Chlorine in PDB 6zbo: Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)

Enzymatic activity of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)

All present enzymatic activity of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat):
1.14.11.29;

Protein crystallography data

The structure of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat), PDB code: 6zbo was solved by W.D.Figg Jr, M.A.Mcdonough, Y.Nakashima, J.P.Holt-Martyn, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.71 / 1.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.119, 75.151, 127.215, 90, 95.31, 90
R / Rfree (%) 18 / 20.6

Other elements in 6zbo:

The structure of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) also contains other interesting chemical elements:

Manganese (Mn) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) (pdb code 6zbo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat), PDB code: 6zbo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 6zbo

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Chlorine binding site 1 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:50.9
occ:1.00
 HB3 A:PRO373 2.9 41.2 1.0
HA A:HIS313 3.1 36.8 1.0
HG2 A:ARG312 3.2 42.0 1.0
HG23 A:VAL314 3.3 39.6 1.0
O A:HOH833 3.3 52.6 1.0
HD2 A:ARG312 3.8 46.2 1.0
CA A:HIS313 3.8 30.6 1.0
O A:ARG312 3.8 31.6 1.0
N A:HIS313 3.9 31.3 1.0
CB A:PRO373 3.9 34.2 1.0
C A:ARG312 4.0 33.0 1.0
HB3 A:ARG312 4.0 42.7 1.0
CG A:ARG312 4.0 34.9 1.0
C A:HIS313 4.0 30.9 1.0
H A:VAL314 4.2 37.0 1.0
HB2 A:PRO373 4.3 41.2 1.0
O A:HOH767 4.3 38.9 1.0
HG3 A:PRO373 4.3 42.6 1.0
O A:HOH797 4.3 35.5 1.0
CG2 A:VAL314 4.3 32.9 1.0
N A:VAL314 4.3 30.7 1.0
H A:HIS313 4.3 37.7 1.0
CD A:ARG312 4.3 38.4 1.0
HA A:PRO373 4.4 36.7 1.0
CB A:ARG312 4.5 35.5 1.0
HD3 A:ARG312 4.5 46.2 1.0
O A:HIS313 4.6 28.7 1.0
HG21 A:VAL314 4.6 39.6 1.0
CG A:PRO373 4.6 35.4 1.0
HG22 A:VAL314 4.7 39.6 1.0
CA A:PRO373 4.8 30.5 1.0
HG3 A:ARG312 4.8 42.0 1.0
O A:HOH729 4.8 37.5 1.0
CA A:ARG312 4.9 33.2 1.0
HG2 A:PRO373 4.9 42.6 1.0

Chlorine binding site 2 out of 13 in 6zbo

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Chlorine binding site 2 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:70.8
occ:1.00
 O A:HOH822 2.7 39.8 1.0
O A:HOH831 3.5 44.7 1.0
N07 A:QEQ602 3.8 35.6 1.0
CD2 A:HIS313 3.9 31.5 1.0
HD2 A:HIS313 3.9 37.9 1.0
C06 A:QEQ602 3.9 34.5 1.0
C08 A:QEQ602 4.1 36.8 1.0
O A:HOH772 4.1 41.0 1.0
CG A:HIS313 4.1 32.9 1.0
H061 A:QEQ602 4.2 41.5 1.0
NE2 A:HIS313 4.2 31.4 1.0
HB2 A:HIS313 4.3 38.3 1.0
O A:HOH827 4.3 43.0 1.0
N05 A:QEQ602 4.3 32.1 1.0
C15 A:QEQ602 4.5 35.7 1.0
C04 A:QEQ602 4.6 34.8 1.0
O B:HOH743 4.6 35.5 1.0
HB3 A:HIS313 4.6 38.3 1.0
CB A:HIS313 4.6 31.8 1.0
ND1 A:HIS313 4.6 32.1 1.0
CE1 A:HIS313 4.7 33.8 1.0
HB2 D:ASN318 4.7 43.9 1.0
H102 A:QEQ602 4.7 50.8 1.0
N09 A:QEQ602 4.7 38.3 1.0
HB1 B:ALA351 4.7 60.3 1.0
O A:HOH751 4.9 34.8 0.4
H141 A:QEQ602 5.0 49.1 1.0
HB2 B:ALA351 5.0 60.3 1.0

