Magnesium in PDB 6unp: Crystal Structure of the Kinase Domain of BMPR2-D485G

Enzymatic activity of Crystal Structure of the Kinase Domain of BMPR2-D485G

All present enzymatic activity of Crystal Structure of the Kinase Domain of BMPR2-D485G:
2.7.11.30;

Protein crystallography data

The structure of Crystal Structure of the Kinase Domain of BMPR2-D485G, PDB code: 6unp was solved by C.Agnew, N.Jura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.99 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.497, 138.497, 109.992, 90, 90, 120
R / Rfree (%) 18.9 / 21.1

Other elements in 6unp:

The structure of Crystal Structure of the Kinase Domain of BMPR2-D485G also contains other interesting chemical elements:

Arsenic (As) 7 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of the Kinase Domain of BMPR2-D485G (pdb code 6unp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 18 binding sites of Magnesium where determined in the Crystal Structure of the Kinase Domain of BMPR2-D485G, PDB code: 6unp:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 18 in 6unp

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Magnesium binding site 1 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg603

b:39.2
occ:1.00
 O A:HOH717 1.9 45.0 1.0
O2B A:ADP601 2.0 41.0 1.0
OD2 A:ASP351 2.0 40.6 1.0
OD1 A:ASN338 2.1 38.8 1.0
O1A A:ADP601 2.1 35.9 1.0
O A:HOH726 2.2 36.5 1.0
CG A:ASN338 3.1 39.9 1.0
CG A:ASP351 3.2 39.2 1.0
PB A:ADP601 3.2 40.6 1.0
PA A:ADP601 3.4 39.8 1.0
ND2 A:ASN338 3.4 36.0 1.0
O3A A:ADP601 3.6 36.5 1.0
O3B A:ADP601 3.6 43.0 1.0
CB A:ASP351 3.8 36.3 1.0
MG A:MG609 3.9 69.6 1.0
O A:HOH709 4.0 56.4 1.0
OD1 A:ASP351 4.2 41.8 1.0
O A:HOH705 4.4 52.9 1.0
O5' A:ADP601 4.4 39.4 1.0
CB A:ASN338 4.4 37.2 1.0
O2A A:ADP601 4.5 40.8 1.0
C5' A:ADP601 4.5 40.6 1.0
O A:HOH723 4.5 43.1 1.0
O1B A:ADP601 4.5 39.8 1.0
O A:ARG337 4.5 38.3 1.0
O4 A:SO4611 4.5 126.0 1.0
O1 A:SO4611 4.7 120.6 1.0
CA A:ASN338 4.8 41.9 1.0
C A:ARG337 4.9 42.6 1.0

Magnesium binding site 2 out of 18 in 6unp

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Magnesium binding site 2 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg604

b:98.4
occ:1.00
 SG A:CYS302 2.2 53.3 1.0
CB A:LEU504 3.2 69.2 1.0
CZ2 A:TRP298 3.5 64.9 1.0
CB A:CYS302 3.6 47.2 1.0
N A:MET505 3.8 61.0 1.0
O A:MET501 3.9 66.5 1.0
CE2 A:TRP298 3.9 64.9 1.0
CD1 A:LEU504 4.0 80.1 1.0
SD A:MET501 4.0 64.4 1.0
CH2 A:TRP298 4.1 62.9 1.0
C A:LEU504 4.1 64.4 1.0
CG A:LEU504 4.2 76.1 1.0
NE1 A:TRP298 4.2 66.2 1.0
CA A:LEU504 4.3 67.9 1.0
CG A:MET505 4.3 67.4 0.5
CZ A:PHE417 4.4 42.6 1.0
CA A:MET505 4.5 65.2 0.5
CA A:MET505 4.5 65.3 0.5
CA A:CYS302 4.6 45.4 1.0
CE1 A:PHE417 4.6 44.2 1.0
CE A:MET505 4.8 66.3 0.5
O A:LEU504 4.8 71.5 1.0
CB A:MET505 4.8 65.6 0.5
CB A:MET505 4.8 65.5 0.5
CD2 A:TRP298 4.9 63.1 1.0
C A:MET501 4.9 61.9 1.0
CZ3 A:TRP298 4.9 59.5 1.0

Magnesium binding site 3 out of 18 in 6unp

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Magnesium binding site 3 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg605

b:81.5
occ:1.00
 NH1 A:ARG357 2.6 63.8 1.0
CD A:ARG357 3.2 55.1 1.0
O A:HOH728 3.5 48.3 1.0
CZ A:ARG357 3.6 67.3 1.0
NE A:ARG357 3.8 65.9 1.0
CD1 A:ILE246 3.8 44.4 1.0
CG A:ARG357 3.8 51.5 1.0
CG1 A:ILE246 4.4 43.0 1.0
OD1 A:ASN242 4.4 49.9 1.0
CB A:ASN245 4.6 44.9 1.0
NH2 A:ARG357 4.8 61.2 1.0
N A:ILE246 4.9 46.4 1.0
O A:ASN242 4.9 47.7 1.0

