0 14.4 1.0
CE1 A:HIS168 3.0 16.5 1.0
CD2 A:HIS168 3.0 16.3 1.0
P13 A:LJ8403 3.2 17.7 1.0
C11 A:LJ8403 3.5 21.7 1.0
ZN A:ZN402 3.5 24.6 1.0
CB A:CYS105 3.7 15.1 1.0
OE2 A:GLU141 3.7 16.6 1.0
OE1 A:GLU140 3.7 26.0 1.0
O14 A:LJ8403 4.0 18.2 1.0
OD2 A:ASP79 4.0 26.5 1.0
ND1 A:HIS107 4.1 16.5 1.0
O A:CYS105 4.1 16.2 1.0
CG A:HIS107 4.1 14.1 1.0
ND1 A:HIS168 4.1 16.8 1.0
CG A:HIS168 4.2 16.7 1.0
CE1 A:HIS110 4.4 19.5 1.0
CD A:GLU140 4.5 26.4 1.0
CD A:GLU141 4.6 16.6 1.0
C16 A:LJ8403 4.6 17.7 1.0
C A:CYS105 4.7 15.9 1.0
C10 A:LJ8403 4.8 23.5 1.0
CA A:CYS105 4.8 15.9 1.0
OE1 A:GLU339 4.8 24.3 1.0
OE2 A:GLU140 4.9 27.1 1.0
CG A:ASP79 4.9 21.6 1.0

Zinc binding site 2 out of 8 in 6slf

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Zinc binding site 2 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:24.6
occ:1.00
 OE2 A:GLU141 2.0 16.6 1.0
NE2 A:HIS370 2.0 17.4 1.0
SG A:CYS105 2.4 16.6 1.0
O14 A:LJ8403 2.4 18.2 1.0
CD A:GLU141 2.7 16.6 1.0
OE1 A:GLU141 2.7 15.0 1.0
O15 A:LJ8403 2.9 14.1 1.0
CE1 A:HIS370 3.0 16.9 1.0
CD2 A:HIS370 3.0 17.0 1.0
P13 A:LJ8403 3.1 17.7 1.0
CB A:CYS105 3.1 15.1 1.0
ZN A:ZN401 3.5 27.4 1.0
NE2 B:HIS202 4.1 20.1 1.0
ND1 A:HIS370 4.1 17.8 1.0
CG A:GLU141 4.1 16.8 1.0
CG A:HIS370 4.1 14.7 1.0
NE2 A:HIS107 4.3 14.7 1.0
C17 A:LJ8403 4.3 16.1 1.0
CD2 B:HIS202 4.3 17.6 1.0
CD1 A:LEU83 4.3 17.4 1.0
C11 A:LJ8403 4.4 21.7 1.0
C16 A:LJ8403 4.4 17.7 1.0
O A:HOH702 4.4 16.4 1.0
CA A:CYS105 4.5 15.9 1.0
CE1 A:HIS107 4.6 13.8 1.0
OE1 A:GLU140 4.8 26.0 1.0
ND2 B:ASN251 4.9 18.1 1.0
C10 A:LJ8403 4.9 23.5 1.0
C18 A:LJ8403 4.9 19.0 1.0
NE2 A:HIS168 5.0 16.4 1.0

Zinc binding site 3 out of 8 in 6slf

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Zinc binding site 3 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:25.9
occ:1.00
 OE2 B:GLU141 2.0 17.1 1.0
NE2 B:HIS370 2.1 17.8 1.0
O14 B:LJ8403 2.3 19.9 1.0
SG B:CYS105 2.4 16.8 1.0
CD B:GLU141 2.7 18.1 1.0
OE1 B:GLU141 2.7 18.3 1.0
O15 B:LJ8403 2.9 18.4 1.0
CE1 B:HIS370 3.0 18.3 1.0
P13 B:LJ8403 3.1 18.1 1.0
CD2 B:HIS370 3.1 16.2 1.0
CB B:CYS105 3.1 16.8 1.0
ZN B:ZN402 3.5 29.7 1.0
ND1 B:HIS370 4.1 18.4 1.0
NE2 A:HIS202 4.1 18.0 1.0
CG B:GLU141 4.2 17.2 1.0
CG B:HIS370 4.2 17.9 1.0
C17 B:LJ8403 4.3 16.8 1.0
NE2 B:HIS107 4.3 15.3 1.0
CD2 A:HIS202 4.3 18.2 1.0
CD1 B:LEU83 4.3 19.7 1.0
C16 B:LJ8403 4.4 17.5 1.0
C11 B:LJ8403 4.4 22.4 1.0
CA B:CYS105 4.5 17.1 1.0
O B:HOH615 4.5 19.5 1.0
CE1 B:HIS107 4.6 15.9 1.0
OE1 B:GLU140 4.8 28.7 1.0
C10 B:LJ8403 4.8 22.9 1.0
ND2 A:ASN251 4.9 16.7 1.0
C18 B:LJ8403 4.9 20.3 1.0
NE2 B:HIS168 5.0 18.2 1.0

