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Zinc in PDB 3kj2: Mcl-1 in Complex with Bim BH3 Mutant F4AE

Protein crystallography data

The structure of Mcl-1 in Complex with Bim BH3 Mutant F4AE, PDB code: 3kj2 was solved by E.Fire, R.A.Grant, A.E.Keating, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.29 / 2.35
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 51.456, 71.487, 119.435, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 24.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Mcl-1 in Complex with Bim BH3 Mutant F4AE (pdb code 3kj2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Mcl-1 in Complex with Bim BH3 Mutant F4AE, PDB code: 3kj2:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 3kj2

Go back to Zinc Binding Sites List in 3kj2
Zinc binding site 1 out of 4 in the Mcl-1 in Complex with Bim BH3 Mutant F4AE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Mcl-1 in Complex with Bim BH3 Mutant F4AE within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2

b:71.0
occ:1.00
OD1 A:ASP241 2.4 60.8 1.0
OE2 A:GLU240 2.7 61.0 1.0
OD2 A:ASP241 3.0 59.6 1.0
CG A:ASP241 3.0 59.5 1.0
CD A:GLU240 3.7 58.7 1.0
CG A:GLU240 3.9 54.0 1.0
O A:HOH33 4.3 44.0 0.5
CG A:PRO289 4.4 46.3 1.0
CB A:ASP241 4.5 62.6 1.0
OE1 A:GLU240 4.8 61.4 1.0

Zinc binding site 2 out of 4 in 3kj2

Go back to Zinc Binding Sites List in 3kj2
Zinc binding site 2 out of 4 in the Mcl-1 in Complex with Bim BH3 Mutant F4AE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Mcl-1 in Complex with Bim BH3 Mutant F4AE within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn3

b:48.5
occ:1.00
OXT A:ACT1428 2.2 42.8 1.0
OD1 A:ASP304 2.2 36.4 1.0
O A:HOH29 2.8 42.5 1.0
CG A:ASP304 3.0 39.7 1.0
OD2 A:ASP304 3.1 46.3 1.0
C A:ACT1428 3.3 49.9 1.0
CH3 A:ACT1428 4.0 30.1 1.0
CG A:ARG303 4.1 41.9 1.0
O A:ACT1428 4.3 51.9 1.0
CB A:ASP304 4.4 26.7 1.0
O A:HOH30 4.8 33.2 1.0
CA A:ASP304 4.9 26.9 1.0

Zinc binding site 3 out of 4 in 3kj2

Go back to Zinc Binding Sites List in 3kj2
Zinc binding site 3 out of 4 in the Mcl-1 in Complex with Bim BH3 Mutant F4AE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Mcl-1 in Complex with Bim BH3 Mutant F4AE within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn4

b:46.6
occ:1.00
NE2 A:HIS320 2.3 28.3 1.0
OE2 A:GLU322 2.4 58.0 1.0
OE1 A:GLU322 2.5 46.8 1.0
O A:HOH8 2.6 54.6 1.0
CD A:GLU322 2.7 53.9 1.0
CE1 A:HIS320 3.2 28.2 1.0
CD2 A:HIS320 3.2 26.4 1.0
CG A:GLU322 4.2 50.1 1.0
ND1 A:HIS320 4.3 37.5 1.0
CG A:HIS320 4.4 37.4 1.0
O A:VAL321 4.6 39.9 1.0
CB A:GLU322 5.0 46.6 1.0

Zinc binding site 4 out of 4 in 3kj2

Go back to Zinc Binding Sites List in 3kj2
Zinc binding site 4 out of 4 in the Mcl-1 in Complex with Bim BH3 Mutant F4AE


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Mcl-1 in Complex with Bim BH3 Mutant F4AE within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn23

b:34.3
occ:1.00
NE2 A:HIS224 2.2 23.3 1.0
OE2 B:GLU17 2.3 26.3 1.0
OE1 B:GLU16 2.3 53.5 1.0
O B:HOH28 2.6 32.3 1.0
CD B:GLU16 3.0 52.1 1.0
OE2 B:GLU16 3.0 75.0 1.0
CE1 A:HIS224 3.1 25.7 1.0
CD B:GLU17 3.1 29.4 1.0
CD2 A:HIS224 3.3 26.4 1.0
CG B:GLU17 3.5 29.3 1.0
O B:HOH54 3.8 39.7 1.0
OE1 B:GLU17 4.1 36.8 1.0
ND1 A:HIS224 4.3 32.0 1.0
CG A:HIS224 4.4 28.6 1.0
CG B:GLU16 4.4 32.1 1.0
CB A:ASN223 4.6 40.4 1.0
CG2 B:ILE13 4.7 24.3 1.0
N B:GLU17 4.7 27.1 1.0
CB B:GLU17 4.7 26.9 1.0
CA B:GLU17 4.7 27.8 1.0
O B:ILE13 4.9 29.9 1.0
CB B:GLU16 5.0 20.2 1.0

Reference:

E.Fire, S.V.Gulla, R.A.Grant, A.E.Keating. Mcl-1-Bim Complexes Accommodate Surprising Point Mutations Via Minor Structural Changes. Protein Sci. V. 19 507 2010.
ISSN: ISSN 0961-8368
PubMed: 20066663
DOI: 10.1002/PRO.329
Page generated: Wed Dec 16 04:30:14 2020

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