Chlorine binding site 3 out of 13 in 6zbo

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Chlorine binding site 3 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:70.5
occ:1.00
 HE A:ARG396 2.3 71.0 1.0
HG2 A:ARG396 2.8 52.6 1.0
NE A:ARG396 3.0 59.0 1.0
HD2 A:LYS400 3.1 75.7 1.0
HG3 A:ARG396 3.4 52.6 1.0
CG A:ARG396 3.4 43.8 1.0
CD A:ARG396 3.6 50.8 1.0
HD1 D:TYR403 3.6 60.4 1.0
HH21 A:ARG396 3.7 79.5 1.0
HD3 A:ARG396 3.7 61.1 1.0
CE2 A:PHE391 3.9 41.1 1.0
HE2 A:PHE391 4.0 49.5 1.0
CZ A:ARG396 4.0 61.4 1.0
CD A:LYS400 4.1 63.0 1.0
O A:HOH706 4.1 47.1 1.0
NH2 A:ARG396 4.2 66.2 1.0
CD2 A:PHE391 4.2 40.5 1.0
HE1 D:TYR403 4.2 64.1 1.0
CD1 D:TYR403 4.2 50.3 1.0
CZ A:PHE391 4.2 41.8 1.0
HD3 A:LYS400 4.3 75.7 1.0
HE3 A:LYS400 4.3 80.7 1.0
HD2 A:PHE391 4.4 48.7 1.0
HZ A:PHE391 4.5 50.3 1.0
CE1 D:TYR403 4.5 53.3 1.0
HD2 A:ARG396 4.5 61.1 1.0
CG A:PHE391 4.7 39.1 1.0
CE1 A:PHE391 4.7 41.5 1.0
CE A:LYS400 4.7 67.1 1.0
O A:HOH756 4.7 42.1 1.0
HB3 D:TYR403 4.8 55.3 1.0
CB A:ARG396 4.8 38.3 1.0
HG2 A:GLU407 4.9 112.0 1.0
HG3 A:LYS400 4.9 70.5 1.0
CD1 A:PHE391 4.9 39.4 1.0
HH22 A:ARG396 5.0 79.5 1.0

Chlorine binding site 4 out of 13 in 6zbo

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Chlorine binding site 4 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:50.4
occ:1.00
 HB3 B:PRO373 2.9 43.9 1.0
HA B:HIS313 3.0 42.3 1.0
HG2 B:ARG312 3.0 46.4 1.0
HG23 B:VAL314 3.3 41.3 1.0
CA B:HIS313 3.7 35.1 1.0
O B:ARG312 3.8 34.4 1.0
HD2 B:ARG312 3.8 53.9 1.0
N B:HIS313 3.8 34.4 1.0
C B:ARG312 3.9 34.2 1.0
C B:HIS313 3.9 34.7 1.0
CB B:PRO373 3.9 36.5 1.0
CG B:ARG312 3.9 38.6 1.0
HB3 B:ARG312 4.0 46.0 1.0
H B:VAL314 4.1 39.4 1.0
HB2 B:PRO373 4.2 43.9 1.0
N B:VAL314 4.2 32.8 1.0
H B:HIS313 4.2 41.4 1.0
CG2 B:VAL314 4.3 34.6 1.0
CD B:ARG312 4.3 44.8 1.0
O B:HIS313 4.3 34.9 1.0
HA B:PRO373 4.4 39.4 1.0
O B:HOH747 4.4 47.3 1.0
CB B:ARG312 4.4 38.2 1.0
O B:HOH773 4.4 39.5 1.0
HG3 B:PRO373 4.4 44.3 1.0
HD3 B:ARG312 4.5 53.9 1.0
HG3 B:ARG312 4.6 46.4 1.0
HG21 B:VAL314 4.6 41.3 1.0
HG22 B:VAL314 4.6 41.3 1.0
CG B:PRO373 4.7 36.8 1.0
CA B:PRO373 4.7 32.8 1.0
CA B:ARG312 4.8 35.3 1.0
O B:HOH823 4.8 52.0 1.0
O B:HOH723 4.9 46.9 1.0
H B:HIS374 5.0 37.9 1.0
HG2 B:PRO373 5.0 44.3 1.0

