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Zinc in PDB 3s7b: Structural Basis of Substrate Methylation and Inhibition of SMYD2

Enzymatic activity of Structural Basis of Substrate Methylation and Inhibition of SMYD2

All present enzymatic activity of Structural Basis of Substrate Methylation and Inhibition of SMYD2:
2.1.1.43;

Protein crystallography data

The structure of Structural Basis of Substrate Methylation and Inhibition of SMYD2, PDB code: 3s7b was solved by A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.10 / 2.42
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 155.860, 155.860, 52.830, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 19.8

Other elements in 3s7b:

The structure of Structural Basis of Substrate Methylation and Inhibition of SMYD2 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structural Basis of Substrate Methylation and Inhibition of SMYD2 (pdb code 3s7b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structural Basis of Substrate Methylation and Inhibition of SMYD2, PDB code: 3s7b:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 3s7b

Go back to Zinc Binding Sites List in 3s7b
Zinc binding site 1 out of 3 in the Structural Basis of Substrate Methylation and Inhibition of SMYD2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis of Substrate Methylation and Inhibition of SMYD2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn440

b:45.4
occ:1.00
SG A:CYS78 2.2 40.7 1.0
SG A:CYS52 2.4 38.3 1.0
SG A:CYS55 2.4 40.4 1.0
SG A:CYS74 2.4 40.8 1.0
CB A:CYS52 3.2 33.6 1.0
CB A:CYS74 3.2 37.8 1.0
CB A:CYS78 3.3 38.0 1.0
CB A:CYS55 3.6 35.4 1.0
N A:CYS74 3.8 37.1 1.0
N A:CYS55 4.0 34.1 1.0
CA A:CYS74 4.1 38.1 1.0
CA A:CYS55 4.3 34.0 1.0
CA A:CYS52 4.6 33.7 1.0
OG1 A:THR57 4.6 40.2 1.0
CA A:CYS78 4.7 38.6 1.0
CB A:THR57 4.7 36.1 1.0
CB A:TYR54 4.7 32.8 1.0
C A:TYR73 5.0 40.6 1.0
C A:CYS55 5.0 36.4 1.0
C A:TYR54 5.0 38.1 1.0

Zinc binding site 2 out of 3 in 3s7b

Go back to Zinc Binding Sites List in 3s7b
Zinc binding site 2 out of 3 in the Structural Basis of Substrate Methylation and Inhibition of SMYD2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis of Substrate Methylation and Inhibition of SMYD2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn441

b:40.6
occ:1.00
NE2 A:HIS86 2.2 35.5 1.0
SG A:CYS68 2.2 38.3 1.0
SG A:CYS90 2.3 37.3 1.0
SG A:CYS65 2.4 47.2 1.0
CD2 A:HIS86 3.1 35.8 1.0
CE1 A:HIS86 3.1 33.2 1.0
CB A:CYS68 3.2 37.9 1.0
CB A:CYS65 3.3 42.8 1.0
CB A:CYS90 3.3 32.9 1.0
N A:CYS68 3.6 44.2 1.0
CA A:CYS90 3.9 32.8 1.0
CA A:CYS68 4.0 41.6 1.0
CG A:HIS86 4.2 34.0 1.0
ND1 A:HIS86 4.3 33.9 1.0
O A:HOH543 4.3 41.9 1.0
CB A:ALA71 4.6 39.5 1.0
CB A:ARG67 4.6 56.1 1.0
CA A:CYS65 4.7 44.3 1.0
C A:ARG67 4.7 55.9 1.0
C A:CYS90 4.8 38.4 1.0
N A:LYS69 4.8 45.1 1.0
C A:CYS68 4.9 48.0 1.0
NH1 A:ARG67 4.9 95.1 1.0
N A:ARG67 4.9 52.0 1.0
O A:CYS90 4.9 36.8 1.0
CZ3 A:TRP83 4.9 41.0 1.0
CA A:ARG67 4.9 53.2 1.0
C A:CYS65 5.0 49.7 1.0

Zinc binding site 3 out of 3 in 3s7b

Go back to Zinc Binding Sites List in 3s7b
Zinc binding site 3 out of 3 in the Structural Basis of Substrate Methylation and Inhibition of SMYD2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structural Basis of Substrate Methylation and Inhibition of SMYD2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn442

b:35.5
occ:1.00
SG A:CYS262 2.2 37.5 1.0
SG A:CYS267 2.3 34.1 1.0
SG A:CYS264 2.4 37.1 1.0
SG A:CYS209 2.5 36.2 1.0
CB A:CYS262 3.2 34.4 1.0
CB A:CYS209 3.2 31.9 1.0
CB A:CYS264 3.4 34.0 1.0
CB A:CYS267 3.4 32.9 1.0
N A:CYS209 3.6 30.2 1.0
N A:CYS264 3.9 35.0 1.0
CA A:CYS209 4.0 30.1 1.0
N A:CYS267 4.1 35.2 1.0
CA A:CYS264 4.1 34.8 1.0
CA A:CYS267 4.3 34.8 1.0
CE1 A:HIS207 4.3 32.4 1.0
CA A:CYS262 4.4 36.1 1.0
C A:CYS262 4.4 42.9 1.0
NH2 A:ARG250 4.5 29.7 1.0
C A:SER208 4.6 31.6 1.0
N A:GLU263 4.7 40.9 1.0
O A:CYS262 4.7 43.0 1.0
C A:CYS264 4.7 39.5 1.0
O A:CYS264 4.8 39.2 1.0
ND1 A:HIS207 4.8 34.9 1.0
NE A:ARG250 4.8 37.1 1.0
CA A:SER208 4.9 28.3 1.0
CB A:GLU266 4.9 34.6 1.0
C A:GLU263 5.0 41.8 1.0

Reference:

A.D.Ferguson, N.A.Larsen, T.Howard, H.Pollard, I.Green, C.Grande, T.Cheung, R.Garcia-Arenas, S.Cowen, J.Wu, R.Godin, H.Chen, N.Keen. Structural Basis of Substrate Methylation and Inhibition of SMYD2. Structure V. 19 1262 2011.
ISSN: ISSN 0969-2126
PubMed: 21782458
DOI: 10.1016/J.STR.2011.06.011
Page generated: Sat Oct 26 15:35:33 2024

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