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Potassium in PDB 1ovl: Crystal Structure of NURR1 Lbd

Protein crystallography data

The structure of Crystal Structure of NURR1 Lbd, PDB code: 1ovl was solved by Z.Wang, J.Liu, N.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 500.00 / 2.20
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 80.383, 80.383, 227.370, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 1ovl:

The structure of Crystal Structure of NURR1 Lbd also contains other interesting chemical elements:

Bromine (Br) 19 atoms
Iodine (I) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of NURR1 Lbd (pdb code 1ovl). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystal Structure of NURR1 Lbd, PDB code: 1ovl:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 1ovl

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Potassium binding site 1 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K707

b:57.6
occ:1.00
 O A:HOH900 3.6 50.7 1.0
CG A:MSE496 4.0 35.1 1.0
CA A:MSE496 4.1 28.8 1.0
CD2 A:TYR551 4.2 22.7 1.0
CE2 A:TYR551 4.2 24.4 1.0
BR A:BR818 4.2 67.7 1.0
CB A:MSE496 4.3 30.7 1.0
CE A:MSE496 4.3 35.4 1.0
O A:MSE496 4.5 26.0 1.0
NZ A:LYS554 4.6 47.0 1.0
O A:ASN495 4.6 31.5 1.0
C A:MSE496 4.8 27.1 1.0
CG A:LYS554 4.8 41.2 1.0

Potassium binding site 2 out of 8 in 1ovl

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Potassium binding site 2 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K703

b:41.4
occ:1.00
 OE1 B:GLN405 3.4 45.8 1.0
CD1 B:PHE479 3.7 32.6 1.0
CE1 B:PHE479 3.7 32.8 1.0
O B:HIS402 3.8 38.9 1.0
CG B:GLN405 4.0 41.8 1.0
N B:PHE406 4.0 32.2 1.0
CD B:GLN405 4.1 44.1 1.0
CA B:CYS475 4.1 33.3 1.0
CB B:GLN405 4.1 36.6 1.0
CA B:PHE406 4.2 30.0 1.0
CA B:GLY478 4.2 31.7 1.0
CD1 B:LEU409 4.4 28.2 1.0
CB B:PHE406 4.4 31.1 1.0
C B:GLN405 4.4 32.5 1.0
O B:CYS475 4.4 33.3 1.0
O B:GLN474 4.4 36.4 1.0
N B:GLY478 4.5 32.4 1.0
CB B:CYS475 4.6 31.8 1.0
N B:PHE479 4.6 31.5 1.0
C B:CYS475 4.7 32.8 1.0
SG B:CYS475 4.8 34.7 1.0
O B:GLN405 4.8 31.9 1.0
C B:GLY478 4.8 31.4 1.0
C B:HIS402 4.8 39.5 1.0
N B:CYS475 4.9 33.5 1.0
CA B:GLN405 4.9 33.9 1.0

Potassium binding site 3 out of 8 in 1ovl

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Potassium binding site 3 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K704

b:44.8
occ:1.00
 O B:HOH985 3.3 42.0 1.0
CA B:TYR551 3.7 24.0 1.0
N B:TYR551 3.9 23.1 1.0
C B:ASN550 4.1 23.8 1.0
O B:ASN550 4.1 24.1 1.0
CB B:TYR551 4.3 24.8 1.0
CB B:LYS554 4.4 34.5 1.0
CD2 B:TYR551 4.5 28.0 1.0
CB B:ASN550 4.5 28.1 1.0
CG B:LYS554 4.6 40.4 1.0
NE2 F:HIS516 4.6 66.1 1.0
CG B:TYR551 4.9 28.5 1.0
CA B:ASN550 5.0 25.3 1.0
C B:TYR551 5.0 22.7 1.0

Potassium binding site 4 out of 8 in 1ovl

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Potassium binding site 4 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K705

b:41.9
occ:1.00
 BR B:BR800 3.2 21.3 1.0
O B:HOH989 3.3 47.7 1.0
O B:HOH962 3.3 43.5 1.0
ND2 B:ASN547 3.5 15.7 1.0
O E:HOH851 3.7 25.9 1.0
CD1 B:LEU552 3.8 21.6 1.0
CE B:LYS536 3.9 31.3 1.0
CB B:ASN547 4.1 14.0 1.0
CA B:PRO549 4.1 22.1 1.0
CD B:LYS536 4.2 29.1 1.0
CG B:ASN547 4.2 18.6 1.0
CG B:LYS536 4.3 26.3 1.0
N B:PRO549 4.3 23.1 1.0
CB B:PRO549 4.3 21.9 1.0
O B:HOH963 4.4 38.4 1.0
CG B:LEU552 4.4 25.3 1.0
O B:HOH994 4.4 40.4 1.0
NZ B:LYS536 4.6 34.1 1.0
CB B:LEU552 4.6 23.4 1.0
C B:ARG548 4.7 21.3 1.0
CD B:PRO549 4.8 23.4 1.0
N B:ARG548 4.8 20.8 1.0
O B:ARG548 4.9 21.6 1.0