Zinc binding site 4 out of 8 in 6slf

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Zinc binding site 4 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:29.7
occ:1.00
 NE2 B:HIS107 2.0 15.3 1.0
O15 B:LJ8403 2.0 18.4 1.0
NE2 B:HIS168 2.0 18.2 1.0
O B:HOH501 2.6 31.9 1.0
SG B:CYS105 2.7 16.8 1.0
CE1 B:HIS168 3.0 18.4 1.0
CE1 B:HIS107 3.0 15.9 1.0
CD2 B:HIS107 3.0 14.2 1.0
CD2 B:HIS168 3.1 19.0 1.0
P13 B:LJ8403 3.1 18.1 1.0
C11 B:LJ8403 3.5 22.4 1.0
ZN B:ZN401 3.5 25.9 1.0
OE2 B:GLU141 3.7 17.1 1.0
CB B:CYS105 3.7 16.8 1.0
OE1 B:GLU140 3.7 28.7 1.0
O14 B:LJ8403 3.9 19.9 1.0
OD2 B:ASP79 4.0 24.5 1.0
ND1 B:HIS107 4.1 16.8 1.0
ND1 B:HIS168 4.1 17.6 1.0
O B:CYS105 4.1 18.7 1.0
CG B:HIS107 4.1 14.9 1.0
CG B:HIS168 4.2 18.3 1.0
CD B:GLU140 4.4 27.9 1.0
CE1 B:HIS110 4.4 19.1 1.0
CD B:GLU141 4.6 18.1 1.0
C16 B:LJ8403 4.6 17.5 1.0
C10 B:LJ8403 4.7 22.9 1.0
OE2 B:GLU140 4.7 29.4 1.0
CA B:CYS105 4.8 17.1 1.0
C B:CYS105 4.8 17.8 1.0
OE1 B:GLU339 4.8 24.6 1.0
CG B:ASP79 5.0 23.9 1.0

Zinc binding site 5 out of 8 in 6slf

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Zinc binding site 5 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:22.2
occ:1.00
 OE2 C:GLU141 2.0 17.2 1.0
NE2 C:HIS370 2.0 15.8 1.0
O14 C:LJ8403 2.0 16.2 1.0
SG C:CYS105 2.3 15.3 1.0
CD C:GLU141 2.7 16.1 1.0
OE1 C:GLU141 2.7 14.1 1.0
O15 C:LJ8403 3.0 15.2 1.0
CE1 C:HIS370 3.0 18.2 1.0
P13 C:LJ8403 3.0 16.3 1.0
CD2 C:HIS370 3.1 16.6 1.0
CB C:CYS105 3.2 13.3 1.0
ZN C:ZN402 3.5 28.4 1.0
NE2 D:HIS202 4.1 16.5 1.0
ND1 C:HIS370 4.1 16.4 1.0
CD1 C:LEU83 4.2 19.6 1.0
CG C:HIS370 4.2 14.8 1.0
CG C:GLU141 4.2 16.6 1.0
C17 C:LJ8403 4.2 17.7 1.0
CD2 D:HIS202 4.3 13.3 1.0
C11 C:LJ8403 4.3 20.6 1.0
C16 C:LJ8403 4.3 16.6 1.0
NE2 C:HIS107 4.3 13.7 1.0
O C:HOH670 4.5 16.1 1.0
CA C:CYS105 4.5 14.1 1.0
CE1 C:HIS107 4.6 14.5 1.0
OE1 C:GLU140 4.8 27.1 1.0
C18 C:LJ8403 4.8 19.6 1.0
ND2 D:ASN251 4.9 16.4 1.0
NE2 C:HIS168 5.0 14.3 1.0

Zinc binding site 6 out of 8 in 6slf

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Zinc binding site 6 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:28.4
occ:1.00
 O15 C:LJ8403 2.0 15.2 1.0
NE2 C:HIS168 2.0 14.3 1.0
NE2 C:HIS107 2.0 13.7 1.0
O C:HOH503 2.4 26.7 1.0
SG C:CYS105 2.7 15.3 1.0
CE1 C:HIS168 3.0 13.9 1.0
CE1 C:HIS107 3.0 14.5 1.0
CD2 C:HIS168 3.0 14.3 1.0
CD2 C:HIS107 3.0 15.5 1.0
P13 C:LJ8403 3.1 16.3 1.0
C11 C:LJ8403 3.4 20.6 1.0
ZN C:ZN401 3.5 22.2 1.0
CB C:CYS105 3.6 13.3 1.0
OE2 C:GLU141 3.6 17.2 1.0
OE1 C:GLU140 3.7 27.1 1.0
O14 C:LJ8403 3.8 16.2 1.0
OD2 C:ASP79 4.0 24.6 1.0
O C:CYS105 4.1 16.0 1.0
ND1 C:HIS168 4.1 14.7 1.0
ND1 C:HIS107 4.1 15.6 1.0
CG C:HIS168 4.1 15.4 1.0
CG C:HIS107 4.2 14.7 1.0
CE1 C:HIS110 4.4 21.1 1.0
CD C:GLU140 4.5 25.9 1.0
C16 C:LJ8403 4.6 16.6 1.0
CD C:GLU141 4.6 16.1 1.0
C C:CYS105 4.8 14.3 1.0
CA C:CYS105 4.8 14.1 1.0
OE1 C:GLU339 4.8 27.7 1.0
C10 C:LJ8403 4.8 22.8 1.0
OE2 C:GLU140 4.9 28.8 1.0
CG C:ASP79 5.0 21.3 1.0