Chlorine binding site 5 out of 13 in 6zbo

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Chlorine binding site 5 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl604

b:67.6
occ:1.00
 O B:HOH806 2.4 41.1 1.0
O B:HOH817 3.2 46.8 1.0
CD2 B:HIS313 3.7 33.9 1.0
HD2 B:HIS313 3.8 40.8 1.0
O B:HOH820 3.8 45.5 1.0
CG B:HIS313 4.0 35.6 1.0
NE2 B:HIS313 4.0 33.7 1.0
N07 B:QEQ602 4.0 35.6 1.0
C06 B:QEQ602 4.1 33.2 1.0
C08 B:QEQ602 4.2 35.5 1.0
O B:HOH766 4.2 38.0 1.0
HB2 B:HIS313 4.3 40.7 1.0
N05 B:QEQ602 4.4 28.5 1.0
H061 B:QEQ602 4.4 39.9 1.0
C15 B:QEQ602 4.5 34.9 1.0
ND1 B:HIS313 4.5 34.9 1.0
CE1 B:HIS313 4.5 34.0 1.0
HB3 B:HIS313 4.5 40.7 1.0
C04 B:QEQ602 4.5 34.5 1.0
CB B:HIS313 4.6 33.8 1.0
H141 B:QEQ602 4.7 46.9 1.0
HB1 F:ALA351 4.7 53.1 1.0
N09 B:QEQ602 4.7 38.4 1.0
H102 B:QEQ602 4.8 49.3 1.0
H151 B:QEQ602 4.9 42.0 1.0
HD1 B:HIS313 5.0 42.0 1.0

Chlorine binding site 6 out of 13 in 6zbo

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Chlorine binding site 6 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:70.3
occ:1.00
 O C:HOH781 3.1 42.0 1.0
HD2 C:HIS313 3.9 43.7 1.0
CD2 C:HIS313 3.9 36.3 1.0
O C:HOH736 3.9 48.0 1.0
HB2 C:HIS313 4.1 41.8 1.0
CG C:HIS313 4.2 36.4 1.0
N07 C:QEQ602 4.2 38.7 1.0
C06 C:QEQ602 4.3 37.5 1.0
NE2 C:HIS313 4.4 34.4 1.0
C08 C:QEQ602 4.5 39.7 1.0
HB2 B:ASN318 4.5 49.9 1.0
H061 C:QEQ602 4.5 45.1 1.0
HB3 C:HIS313 4.5 41.8 1.0
CB C:HIS313 4.5 34.7 1.0
O D:HOH747 4.6 38.7 1.0
O C:HOH788 4.6 47.6 1.0
N05 C:QEQ602 4.7 36.9 1.0
ND1 C:HIS313 4.7 35.4 1.0
H102 C:QEQ602 4.8 54.5 1.0
CE1 C:HIS313 4.8 37.0 1.0
HB1 D:ALA351 4.9 57.5 1.0
C15 C:QEQ602 4.9 39.6 1.0
C04 C:QEQ602 4.9 38.8 1.0
N09 C:QEQ602 5.0 40.7 1.0