Magnesium binding site 4 out of 18 in 6unp

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Magnesium binding site 4 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg606

b:70.8
occ:1.00
 O A:MET383 2.7 60.6 1.0
OH A:TYR407 2.8 50.8 1.0
O A:ARG381 2.9 55.4 1.0
CE1 A:TYR407 3.4 47.4 1.0
CZ A:TYR407 3.5 47.5 1.0
CG2 A:VAL453 3.5 56.3 1.0
CE A:MET449 3.6 75.8 1.0
CE2 A:PHE436 3.6 54.8 1.0
C A:MET383 3.7 59.8 1.0
N A:MET383 3.7 55.6 1.0
C A:ARG381 3.8 58.4 1.0
C A:TYR382 3.9 50.6 1.0
CG1 A:VAL453 4.0 61.0 1.0
CA A:TYR382 4.1 47.9 1.0
CD1 A:LEU411 4.2 46.5 1.0
CB A:VAL453 4.2 64.2 1.0
CD2 A:PHE436 4.3 52.4 1.0
CZ A:PHE436 4.3 56.1 1.0
CA A:MET383 4.3 58.7 1.0
N A:TYR382 4.3 51.1 1.0
O A:ILE380 4.5 53.6 1.0
O A:TYR382 4.5 51.7 1.0
CD1 A:LEU388 4.6 67.1 1.0
CD1 A:TYR407 4.7 45.1 1.0
N A:ALA384 4.7 54.3 1.0
CE2 A:TYR407 4.8 46.6 1.0
CA A:ARG381 5.0 57.4 1.0

Magnesium binding site 5 out of 18 in 6unp

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Magnesium binding site 5 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg607

b:73.3
occ:1.00
 OE1 A:GLU499 2.4 75.0 1.0
SG A:CAS496 3.0 79.7 1.0
CD A:GLU499 3.6 73.0 1.0
CA A:CAS496 3.9 63.4 1.0
CB A:CAS496 4.0 73.9 1.0
OE2 A:GLU499 4.1 81.7 1.0
N A:CAS496 4.5 59.8 1.0
CG A:GLU499 4.7 61.9 1.0
CB A:GLU499 4.8 52.8 1.0
O A:GLN495 4.8 54.1 1.0
C A:GLN495 4.8 55.4 1.0

Magnesium binding site 6 out of 18 in 6unp

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Magnesium binding site 6 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg608

b:74.2
occ:1.00
 N A:GLN238 2.5 52.5 1.0
CB A:GLN238 3.0 57.2 1.0
O A:ALA235 3.0 56.4 1.0
N A:ARG237 3.1 55.8 1.0
CA A:GLN238 3.3 52.2 1.0
C A:ASN236 3.5 46.7 1.0
C A:ARG237 3.6 60.6 1.0
CG A:GLN238 3.7 68.4 1.0
CA A:ARG237 3.7 57.5 1.0
C A:ALA235 3.7 55.8 1.0
CA A:ASN236 3.8 46.6 1.0
CB A:ARG237 4.0 58.4 1.0
N A:ASN236 4.1 51.1 1.0
O A:ASN236 4.2 50.2 1.0
O A:PHE234 4.3 52.9 1.0
N A:ASN239 4.3 43.0 1.0
C A:GLN238 4.4 51.9 1.0
OD1 A:ASN239 4.5 63.1 1.0
O A:ARG237 4.7 62.3 1.0
CA A:ALA235 4.9 56.7 1.0

Magnesium binding site 7 out of 18 in 6unp

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Magnesium binding site 7 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg609

b:69.6
occ:1.00
 O1 A:SO4611 2.1 120.6 1.0
N A:ARG213 2.7 51.6 1.0
O2B A:ADP601 2.9 41.0 1.0
O A:HOH726 2.9 36.5 1.0
NH1 A:ARG213 3.2 64.1 1.0
S A:SO4611 3.3 124.4 1.0
CB A:ARG213 3.5 66.8 1.0
CA A:GLY212 3.5 39.2 1.0
O4 A:SO4611 3.5 126.0 1.0
C A:GLY212 3.6 41.0 1.0
CA A:ARG213 3.7 56.1 1.0
O A:HOH709 3.7 56.4 1.0
PB A:ADP601 3.9 40.6 1.0
CD A:ARG213 3.9 83.9 1.0
MG A:MG603 3.9 39.2 1.0
O1B A:ADP601 4.0 39.8 1.0
O A:HOH705 4.0 52.9 1.0
CG A:ARG213 4.0 78.5 1.0
O2 A:SO4611 4.1 125.2 1.0
O A:HOH717 4.1 45.0 1.0
CZ A:ARG213 4.1 74.5 1.0
O3 A:SO4611 4.4 127.3 1.0
NE A:ARG213 4.4 83.9 1.0
O3B A:ADP601 4.5 43.0 1.0
N A:TYR214 4.5 49.7 1.0
C A:ARG213 4.6 55.8 1.0
CD2 A:TYR214 4.6 52.3 1.0
O A:GLY212 4.8 45.0 1.0
CE2 A:TYR214 4.8 54.5 1.0
OD2 A:ASP351 4.8 40.6 1.0
N A:GLY212 4.8 42.3 1.0
OD2 A:ASP333 5.0 56.5 1.0