Potassium binding site 5 out of 8 in 1ovl

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Potassium binding site 5 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K702

b:29.4
occ:1.00
 OG D:SER501 3.3 21.7 1.0
O D:HOH872 3.4 43.0 1.0
O D:HOH861 3.5 38.7 1.0
N E:ILE500 3.8 27.8 1.0
CG2 E:ILE500 3.8 27.1 1.0
CB E:ILE500 3.9 28.2 1.0
CB D:SER501 4.0 21.2 1.0
CA E:ILE500 4.5 26.9 1.0
CB E:ASP499 4.5 30.7 1.0
CG2 D:ILE365 4.5 35.2 1.0
O D:HOH818 4.5 11.9 1.0
CA E:ASP499 4.6 28.7 1.0
C E:ASP499 4.7 27.3 1.0
CG2 D:VAL369 4.7 22.0 1.0
CD2 D:HIS538 4.8 20.1 1.0
CG1 D:ILE365 4.8 34.0 1.0
CD1 D:ILE365 5.0 32.4 1.0

Potassium binding site 6 out of 8 in 1ovl

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Potassium binding site 6 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K706

b:37.3
occ:1.00
 NZ D:LYS554 3.1 33.5 1.0
CE D:LYS554 3.6 38.3 1.0
CG D:MSE496 4.1 34.4 1.0
CD D:LYS554 4.1 36.4 1.0
CD2 D:TYR551 4.2 21.2 1.0
CA D:MSE496 4.3 32.4 1.0
CB D:MSE496 4.3 33.7 1.0
CE D:MSE496 4.5 31.4 1.0
CE2 D:TYR551 4.6 21.4 1.0
NH1 D:ARG548 4.6 33.6 1.0
O D:MSE496 4.8 29.4 1.0
O D:HOH890 5.0 58.9 1.0

Potassium binding site 7 out of 8 in 1ovl

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Potassium binding site 7 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K700

b:17.4
occ:1.00
 BR E:BR802 3.1 28.7 1.0
N E:ARG548 3.3 19.7 1.0
OG1 E:THR540 3.4 21.9 1.0
O E:LYS536 3.9 21.2 1.0
CG1 E:VAL539 3.9 15.8 1.0
O E:ARG548 3.9 22.8 1.0
CB E:VAL539 4.0 14.7 1.0
C E:ARG548 4.0 21.6 1.0
CA E:ARG548 4.1 19.5 1.0
CA E:ASN547 4.2 20.1 1.0
CB E:ASN547 4.2 21.2 1.0
C E:ASN547 4.3 19.8 1.0
CA E:LYS536 4.3 21.6 1.0
CB E:LEU552 4.3 31.2 1.0
N E:THR540 4.3 17.4 1.0
CG E:LEU552 4.3 34.1 1.0
CB E:ARG548 4.4 21.2 1.0
O E:HOH856 4.5 29.7 1.0
C E:LYS536 4.5 20.9 1.0
N E:PRO549 4.6 21.6 1.0
CB E:LYS536 4.6 21.8 1.0
CB E:THR540 4.6 18.6 1.0
CA E:THR540 4.7 19.9 1.0
CG E:LYS536 4.7 24.4 1.0
C E:VAL539 4.8 18.4 1.0
CD2 E:LEU552 4.8 33.6 1.0
CG E:ARG548 4.9 20.5 1.0
CG2 E:VAL539 4.9 17.0 1.0
CA E:VAL539 5.0 16.9 1.0

Potassium binding site 8 out of 8 in 1ovl

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Potassium binding site 8 out of 8 in the Crystal Structure of NURR1 Lbd


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of NURR1 Lbd within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K701

b:26.0
occ:1.00
 OG F:SER501 3.2 33.7 1.0
CG F:ASP499 3.6 45.5 1.0
CB F:SER501 3.7 34.0 1.0
CB F:ASP499 3.7 42.4 1.0
OD1 F:ASP499 3.9 46.3 1.0
N F:SER501 3.9 33.3 1.0
OD2 F:ASP499 4.0 47.8 1.0
CG2 F:ILE500 4.0 35.9 1.0
NE2 F:HIS538 4.1 48.1 1.0
CA F:SER501 4.4 32.2 1.0
N F:ILE500 4.5 39.3 1.0
O F:HOH825 4.6 26.2 1.0
C F:ASP499 4.8 40.3 1.0
CE1 F:HIS538 4.8 47.5 1.0
CA F:ASP499 4.9 41.5 1.0
C F:ILE500 4.9 35.2 1.0

Reference:

Z.Wang, G.Benoit, J.Liu, S.Prasad, P.Aarnisalo, X.Liu, H.Xu, N.Walker, T.Perlmann. Structure and Function of NURR1 Identifies A Class of Ligand-Independent Nuclear Receptors Nature V. 423 555 2003.
ISSN: ISSN 0028-0836
PubMed: 12774125
DOI: 10.1038/NATURE01645
Page generated: Mon Aug 12 05:08:54 2024

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