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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

Go back to Chlorine Binding Sites List in 6zbo
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: Mon Jul 29 18:02:50 2024

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