Magnesium binding site 8 out of 18 in 6unp

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Magnesium binding site 8 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:40.6
occ:1.00
 O B:HOH718 1.9 38.7 1.0
O1A B:ADP601 2.0 41.7 1.0
O B:HOH717 2.0 41.4 1.0
OD2 B:ASP351 2.1 39.4 1.0
OD1 B:ASN338 2.1 46.9 1.0
O1B B:ADP601 2.1 41.6 1.0
CG B:ASP351 3.1 44.2 1.0
CG B:ASN338 3.1 45.4 1.0
PB B:ADP601 3.2 41.1 1.0
PA B:ADP601 3.2 37.6 1.0
ND2 B:ASN338 3.5 43.9 1.0
O2B B:ADP601 3.5 43.6 1.0
O3A B:ADP601 3.6 37.7 1.0
CB B:ASP351 3.6 42.3 1.0
O B:HOH736 4.0 52.3 1.0
OD1 B:ASP351 4.1 41.4 1.0
O2A B:ADP601 4.2 38.4 1.0
O B:HOH701 4.2 49.7 1.0
O B:HOH739 4.3 42.7 1.0
O5' B:ADP601 4.3 40.2 1.0
CB B:ASN338 4.5 42.6 1.0
C5' B:ADP601 4.5 34.7 1.0
O B:ARG337 4.5 49.7 1.0
O3B B:ADP601 4.5 41.9 1.0
O B:HOH722 4.6 52.0 1.0
CA B:ASN338 4.8 43.3 1.0
O B:HOH729 4.9 49.8 1.0
C B:ARG337 4.9 49.8 1.0
O3' B:ADP601 5.0 38.1 1.0

Magnesium binding site 9 out of 18 in 6unp

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Magnesium binding site 9 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg603

b:60.7
occ:1.00
 N B:TYR281 2.8 38.9 1.0
O B:PRO226 2.8 42.5 1.0
O B:HOH731 3.0 52.9 1.0
CG B:GLU280 3.5 46.1 1.0
CB B:TYR281 3.5 38.9 1.0
CA B:GLU280 3.6 44.2 1.0
C B:PRO226 3.6 41.9 1.0
CA B:TYR281 3.6 39.0 1.0
C B:GLU280 3.7 41.0 1.0
O B:TYR281 3.8 41.3 1.0
CA B:VAL227 4.0 38.2 1.0
CB B:GLU280 4.1 42.6 1.0
N B:VAL227 4.2 38.8 1.0
C B:TYR281 4.2 41.7 1.0
NH2 B:ARG259 4.3 57.4 1.0
CD B:GLU280 4.5 54.8 1.0
CG B:PRO226 4.6 51.3 1.0
CB B:PRO226 4.6 46.9 1.0
CA B:PRO226 4.7 39.6 1.0
O B:MET279 4.7 46.6 1.0
CG B:TYR281 4.8 39.4 1.0
CG1 B:VAL227 4.9 37.7 1.0
O B:GLU280 4.9 39.8 1.0
N B:GLU280 4.9 45.1 1.0
C B:VAL227 4.9 39.2 1.0

Magnesium binding site 10 out of 18 in 6unp

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Magnesium binding site 10 out of 18 in the Crystal Structure of the Kinase Domain of BMPR2-D485G


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of the Kinase Domain of BMPR2-D485G within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg604

b:74.1
occ:1.00
 NH1 B:ARG248 3.2 75.5 1.0
NZ B:LYS244 3.3 54.9 1.0
CA B:ASN245 3.8 44.7 1.0
ND2 B:ASN245 3.9 64.3 1.0
CB B:ASN245 4.0 49.6 1.0
N B:ASN245 4.2 41.6 1.0
CD B:ARG248 4.2 54.8 1.0
CG B:LYS244 4.3 44.5 1.0
CZ B:ARG248 4.4 71.9 1.0
C B:LYS244 4.5 43.6 1.0
CG B:ASN245 4.5 63.5 1.0
CE B:LYS244 4.5 52.8 1.0
O B:LYS244 4.5 44.5 1.0
NE B:ARG248 4.7 66.5 1.0
CD B:LYS244 4.9 46.6 1.0
CB B:ARG248 4.9 43.3 1.0
CG B:ARG248 4.9 47.5 1.0

Reference:

C.Agnew, N.Jura. Crystal Structure of the Kinase Domain of Bone Morphogenetic Protein II (BMPR2) with Mutation D485G at 2.3 A Resolution To Be Published.
Page generated: Sun Jul 11 14:57:46 2021

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