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Zinc in PDB 5zyb: Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030

Enzymatic activity of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030

All present enzymatic activity of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030, PDB code: 5zyb was solved by A.Shimizu-Ibuka, N.Furukawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.69 / 2.13
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.640, 59.200, 62.890, 90.00, 102.03, 90.00
R / Rfree (%) 15.8 / 20.5

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 (pdb code 5zyb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 11 binding sites of Zinc where determined in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030, PDB code: 5zyb:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 11 in 5zyb

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Zinc binding site 1 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn410

b:25.4
occ:1.00
 O A:ACT405 2.0 27.2 1.0
NE2 A:HIS161 2.1 19.0 1.0
OXT A:ACT404 2.1 22.9 1.0
O A:ACT407 2.3 40.7 1.0
OXT A:ACT407 2.4 39.1 1.0
C A:ACT407 2.7 39.2 1.0
O A:ACT404 2.7 25.8 1.0
C A:ACT404 2.8 25.5 1.0
C A:ACT405 3.0 29.6 1.0
CD2 A:HIS161 3.0 18.7 1.0
CE1 A:HIS161 3.1 19.5 1.0
CH3 A:ACT405 3.4 30.7 1.0
NH2 A:ARG133 3.9 16.1 1.0
OXT A:ACT405 4.1 29.9 1.0
ND1 A:HIS161 4.2 19.6 1.0
CG A:HIS161 4.2 18.5 1.0
CH3 A:ACT407 4.2 38.9 1.0
CH3 A:ACT404 4.2 25.1 1.0
O A:HOH620 4.3 26.7 1.0
NE1 A:TRP96 4.7 23.3 1.0
CZ A:ARG133 4.9 17.1 1.0

Zinc binding site 2 out of 11 in 5zyb

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Zinc binding site 2 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn411

b:19.4
occ:1.00
 O A:HOH552 2.0 14.5 1.0
ND1 A:HIS186 2.0 16.9 1.0
CE1 A:HIS186 3.0 18.5 1.0
CG A:HIS186 3.1 17.1 1.0
CB A:HIS186 3.4 17.6 1.0
CA A:HIS186 3.9 18.3 1.0
O A:HIS186 4.1 17.4 1.0
O A:HOH605 4.1 16.6 1.0
NE2 A:HIS186 4.1 17.2 1.0
CD2 A:HIS186 4.2 17.2 1.0
C A:HIS186 4.5 18.9 1.0
CB A:PRO181 4.7 21.6 1.0

Zinc binding site 3 out of 11 in 5zyb

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Zinc binding site 3 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn412

b:34.1
occ:1.00
 OE2 A:GLU207 2.0 31.9 1.0
O A:ACT409 2.2 26.1 1.0
OXT A:ACT409 2.4 26.0 1.0
C A:ACT409 2.6 27.2 1.0
CD A:GLU207 3.0 31.9 1.0
OE1 A:GLU207 3.4 37.3 1.0
O A:HOH519 3.8 31.7 1.0
CH3 A:ACT409 4.1 27.2 1.0
CG A:GLU207 4.3 32.0 1.0
CB A:LYS206 4.9 31.3 1.0

Zinc binding site 4 out of 11 in 5zyb

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Zinc binding site 4 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn413

b:47.0
occ:1.00
 ND2 A:ASN191 2.2 19.9 1.0
O A:HOH537 2.3 25.4 1.0
CG A:ASN191 3.0 21.1 1.0
OD1 A:ASN191 3.1 23.9 1.0
OD1 A:ASP220 4.0 23.1 1.0
OD2 A:ASP220 4.2 25.1 1.0
CB A:ASN191 4.4 20.1 1.0
CG A:ASP220 4.5 21.6 1.0
O A:VAL190 4.6 19.7 1.0
CG2 A:VAL190 4.8 30.3 1.0
CA A:ASN191 5.0 19.0 1.0

Zinc binding site 5 out of 11 in 5zyb

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Zinc binding site 5 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn414

b:32.8
occ:1.00
 O A:ACT406 2.1 37.4 1.0
ND1 A:HIS259 2.1 23.8 1.0
O A:HOH643 2.1 17.4 1.0
O A:HOH657 2.2 18.0 1.0
C A:ACT406 2.9 27.9 1.0
CE1 A:HIS259 3.0 24.5 1.0
CG A:HIS259 3.1 22.4 1.0
OXT A:ACT406 3.2 22.5 1.0
CB A:HIS259 3.4 22.2 1.0
NE2 A:HIS259 4.1 22.9 1.0
CD2 A:HIS259 4.2 24.6 1.0
CH3 A:ACT406 4.2 32.1 1.0
CA A:HIS259 4.5 20.7 1.0
O A:HOH517 4.6 36.7 1.0
CG2 A:THR112 4.7 19.7 1.0
CA A:GLY108 4.8 18.8 1.0
O A:GLY108 4.8 17.4 1.0
C A:GLY108 4.8 18.5 1.0
OG1 A:THR112 4.9 20.0 1.0

