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Lead in PDB 1hqj: Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide

Protein crystallography data

The structure of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide, PDB code: 1hqj was solved by P.Burkhard, M.Meier, A.Lustig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.334, 44.874, 81.043, 90.00, 90.00, 90.00
R / Rfree (%) n/a / 22.3

Lead Binding Sites:

The binding sites of Lead atom in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide (pdb code 1hqj). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 9 binding sites of Lead where determined in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide, PDB code: 1hqj:
Jump to Lead binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Lead binding site 1 out of 9 in 1hqj

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Lead binding site 1 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Pb2003

b:15.5
occ:0.24
 O C:HOH1011 2.3 30.5 1.0
OE2 A:GLU10 2.7 24.9 0.5
O C:HOH1007 3.0 31.4 1.0
CD A:GLU10 3.5 18.3 0.5
CG A:GLU10 4.1 15.5 0.5
OE1 A:GLU10 4.3 20.6 0.5
OE1 A:GLU10 4.4 16.5 0.5
O C:HOH1006 4.5 13.4 1.0
O A:HOH2015 4.5 47.4 1.0
NZ C:LYS16 4.7 31.6 1.0

Lead binding site 2 out of 9 in 1hqj

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Lead binding site 2 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Pb2002

b:18.8
occ:0.43
 O3 D:SIN1 2.2 30.8 1.0
C4 D:SIN1 3.1 22.7 1.0
O4 D:SIN1 3.4 26.8 1.0
CG D:LEU4 3.6 25.5 1.0
CD2 D:LEU4 3.8 32.0 1.0
CD1 D:LEU4 4.0 29.0 1.0
OE1 F:GLU5 4.3 32.0 1.0
C3 D:SIN1 4.5 24.3 1.0
CD F:GLU5 4.8 26.5 1.0
OE1 D:GLU3 5.0 26.8 1.0
CB D:LEU4 5.0 22.0 1.0
OE2 F:GLU5 5.0 32.6 1.0

Lead binding site 3 out of 9 in 1hqj

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Lead binding site 3 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Pb2007

b:18.3
occ:0.25
 OE1 E:GLU10 2.2 33.8 1.0
OE2 E:GLU10 2.3 35.3 1.0
OD1 H:ASP2 2.3 37.7 1.0
O E:HOH2019 2.3 44.0 1.0
CD E:GLU10 2.6 28.5 1.0
CG H:ASP2 3.3 36.6 1.0
N H:ASP2 3.9 34.3 1.0
NH1 C:ARG9 3.9 24.4 1.0
OD2 H:ASP2 3.9 45.1 1.0
CG E:GLU10 4.1 26.1 1.0
CA H:ASP2 4.2 33.3 1.0
CB H:ASP2 4.3 36.0 1.0
C1 H:SIN1 4.4 33.1 1.0
NE E:ARG14 4.6 15.6 1.0
OE1 H:GLU5 4.7 31.3 1.0
NH2 E:ARG14 4.7 16.4 1.0
O C:HOH1008 4.7 21.1 1.0
C2 H:SIN1 4.8 34.9 1.0
CB E:GLU10 4.9 19.8 1.0

Lead binding site 4 out of 9 in 1hqj

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Lead binding site 4 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Pb2004

b:20.6
occ:0.22
 OD2 F:ASP2 2.9 43.6 1.0
O F:HOH2011 3.4 43.7 1.0
CG F:ASP2 3.8 35.5 1.0
NH1 F:ARG9 4.2 23.0 1.0
O F:ASP2 4.3 27.2 1.0
CB F:ASP2 4.3 32.7 1.0
CA F:ASP2 4.7 29.4 1.0
OD1 F:ASP2 4.7 39.0 1.0
C F:ASP2 4.7 25.6 1.0
OE1 F:GLU5 5.0 32.0 1.0

