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Cobalt in PDB 4iu6: Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1

Enzymatic activity of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1

All present enzymatic activity of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1:
3.4.11.18;

Protein crystallography data

The structure of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1, PDB code: 4iu6 was solved by S.B.Gabelli, F.Zhang, M.Miller, J.Liu, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.80 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.303, 77.344, 47.821, 90.00, 91.49, 90.00
R / Rfree (%) 17.3 / 22.3

Other elements in 4iu6:

The structure of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 also contains other interesting chemical elements:

Potassium (K) 1 atom

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 (pdb code 4iu6). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1, PDB code: 4iu6:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in 4iu6

Go back to Cobalt Binding Sites List in 4iu6
Cobalt binding site 1 out of 3 in the Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co401

b:23.5
occ:1.00
 O A:HOH552 1.8 27.9 1.0
OE2 A:GLU367 1.8 17.1 1.0
OE1 A:GLU336 1.9 23.4 1.0
OD2 A:ASP240 1.9 19.2 1.0
NE2 A:HIS303 1.9 18.7 1.0
CD A:GLU367 2.8 18.8 1.0
CG A:ASP240 2.9 19.6 1.0
CD2 A:HIS303 2.9 20.9 1.0
CE1 A:HIS303 2.9 22.5 1.0
CD A:GLU336 3.0 21.3 1.0
CO A:CO402 3.1 21.6 1.0
OE1 A:GLU367 3.1 22.2 1.0
OD1 A:ASP240 3.3 17.8 1.0
OE2 A:GLU336 3.4 23.2 1.0
OG1 A:THR334 3.7 21.4 1.0
CG2 A:THR334 3.8 19.6 1.0
O A:HOH551 3.9 24.0 1.0
ND1 A:HIS303 4.0 20.5 1.0
CG A:HIS303 4.0 21.5 1.0
CB A:THR334 4.1 22.1 1.0
CG A:GLU367 4.1 19.6 1.0
CB A:ASP240 4.2 18.2 1.0
O A:HOH522 4.3 18.3 1.0
CG A:GLU336 4.3 21.1 1.0
NE2 A:HIS310 4.8 24.9 1.0
O A:HOH601 4.8 28.5 1.0
CB A:GLU336 4.9 19.5 1.0
CD2 A:HIS310 4.9 24.6 1.0
OD1 A:ASP229 5.0 20.2 1.0
OD2 A:ASP229 5.0 21.5 1.0

Cobalt binding site 2 out of 3 in 4iu6

Go back to Cobalt Binding Sites List in 4iu6
Cobalt binding site 2 out of 3 in the Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co402

b:21.6
occ:1.00
 OD1 A:ASP240 1.9 17.8 1.0
OE1 A:GLU367 1.9 22.2 1.0
OD1 A:ASP229 1.9 20.2 1.0
O A:HOH522 2.3 18.3 1.0
O A:HOH552 2.3 27.9 1.0
OD2 A:ASP229 2.5 21.5 1.0
CG A:ASP229 2.6 18.2 1.0
CG A:ASP240 2.8 19.6 1.0
CD A:GLU367 2.9 18.8 1.0
OD2 A:ASP240 3.1 19.2 1.0
CO A:CO401 3.1 23.5 1.0
OE2 A:GLU367 3.2 17.1 1.0
O A:HOH551 3.8 24.0 1.0
OG1 A:THR231 4.0 18.0 1.0
O A:HOH527 4.0 20.3 1.0
ND2 A:ASN242 4.1 17.9 1.0
CB A:ASP229 4.1 15.9 1.0
OE1 A:GLU336 4.2 23.4 1.0
OE2 A:GLU336 4.3 23.2 1.0
CB A:ASP240 4.3 18.2 1.0
CG A:GLU367 4.4 19.6 1.0
O A:HOH555 4.4 26.9 1.0
O A:ILE230 4.5 15.8 1.0
O A:LEU241 4.5 15.9 1.0
N A:LEU241 4.5 17.6 1.0
CD A:GLU336 4.6 21.3 1.0
O A:HOH521 4.6 21.8 1.0
C A:LEU241 4.7 16.6 1.0
O A:HOH601 4.7 28.5 1.0
C A:ASP240 4.8 18.5 1.0
NE2 A:HIS303 4.8 18.7 1.0
CA A:ASP240 4.9 18.8 1.0
CB A:ASN242 4.9 16.6 1.0
CA A:ASP229 4.9 16.3 1.0
CB A:GLU367 5.0 16.4 1.0
N A:ILE230 5.0 16.0 1.0
CA A:LEU241 5.0 17.3 1.0

Cobalt binding site 3 out of 3 in 4iu6

Go back to Cobalt Binding Sites List in 4iu6
Cobalt binding site 3 out of 3 in the Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Human Methionine Aminopeptidase in Complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co403

b:27.8
occ:1.00
 N33 A:FZ1405 1.9 26.9 1.0
NE2 A:HIS212 1.9 21.6 1.0
N25 A:FZ1405 2.0 24.8 1.0
O A:HOH551 2.2 24.0 1.0
O A:HOH527 2.3 20.3 1.0
O A:HOH601 2.3 28.5 1.0
C28 A:FZ1405 2.7 25.8 1.0
C24 A:FZ1405 2.7 27.1 1.0
CD2 A:HIS212 2.9 23.5 1.0
CE1 A:HIS212 3.0 24.7 1.0
C32 A:FZ1405 3.0 26.2 1.0
C26 A:FZ1405 3.1 26.8 1.0
C37 A:FZ1405 3.6 29.1 1.0
O A:HOH679 3.9 37.0 1.0
O A:HOH552 4.0 27.9 1.0
NE2 A:HIS310 4.0 24.9 1.0
ND1 A:HIS212 4.1 21.2 1.0
C29 A:FZ1405 4.1 26.1 1.0
CG A:HIS212 4.1 21.9 1.0
N23 A:FZ1405 4.1 27.5 1.0
C31 A:FZ1405 4.3 25.8 1.0
O A:HOH522 4.3 18.3 1.0
C27 A:FZ1405 4.5 29.2 1.0
CE1 A:HIS310 4.5 24.4 1.0
O A:HOH521 4.5 21.8 1.0
OD2 A:ASP229 4.6 21.5 1.0
C30 A:FZ1405 4.7 26.7 1.0
C22 A:FZ1405 4.9 30.3 1.0
C36 A:FZ1405 5.0 28.1 1.0

Reference:

F.Zhang, S.Bhat, S.B.Gabelli, X.Chen, M.S.Miller, B.A.Nacev, Y.L.Cheng, D.J.Meyers, K.Tenney, J.S.Shim, P.Crews, L.M.Amzel, D.Ma, J.O.Liu. Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 in Cells. J.Med.Chem. V. 56 3996 2013.
ISSN: ISSN 0022-2623
PubMed: 23634668
DOI: 10.1021/JM400227Z
Page generated: Sun Dec 13 10:44:39 2020

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