Chlorine binding site 7 out of 13 in 6zbo

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Chlorine binding site 7 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl603

b:69.1
occ:1.00
 O D:HOH790 2.5 44.2 1.0
HD2 D:HIS313 3.7 43.6 1.0
CD2 D:HIS313 3.7 36.2 1.0
N07 D:QEQ602 3.9 39.8 1.0
C06 D:QEQ602 4.0 37.7 1.0
C08 D:QEQ602 4.0 40.3 1.0
CG D:HIS313 4.0 35.8 1.0
O D:HOH798 4.1 45.2 1.0
NE2 D:HIS313 4.2 34.6 1.0
HB2 D:HIS313 4.2 41.6 1.0
N05 D:QEQ602 4.2 33.7 1.0
H061 D:QEQ602 4.3 45.4 1.0
C15 D:QEQ602 4.4 39.1 1.0
C04 D:QEQ602 4.4 39.5 1.0
O D:HOH717 4.4 45.2 1.0
HB3 D:HIS313 4.5 41.6 1.0
O E:HOH735 4.5 42.2 1.0
CB D:HIS313 4.5 34.6 1.0
ND1 D:HIS313 4.6 36.0 1.0
N09 D:QEQ602 4.6 41.1 1.0
CE1 D:HIS313 4.6 37.5 1.0
H141 D:QEQ602 4.6 52.2 1.0
O D:HOH732 4.7 45.3 1.0
H102 D:QEQ602 4.7 53.5 1.0
HB1 E:ALA351 4.8 59.8 1.0
H151 D:QEQ602 4.8 47.0 1.0

Chlorine binding site 8 out of 13 in 6zbo

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Chlorine binding site 8 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl604

b:77.2
occ:1.00
 HE D:ARG396 2.1 75.6 1.0
HD2 D:LYS400 2.9 77.6 1.0
NE D:ARG396 3.0 62.9 1.0
HG2 D:ARG396 3.1 59.4 1.0
HH21 D:ARG396 3.2 82.1 1.0
HE2 D:PHE391 3.5 57.5 1.0
CE2 D:PHE391 3.6 47.8 1.0
CG D:ARG396 3.6 49.4 1.0
HG3 D:ARG396 3.7 59.4 1.0
HD1 A:TYR403 3.7 60.1 1.0
O A:GLY406 3.7 99.7 1.0
CD D:ARG396 3.7 52.3 1.0
CD D:LYS400 3.8 64.6 1.0
NH2 D:ARG396 3.8 68.3 1.0
CZ D:ARG396 3.8 62.4 1.0
HA3 A:GLY406 3.9 128.1 1.0
CD2 D:PHE391 4.0 47.0 1.0
HD3 D:ARG396 4.0 62.9 1.0
HZ3 D:LYS400 4.0 94.6 1.0
CZ D:PHE391 4.1 48.0 1.0
HD3 D:LYS400 4.1 77.6 1.0
HD2 D:PHE391 4.1 56.5 1.0
CD1 A:TYR403 4.2 50.0 1.0
HE2 D:LYS400 4.2 85.6 1.0
HZ D:PHE391 4.3 57.7 1.0
HE1 A:TYR403 4.3 59.3 1.0
CE D:LYS400 4.5 71.2 1.0
O D:HOH724 4.5 45.1 1.0
CE1 A:TYR403 4.6 49.3 1.0
HD2 D:ARG396 4.6 62.9 1.0
HH22 D:ARG396 4.6 82.1 1.0
C A:GLY406 4.6 108.7 1.0
NZ D:LYS400 4.7 78.8 1.0
HB3 A:TYR403 4.7 61.9 1.0
CG D:PHE391 4.7 45.4 1.0
CA A:GLY406 4.7 106.6 1.0
CE1 D:PHE391 4.8 45.6 1.0
HG3 D:LYS400 4.8 72.8 1.0
CG D:LYS400 4.8 60.6 1.0
HG2 D:LYS400 4.8 72.8 1.0

