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Zinc in PDB 4zx5: X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q

Protein crystallography data

The structure of X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q, PDB code: 4zx5 was solved by N.Drinkwater, S.Mcgowan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.56 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.810, 109.030, 117.650, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.7

Other elements in 4zx5:

The structure of X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q (pdb code 4zx5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q, PDB code: 4zx5:

Zinc binding site 1 out of 1 in 4zx5

Go back to Zinc Binding Sites List in 4zx5
Zinc binding site 1 out of 1 in the X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of Pfa-M1 in Complex with Hydroxamic Acid- Based Inhibitor 10Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1101

b:19.5
occ:1.00
NE2 A:HIS496 2.1 14.1 1.0
NE2 A:HIS500 2.1 11.0 1.0
O A:4TM1102 2.1 14.2 1.0
OE1 A:GLU519 2.1 11.3 1.0
OAF A:4TM1102 2.4 13.8 1.0
C A:4TM1102 2.9 13.4 1.0
CD A:GLU519 2.9 13.0 1.0
OE2 A:GLU519 2.9 15.4 1.0
CD2 A:HIS500 3.0 11.2 1.0
CD2 A:HIS496 3.0 13.9 1.0
NAN A:4TM1102 3.0 12.4 1.0
CE1 A:HIS496 3.1 14.1 1.0
CE1 A:HIS500 3.1 11.2 1.0
O A:HOH1242 3.4 14.5 1.0
OH A:TYR580 4.1 11.3 1.0
CE1 A:TYR580 4.1 11.0 1.0
CG A:HIS496 4.2 13.7 1.0
ND1 A:HIS496 4.2 14.9 1.0
CG A:HIS500 4.2 11.6 1.0
ND1 A:HIS500 4.2 11.6 1.0
OE1 A:GLU463 4.2 21.8 1.0
CA A:4TM1102 4.3 13.8 1.0
CG A:GLU519 4.3 12.0 1.0
OE1 A:GLU497 4.4 12.2 1.0
CZ A:TYR580 4.5 10.6 1.0
N A:4TM1102 4.5 14.0 1.0
CD A:GLU463 4.7 22.4 1.0
OE2 A:GLU463 4.7 22.5 1.0
CG2 A:THR522 4.7 11.0 1.0
OE2 A:GLU497 4.8 13.6 1.0
CA A:GLU519 4.9 12.8 1.0
CB A:GLU519 4.9 11.5 1.0
CB A:THR522 5.0 11.1 1.0

Reference:

N.Drinkwater, N.B.Vinh, S.N.Mistry, R.S.Bamert, C.Ruggeri, J.P.Holleran, S.Loganathan, A.Paiardini, S.A.Charman, A.K.Powell, V.M.Avery, S.Mcgowan, P.J.Scammells. Potent Dual Inhibitors of Plasmodium Falciparum M1 and M17 Aminopeptidases Through Optimization of S1 Pocket Interactions. Eur.J.Med.Chem. V. 110 43 2016.
ISSN: ISSN 0223-5234
PubMed: 26807544
DOI: 10.1016/J.EJMECH.2016.01.015
Page generated: Wed Dec 16 06:00:28 2020

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