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Chlorine in PDB 3lnz: Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)

Protein crystallography data

The structure of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant), PDB code: 3lnz was solved by M.Pazgier, W.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.95
Space group P 32 1 2
Cell size a, b, c (Å), α, β, γ (°) 90.544, 90.544, 196.837, 90.00, 90.00, 120.00
R / Rfree (%) 22 / 26.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) (pdb code 3lnz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant), PDB code: 3lnz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3lnz

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Chlorine binding site 1 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5

b:43.2
occ:1.00
 N A:GLN44 3.1 31.1 1.0
CA A:ALA43 3.8 28.9 1.0
CE A:LYS45 3.9 34.2 1.0
CA A:GLN44 3.9 33.1 1.0
OH A:TYR56 3.9 35.2 1.0
CG A:LYS45 3.9 34.8 1.0
C A:ALA43 3.9 30.1 1.0
CE1 A:TYR48 4.0 37.8 1.0
CB A:GLN44 4.0 34.0 1.0
C A:GLN44 4.2 32.8 1.0
N A:LYS45 4.2 31.6 1.0
CD A:LYS45 4.3 35.6 1.0
OH A:TYR48 4.3 37.7 1.0
CB A:ALA43 4.4 28.9 1.0
CB A:LYS45 4.5 32.5 1.0
CZ A:TYR56 4.6 28.9 1.0
CE2 A:TYR56 4.6 31.6 1.0
CZ A:TYR48 4.6 36.1 1.0
O A:GLY42 4.7 26.4 1.0
O A:GLN44 4.9 33.7 1.0
CG A:GLN44 5.0 36.0 1.0
CA A:LYS45 5.0 31.9 1.0
CD1 A:TYR48 5.0 35.3 1.0

Chlorine binding site 2 out of 8 in 3lnz

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Chlorine binding site 2 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl8

b:39.8
occ:1.00
 N C:GLN44 3.1 32.1 1.0
CE C:LYS45 3.4 34.5 1.0
OH C:TYR56 3.5 34.7 1.0
CE2 C:TYR56 3.9 29.8 1.0
CA C:ALA43 3.9 30.2 1.0
CB C:GLN44 3.9 33.3 1.0
NZ C:LYS45 3.9 35.8 1.0
C C:ALA43 3.9 31.2 1.0
CA C:GLN44 4.0 32.9 1.0
CE1 C:TYR48 4.0 29.3 1.0
CZ C:TYR56 4.1 29.4 1.0
N C:LYS45 4.1 32.4 1.0
CG C:GLN44 4.2 34.5 1.0
CB C:ALA43 4.4 29.1 1.0
C C:GLN44 4.6 32.9 1.0
OH C:TYR48 4.6 24.7 1.0
O C:GLY42 4.7 28.7 1.0
CB C:LYS45 4.7 31.6 1.0
CD C:LYS45 4.7 33.2 1.0
CZ C:TYR48 4.8 27.4 1.0
CG C:LYS45 4.8 32.4 1.0
CD1 C:TYR48 4.9 28.8 1.0

Chlorine binding site 3 out of 8 in 3lnz

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Chlorine binding site 3 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl2

b:30.6
occ:1.00
 O E:HOH303 2.8 28.4 1.0
O H:HOH469 3.1 27.6 1.0
N E:GLN44 3.1 23.2 1.0
O E:HOH175 3.4 28.2 1.0
CE E:LYS45 3.7 26.6 1.0
CA E:ALA43 3.8 22.6 1.0
CE1 E:TYR48 3.9 25.1 1.0
C E:ALA43 3.9 23.6 1.0
CG E:LYS45 3.9 28.3 1.0
CA E:GLN44 4.0 24.8 1.0
N E:LYS45 4.0 23.8 1.0
CE2 E:TYR56 4.0 28.6 1.0
CB E:GLN44 4.1 26.4 1.0
OH E:TYR48 4.2 27.4 1.0
CD E:LYS45 4.3 23.6 1.0
CB E:ALA43 4.3 22.3 1.0
C E:GLN44 4.4 23.6 1.0
CB E:LYS45 4.4 22.9 1.0
N H:THR1 4.5 28.6 1.0
OH E:TYR56 4.5 30.9 1.0
CZ E:TYR48 4.5 26.4 1.0
CZ E:TYR56 4.7 30.3 1.0
O E:GLY42 4.8 20.9 1.0
CD1 E:TYR48 4.8 25.0 1.0
CA E:LYS45 4.9 24.5 1.0
NZ E:LYS45 4.9 27.3 1.0
O H:HOH30 4.9 18.9 1.0
CD2 E:TYR56 4.9 27.6 1.0
N E:ALA43 5.0 21.4 1.0

