Zinc in PDB 6gcy: Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex)

Enzymatic activity of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex)

All present enzymatic activity of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex):
4.2.1.1;

Protein crystallography data

The structure of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex), PDB code: 6gcy was solved by S.Z.Fisher, K.Koruza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.610, 41.940, 72.770, 90.00, 104.01, 90.00
R / Rfree (%) 19.1 / 21.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex) (pdb code 6gcy). 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 Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex), PDB code: 6gcy:

Zinc binding site 1 out of 1 in 6gcy

Go back to Zinc Binding Sites List in 6gcy
Zinc binding site 1 out of 1 in the Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Joint Neutron and X-Ray Crystal Structure of Human Carbonic Anhydrase IX Mimic (Saccharin-Sugar Conjugate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.0
occ:1.00
 NE2 A:HIS96 2.0 2.7 1.0
NAZ A:3QR302 2.0 5.1 1.0
ND1 A:HIS119 2.0 1.7 1.0
NE2 A:HIS94 2.1 3.7 1.0
CE1 A:HIS119 2.9 1.4 1.0
CAY A:3QR302 2.9 8.1 1.0
CD2 A:HIS96 3.0 1.8 1.0
HE1 A:HIS119 3.0 1.7 1.0
CE1 A:HIS96 3.0 3.2 1.0
CD2 A:HIS94 3.0 3.2 1.0
CE1 A:HIS94 3.1 3.8 1.0
OBD A:3QR302 3.1 8.7 1.0
CG A:HIS119 3.1 1.4 1.0
HD2 A:HIS96 3.2 2.1 1.0
HB2 A:HIS119 3.2 2.4 1.0
SBA A:3QR302 3.2 4.9 1.0
HD2 A:HIS94 3.2 3.9 1.0
HE1 A:HIS96 3.2 3.8 1.0
OBB A:3QR302 3.3 5.6 1.0
HE1 A:HIS94 3.3 4.5 1.0
DG1 A:THR198 3.6 4.3 1.0
CB A:HIS119 3.6 2.0 1.0
HB3 A:HIS119 3.8 2.4 1.0
OG1 A:THR198 3.8 3.6 1.0
OE1 A:GLU106 4.0 3.5 1.0
NE2 A:HIS119 4.1 3.3 1.0
ND1 A:HIS96 4.1 3.7 1.0
CG A:HIS96 4.2 1.8 1.0
ND1 A:HIS94 4.2 2.5 1.0
CG A:HIS94 4.2 2.8 1.0
CD2 A:HIS119 4.2 2.4 1.0
CAV A:3QR302 4.2 8.2 1.0
OBC A:3QR302 4.2 5.3 1.0
HH2 A:TRP208 4.3 5.0 1.0
CAW A:3QR302 4.3 8.2 1.0
D2 A:DOD408 4.3 28.3 1.0
HE2 A:HIS119 4.8 3.9 0.1
DE2 A:HIS119 4.8 3.9 0.9
HD1 A:HIS96 4.9 4.4 0.0
DD1 A:HIS96 4.9 4.4 1.0
DD1 A:HIS94 4.9 3.0 0.9
HD1 A:HIS94 4.9 3.0 0.1
CD A:GLU106 4.9 3.3 1.0
O A:DOD408 5.0 23.6 1.0

Reference:

K.Koruza, B.P.Mahon, M.P.Blakeley, A.Ostermann, T.E.Schrader, R.Mckenna, W.Knecht, S.Z.Fisher. Using Neutron Crystallography to Elucidate the Basis of Selective Inhibition of Carbonic Anhydrase By Saccharin and A Derivative. J. Struct. Biol. V. 205 147 2019.
ISSN: ESSN 1095-8657
PubMed: 30639924
DOI: 10.1016/J.JSB.2018.12.009
Page generated: Wed Dec 16 11:51:52 2020

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