Zinc binding site 6 out of 11 in 5zyb

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Zinc binding site 6 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn415

b:38.6
occ:1.00
 NE2 A:HIS148 2.2 26.0 1.0
CD2 A:HIS148 3.0 24.4 1.0
CE1 A:HIS148 3.2 27.3 1.0
CG A:HIS148 4.2 24.8 1.0
ND1 A:HIS148 4.2 26.3 1.0
CB A:PRO297 4.6 25.8 1.0
CE1 A:TYR143 4.6 28.6 1.0
CD A:PRO297 4.7 25.2 1.0
CG A:PRO297 5.0 25.5 1.0
CD1 A:TYR143 5.0 28.2 1.0

Zinc binding site 7 out of 11 in 5zyb

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Zinc binding site 7 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn416

b:43.5
occ:1.00
 ND1 A:HIS256 2.2 24.4 1.0
O A:HOH545 2.3 48.3 1.0
O A:HOH671 2.4 39.1 1.0
O A:ACT408 2.5 47.3 1.0
OXT A:ACT408 2.5 54.8 1.0
C A:ACT408 2.9 53.7 1.0
CG A:HIS256 3.2 24.4 1.0
CE1 A:HIS256 3.2 26.5 1.0
CB A:HIS256 3.4 24.1 1.0
CH3 A:ACT408 4.3 52.5 1.0
CD2 A:HIS256 4.3 23.2 1.0
NE2 A:HIS256 4.4 25.4 1.0
CZ A:PHE310 4.5 19.7 1.0
CE2 A:PHE310 4.6 18.1 1.0
CA A:HIS256 4.9 23.9 1.0

Zinc binding site 8 out of 11 in 5zyb

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Zinc binding site 8 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn417

b:72.8
occ:1.00
 OD1 A:ASP231 2.2 20.8 1.0
ND1 A:HIS187 2.4 27.5 1.0
O A:HOH600 2.5 40.2 1.0
O A:HOH630 2.6 31.9 1.0
O A:HOH606 2.7 21.5 1.0
O A:HOH647 3.0 37.1 1.0
CG A:ASP231 3.2 19.9 1.0
CG A:HIS187 3.2 25.9 1.0
CB A:HIS187 3.3 20.9 1.0
CE1 A:HIS187 3.4 26.5 1.0
OD2 A:ASP231 3.7 18.9 1.0
N A:HIS187 3.9 19.4 1.0
CA A:HIS187 4.2 20.9 1.0
OG A:SER228 4.4 15.8 1.0
CB A:ASP231 4.4 18.5 1.0
CD2 A:HIS187 4.4 25.7 1.0
NE2 A:HIS187 4.5 27.3 1.0
N A:HIS186 4.6 19.3 1.0
C A:HIS186 4.7 18.9 1.0
N A:ASP231 4.7 17.2 1.0
O A:HOH582 4.8 20.0 1.0
CA A:ASP231 4.8 17.9 1.0
NE2 A:GLN58 4.9 37.7 1.0

Zinc binding site 9 out of 11 in 5zyb

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Zinc binding site 9 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn418

b:22.6
occ:1.00
 OXT A:GLY359 1.9 25.9 1.0
OXT A:ACT402 2.2 25.8 1.0
C A:GLY359 2.8 26.5 1.0
O A:GLY359 2.9 23.2 1.0
C A:ACT402 3.0 26.1 1.0
CH3 A:ACT402 3.2 28.5 1.0
O A:ACT402 4.1 33.8 1.0
CA A:GLY359 4.2 25.8 1.0

Zinc binding site 10 out of 11 in 5zyb

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Zinc binding site 10 out of 11 in the Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn419

b:75.6
occ:1.00
 OD2 A:ASP14 2.1 34.4 1.0
CG A:ASP14 3.1 28.9 1.0
CB A:ASP14 3.3 26.1 1.0
NE A:ARG10 3.7 48.3 1.0
O A:HOH584 4.0 34.4 1.0
CZ A:ARG10 4.0 50.0 1.0
OD1 A:ASP14 4.2 29.7 1.0
NH1 A:ARG10 4.4 48.9 1.0
CD A:ARG10 4.4 40.0 1.0
NH2 A:ARG10 4.5 48.8 1.0
NE2 A:GLN18 4.8 38.6 1.0
CA A:ASP14 4.8 23.5 1.0
O A:ARG10 4.9 24.1 1.0
CA A:PRO11 4.9 22.3 1.0
CG A:ARG10 5.0 33.5 1.0

Reference:

T.Ishikawa, N.Furukawa, E.Caselli, F.Prati, M.A.Taracila, R.A.Bonomo, Y.Ishii, A.Shimizu-Ibuka. Crystal Structure of Mox-1 Complexed with A Boronic Acid Transition State Inhibitor S02030 To Be Published.
Page generated: Mon Oct 28 17:13:24 2024

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