Chlorine binding site 4 out of 8 in 3lnz

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Chlorine binding site 4 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl4

b:45.1
occ:1.00
 O F:HOH321 3.1 29.8 1.0
N G:GLN44 3.2 29.1 1.0
OH G:TYR56 3.7 36.4 1.0
CE G:LYS45 3.7 33.3 1.0
O F:HOH631 3.8 28.9 1.0
CE1 G:TYR48 3.8 25.5 1.0
CB G:GLN44 3.9 29.7 1.0
CA G:ALA43 3.9 30.0 1.0
N G:LYS45 3.9 29.8 1.0
CA G:GLN44 4.0 29.5 1.0
CE2 G:TYR56 4.0 34.9 1.0
CG G:LYS45 4.1 32.8 1.0
C G:ALA43 4.1 29.3 1.0
CB G:LYS45 4.2 30.2 1.0
O G:HOH269 4.2 40.9 1.0
CZ G:TYR56 4.2 34.6 1.0
CB G:ALA43 4.3 29.7 1.0
C G:GLN44 4.4 29.7 1.0
OH G:TYR48 4.4 31.1 1.0
CD G:LYS45 4.5 35.2 1.0
NZ G:LYS45 4.5 33.0 1.0
CZ G:TYR48 4.6 27.5 1.0
N F:THR1 4.7 37.1 1.0
CG G:GLN44 4.7 31.2 1.0
CA G:LYS45 4.7 30.2 1.0
CD1 G:TYR48 4.7 27.6 1.0
O G:GLY42 4.7 29.4 1.0

Chlorine binding site 5 out of 8 in 3lnz

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Chlorine binding site 5 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1

b:32.7
occ:1.00
 O I:HOH437 3.1 23.5 1.0
N I:GLN44 3.3 21.9 1.0
CE2 I:TYR56 3.8 25.0 1.0
CE1 I:TYR48 3.9 26.0 1.0
CE I:LYS45 3.9 24.3 1.0
CA I:ALA43 4.0 20.7 1.0
CG I:LYS45 4.0 26.8 1.0
CA I:GLN44 4.1 25.4 1.0
N I:LYS45 4.1 25.8 1.0
CB I:GLN44 4.1 25.9 1.0
C I:ALA43 4.1 21.4 1.0
CB I:LYS45 4.2 25.7 1.0
OH I:TYR56 4.3 31.7 1.0
C I:GLN44 4.4 25.8 1.0
OH I:TYR48 4.4 18.8 1.0
CZ I:TYR56 4.4 24.6 1.0
CD I:LYS45 4.5 24.8 1.0
CB I:ALA43 4.5 19.8 1.0
CZ I:TYR48 4.6 26.3 1.0
CD2 I:TYR56 4.7 23.5 1.0
CD1 I:TYR48 4.8 29.1 1.0
CA I:LYS45 4.9 26.5 1.0
O I:GLY42 5.0 22.2 1.0

Chlorine binding site 6 out of 8 in 3lnz

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Chlorine binding site 6 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl7