Chlorine binding site 9 out of 13 in 6zbo

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Chlorine binding site 9 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl603

b:58.6
occ:1.00
 HB3 E:PRO373 3.0 51.3 1.0
HA E:HIS313 3.2 49.1 1.0
HG2 E:ARG312 3.2 52.4 1.0
HG23 E:VAL314 3.3 51.4 1.0
O E:HOH769 3.6 57.5 1.0
CA E:HIS313 3.8 40.9 1.0
O E:ARG312 3.8 39.9 1.0
HD2 E:ARG312 3.9 54.2 1.0
N E:HIS313 3.9 41.7 1.0
C E:ARG312 3.9 42.2 1.0
CB E:PRO373 3.9 42.6 1.0
C E:HIS313 4.0 40.1 1.0
HB3 E:ARG312 4.0 53.6 1.0
CG E:ARG312 4.0 43.6 1.0
H E:VAL314 4.2 47.0 1.0
H E:HIS313 4.2 50.1 1.0
CG2 E:VAL314 4.2 42.7 1.0
O E:HOH706 4.3 45.4 1.0
N E:VAL314 4.3 39.1 1.0
HB2 E:PRO373 4.3 51.3 1.0
O E:HOH740 4.3 43.7 1.0
CD E:ARG312 4.4 45.1 1.0
HG3 E:PRO373 4.4 52.8 1.0
CB E:ARG312 4.5 44.6 1.0
HA E:PRO373 4.5 48.3 1.0
O E:HIS313 4.5 39.3 1.0
O E:HOH770 4.5 52.2 1.0
HD3 E:ARG312 4.5 54.2 1.0
HG21 E:VAL314 4.6 51.4 1.0
HG22 E:VAL314 4.6 51.4 1.0
CG E:PRO373 4.7 43.9 1.0
HG3 E:ARG312 4.8 52.4 1.0
CA E:PRO373 4.8 40.1 1.0
O E:HOH768 4.8 55.9 1.0
O E:HOH716 4.8 49.6 1.0
CA E:ARG312 4.9 42.3 1.0
HG2 E:PRO373 4.9 52.8 1.0

Chlorine binding site 10 out of 13 in 6zbo

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Chlorine binding site 10 out of 13 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6- Morpholinopyrimidin-4-Yl)-4-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrazol-5-Ol (Molidustat) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl604

b:69.1
occ:1.00
 O E:HOH761 2.7 51.8 1.0
HD2 E:HIS313 3.7 49.4 1.0
CD2 E:HIS313 3.7 41.1 1.0
CG E:HIS313 4.0 40.9 1.0
HB2 E:HIS313 4.1 48.7 1.0
N07 E:QEQ602 4.1 45.0 1.0
C06 E:QEQ602 4.2 43.0 1.0
NE2 E:HIS313 4.2 39.8 1.0
HB3 E:HIS313 4.4 48.7 1.0
O C:HOH752 4.4 43.9 1.0
C08 E:QEQ602 4.4 46.0 1.0
CB E:HIS313 4.4 40.5 1.0
H061 E:QEQ602 4.4 51.7 1.0
N05 E:QEQ602 4.5 41.9 1.0
ND1 E:HIS313 4.6 40.6 1.0
CE1 E:HIS313 4.7 42.8 1.0
C15 E:QEQ602 4.7 46.1 1.0
HB2 F:ASN318 4.8 51.8 1.0
HB1 C:ALA351 4.8 62.8 1.0
C04 E:QEQ602 4.8 43.4 1.0
H141 E:QEQ602 4.9 60.0 1.0
N09 E:QEQ602 4.9 48.4 1.0
HB2 C:ALA351 5.0 62.8 1.0

Reference:

W.D.Figg Jr, Y.Nakashima, M.A.Mcdonough, J.P.Holt-Martyn, A.Krajnc, C.J.Schofield. Co-Crystal Structure of PHD2 with Molidustat and IOX4 Chemmedchem 2021.
ISSN: ESSN 1860-7187
DOI: 10.1002/CMDC.202100133
Page generated: Sat Apr 17 15:11:19 2021

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