Lead binding site 5 out of 9 in 1hqj

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Lead binding site 5 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 5 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Pb2001

b:18.8
occ:0.40
 O G:HOH2008 2.8 30.0 1.0
O I:HOH2012 4.1 21.4 1.0
NH2 G:ARG14 4.6 25.6 1.0
O I:HOH2009 4.9 32.6 1.0

Lead binding site 6 out of 9 in 1hqj

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Lead binding site 6 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 6 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Pb2008

b:11.3
occ:0.13
 OE2 H:GLU3 1.5 44.1 1.0
CD H:GLU3 1.6 42.1 1.0
OE1 H:GLU3 1.8 51.9 1.0
O3 H:SIN1 2.5 37.5 1.0
CG H:GLU3 3.0 39.0 1.0
C4 H:SIN1 3.3 38.2 1.0
O4 H:SIN1 3.3 39.4 1.0
CB H:GLU3 4.1 34.6 1.0
C3 H:SIN1 4.7 37.5 1.0
O E:HOH2012 4.8 36.2 1.0
O H:HOH2010 4.8 45.2 1.0

Lead binding site 7 out of 9 in 1hqj

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Lead binding site 7 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 7 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Pb2006

b:17.1
occ:0.13
 O H:HOH2020 2.5 47.1 1.0
OE1 I:GLU10 2.8 22.2 0.5
O H:HOH2013 3.0 29.6 1.0
CD I:GLU10 3.8 21.2 0.5
CG I:GLU10 4.3 19.0 0.5
O H:HOH2021 4.4 16.5 1.0
OE2 I:GLU10 4.7 26.1 0.5
NZ H:LYS16 4.8 40.5 1.0
OE2 I:GLU10 4.9 26.1 0.5

Lead binding site 8 out of 9 in 1hqj

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Lead binding site 8 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 8 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Pb2005

b:23.6
occ:0.19
 O A:HOH2008 2.5 38.4 1.0
NZ K:LYS16 2.5 52.9 1.0
O3 A:SIN1 2.6 33.3 1.0
C4 A:SIN1 3.5 31.3 1.0
O4 A:SIN1 3.6 37.3 1.0
CG A:LEU4 3.9 19.7 1.0
CE K:LYS16 4.0 50.0 1.0
CD2 A:LEU4 4.0 20.3 1.0
CD1 A:LEU4 4.1 23.5 1.0
OE1 A:GLU3 4.2 41.8 1.0
NH2 L:ARG14 4.6 22.0 1.0
OE2 C:GLU5 4.7 33.0 1.0
CD K:LYS16 4.7 48.4 1.0
CD A:GLU3 4.7 33.5 1.0
C3 A:SIN1 4.9 28.5 1.0
OE2 A:GLU3 5.0 40.7 1.0

Lead binding site 9 out of 9 in 1hqj

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Lead binding site 9 out of 9 in the Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 9 of Crystal Structure of A De Novo Designed Trimeric Coiled-Coil Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Pb2009

b:23.5
occ:0.14
 OE2 L:GLU3 2.6 39.2 1.0
OE1 A:GLU5 3.2 36.7 1.0
CD L:GLU3 3.3 37.9 1.0
OE1 L:GLU3 3.7 40.2 1.0
NH1 L:ARG7 4.1 20.2 1.0
CD A:GLU5 4.2 30.4 1.0
CG L:GLU3 4.3 35.7 1.0
OE2 K:GLU5 4.3 22.2 0.5
OE2 A:GLU5 4.6 41.3 1.0
O3 B:SIN1 4.6 43.8 1.0
CD2 B:LEU4 5.0 23.1 1.0

Reference:

P.Burkhard, M.Meier, A.Lustig. Design of A Minimal Protein Oligomerization Domain By A Structural Approach. Protein Sci. V. 9 2294 2000.
ISSN: ISSN 0961-8368
PubMed: 11206050
Page generated: Thu Oct 10 09:59:35 2024

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