Zinc binding site 7 out of 8 in 6slf

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Zinc binding site 7 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:30.1
occ:1.00
 NE2 D:HIS370 2.0 21.2 1.0
OE2 D:GLU141 2.1 23.5 1.0
O14 D:LJ8403 2.3 23.8 1.0
SG D:CYS105 2.4 22.5 1.0
CD D:GLU141 2.8 20.6 1.0
OE1 D:GLU141 2.8 20.6 1.0
O15 D:LJ8403 2.9 25.1 1.0
CE1 D:HIS370 3.0 22.6 1.0
P13 D:LJ8403 3.1 25.6 1.0
CD2 D:HIS370 3.1 21.7 1.0
CB D:CYS105 3.1 23.0 1.0
ZN D:ZN402 3.5 39.1 1.0
NE2 C:HIS202 4.1 21.1 1.0
ND1 D:HIS370 4.1 22.7 1.0
CG D:HIS370 4.2 20.7 1.0
CG D:GLU141 4.2 24.4 1.0
CD2 C:HIS202 4.3 20.4 1.0
C17 D:LJ8403 4.3 25.0 1.0
CD1 D:LEU83 4.3 23.5 1.0
NE2 D:HIS107 4.4 22.9 1.0
C11 D:LJ8403 4.4 27.3 1.0
C16 D:LJ8403 4.4 25.5 1.0
O D:HOH589 4.5 26.1 1.0
CA D:CYS105 4.5 23.9 1.0
OE1 D:GLU140 4.7 33.5 1.0
CE1 D:HIS107 4.8 23.0 1.0
ND2 C:ASN251 4.8 20.6 1.0
C10 D:LJ8403 4.9 27.5 1.0
C18 D:LJ8403 4.9 25.1 1.0
NE2 D:HIS168 4.9 21.6 1.0

Zinc binding site 8 out of 8 in 6slf

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Zinc binding site 8 out of 8 in the Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Nalpha-Acylglutamine Aminoacylase From Corynebacterium Sp.Releasing Human Axilla Odorants Co-Crystallised with High Affinity Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:39.1
occ:1.00
 O15 D:LJ8403 2.0 25.1 1.0
NE2 D:HIS168 2.0 21.6 1.0
NE2 D:HIS107 2.0 22.9 1.0
O D:HOH501 2.6 38.2 1.0
SG D:CYS105 2.7 22.5 1.0
CD2 D:HIS168 3.0 21.7 1.0
CD2 D:HIS107 3.0 24.6 1.0
CE1 D:HIS168 3.0 19.0 1.0
CE1 D:HIS107 3.1 23.0 1.0
P13 D:LJ8403 3.2 25.6 1.0
C11 D:LJ8403 3.5 27.3 1.0
ZN D:ZN401 3.5 30.1 1.0
OE1 D:GLU140 3.6 33.5 1.0
CB D:CYS105 3.6 23.0 1.0
OE2 D:GLU141 3.7 23.5 1.0
O14 D:LJ8403 3.9 23.8 1.0
OD2 D:ASP79 4.0 35.5 1.0
O D:CYS105 4.1 25.0 1.0
ND1 D:HIS168 4.1 22.3 1.0
CG D:HIS168 4.1 24.0 1.0
CG D:HIS107 4.1 24.8 1.0
ND1 D:HIS107 4.2 24.2 1.0
CD D:GLU140 4.4 34.7 1.0
CE1 D:HIS110 4.4 27.5 1.0
C16 D:LJ8403 4.6 25.5 1.0
CD D:GLU141 4.6 20.6 1.0
C10 D:LJ8403 4.7 27.5 1.0
C D:CYS105 4.7 25.2 1.0
CA D:CYS105 4.7 23.9 1.0
OE1 D:GLU339 4.8 31.4 1.0
OE2 D:GLU140 4.9 36.1 1.0
CG D:ASP79 4.9 32.8 1.0

Reference:

A.Natsch, R.Emter. The Specific Biochemistry of Human Axilla Odour Formation Viewed in An Evolutionary Context Philos.Trans.R.Soc.London, 2020SER.B.
ISSN: ISSN 0080-4622
DOI: 10.1098/RSTB.2019.0269
Page generated: Wed Dec 16 12:48:58 2020

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