b:48.7
occ:1.00
 N K:GLN44 3.1 35.2 1.0
CA K:ALA43 3.7 34.3 1.0
CB K:GLN44 3.8 35.1 1.0
C K:ALA43 3.8 34.6 1.0
OH K:TYR56 3.9 36.7 1.0
CE K:LYS45 3.9 35.8 1.0
CA K:GLN44 4.0 34.8 1.0
N K:LYS45 4.0 33.4 1.0
CE1 K:TYR48 4.0 30.3 1.0
CG K:LYS45 4.2 35.4 1.0
O K:HOH672 4.3 25.1 1.0
CB K:ALA43 4.3 33.1 1.0
CE2 K:TYR56 4.3 34.5 1.0
CZ K:TYR56 4.4 34.3 1.0
CG K:GLN44 4.5 35.0 1.0
C K:GLN44 4.5 34.4 1.0
O K:GLY42 4.5 32.6 1.0
OH K:TYR48 4.6 33.2 1.0
CD K:LYS45 4.6 36.7 1.0
CD K:GLN44 4.7 36.1 1.0
CB K:LYS45 4.7 33.7 1.0
CZ K:TYR48 4.7 29.9 1.0
N K:ALA43 4.8 33.7 1.0
CD1 K:TYR48 4.9 26.6 1.0
NE2 K:GLN44 4.9 36.9 1.0

Chlorine binding site 7 out of 8 in 3lnz

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Chlorine binding site 7 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl3

b:33.9
occ:1.00
 CD M:PRO32 3.2 24.5 1.0
O M:HOH112 3.3 23.1 1.0
CG M:LEU33 3.5 24.7 1.0
N M:LEU33 3.5 24.3 1.0
N M:PRO32 3.6 22.5 1.0
CD1 M:LEU33 3.9 32.3 1.0
CB M:LEU33 3.9 26.1 1.0
CB M:LYS31 4.0 20.7 1.0
CE O:LYS36 4.1 25.1 1.0
CG M:PRO32 4.2 23.1 1.0
C M:LYS31 4.2 22.7 1.0
CB M:PRO32 4.3 22.4 1.0
CA M:PRO32 4.3 22.9 1.0
CA M:LEU33 4.4 25.0 1.0
C M:PRO32 4.4 23.2 1.0
CD O:LYS36 4.6 24.0 1.0
CA M:LYS31 4.7 22.6 1.0
CD2 M:LEU33 4.7 29.3 1.0
OD1 M:ASN106 4.7 29.4 1.0
O O:HOH696 4.9 33.1 1.0
O M:HOH205 5.0 39.6 1.0
O M:LYS31 5.0 22.0 1.0

Chlorine binding site 8 out of 8 in 3lnz

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Chlorine binding site 8 out of 8 in the Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human MDM2 with A 12-Mer Peptide Inhibitor Pmi (N8A Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl6

b:42.5
occ:1.00
 O M:HOH438 2.6 25.8 1.0
O M:HOH190 3.0 44.8 1.0
N M:GLN44 3.2 30.8 1.0
OH M:TYR48 3.4 44.0 1.0
CE1 M:TYR48 3.5 39.9 1.0
OH M:TYR56 3.7 32.5 1.0
CZ M:TYR48 3.9 41.5 1.0
CE M:LYS45 4.0 29.8 1.0
CA M:ALA43 4.0 30.0 1.0
CA M:GLN44 4.1 33.2 1.0
C M:ALA43 4.1 31.0 1.0
CB M:GLN44 4.1 32.4 1.0
CE2 M:TYR56 4.3 29.9 1.0
C M:GLN44 4.4 32.3 1.0
CG M:LYS45 4.4 32.2 1.0
CZ M:TYR56 4.4 28.4 1.0
CB M:ALA43 4.4 27.2 1.0
N M:LYS45 4.4 31.7 1.0
CD M:LYS45 4.6 33.3 1.0
CD1 M:TYR48 4.7 36.2 1.0
CB M:LYS45 4.7 30.8 1.0
NZ M:LYS45 4.8 32.6 1.0
O M:GLY42 4.8 29.2 1.0
CG M:GLN44 4.9 34.7 1.0

Reference:

C.Li, M.Pazgier, C.Li, W.Yuan, M.Liu, G.Wei, W.Y.Lu, W.Lu. Systematic Mutational Analysis of Peptide Inhibition of the P53-MDM2/Mdmx Interactions. J.Mol.Biol. V. 398 200 2010.
ISSN: ISSN 0022-2836
PubMed: 20226197
DOI: 10.1016/J.JMB.2010.03.005
Page generated: Fri Jul 11 07:31:24 2025

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