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Calcium in PDB 4xlw: Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)

Protein crystallography data

The structure of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2), PDB code: 4xlw was solved by V.C.Luca, K.M.Jude, K.C.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 84.06 / 3.39
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 84.560, 95.570, 122.900, 90.00, 96.21, 90.00
R / Rfree (%) 25.7 / 31

Calcium Binding Sites:

The binding sites of Calcium atom in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) (pdb code 4xlw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2), PDB code: 4xlw:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 10 in 4xlw

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Calcium binding site 1 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:0.4
occ:1.00
O A:THR432 2.2 0.3 1.0
N A:GLY434 2.3 0.9 1.0
N A:SER435 2.3 0.4 1.0
C A:LEU433 2.3 0.3 1.0
O A:SER435 2.5 0.1 1.0
CA A:LEU433 2.5 0.6 1.0
C A:THR432 2.6 0.7 1.0
OE1 A:GLU415 2.7 0.6 1.0
OD2 A:ASP414 2.7 1.0 1.0
OD1 A:ASN431 2.7 1.0 1.0
N A:LEU433 2.7 0.0 1.0
C A:GLY434 3.0 0.3 1.0
CA A:GLY434 3.1 1.0 1.0
O A:LEU433 3.1 0.6 1.0
CA A:SER435 3.2 0.5 1.0
C A:SER435 3.2 0.5 1.0
CA A:THR432 3.8 0.4 1.0
CG A:ASN431 3.8 0.1 1.0
CD A:GLU415 3.9 0.6 1.0
CG A:ASP414 3.9 0.2 1.0
N A:THR432 4.0 0.5 1.0
CB A:LEU433 4.0 0.3 1.0
O A:GLY434 4.2 0.6 1.0
CB A:THR432 4.4 0.9 1.0
ND2 A:ASN431 4.4 0.2 1.0
OE2 A:GLU415 4.4 0.1 1.0
CB A:SER435 4.4 0.0 1.0
N A:PHE436 4.5 0.6 1.0
OD1 A:ASP414 4.7 0.4 1.0
C A:ASN431 4.8 0.9 1.0
CB A:ASP414 4.9 0.8 1.0
CG A:LEU433 4.9 0.3 1.0
CG A:GLU415 5.0 0.5 1.0

Calcium binding site 2 out of 10 in 4xlw

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Calcium binding site 2 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:0.1
occ:1.00
OD2 A:ASP469 2.4 0.5 1.0
OD1 A:ASP469 2.4 0.7 1.0
OD1 A:ASP452 2.4 0.9 1.0
O A:GLN470 2.5 0.7 1.0
OE1 A:GLU455 2.5 0.6 1.0
O A:VAL453 2.5 0.1 1.0
OD2 A:ASP452 2.5 0.3 1.0
CG A:ASP469 2.7 0.5 1.0
CG A:ASP452 2.8 0.2 1.0
CD A:GLU455 3.5 0.9 1.0
C A:GLN470 3.5 1.0 1.0
C A:VAL453 3.7 0.0 1.0
OE2 A:GLU455 3.7 0.8 1.0
CB A:ASP469 4.1 0.0 1.0
C A:ASP469 4.2 0.1 1.0
N A:GLN470 4.2 0.9 1.0
CB A:ASP452 4.2 0.2 1.0
O A:ASP469 4.3 0.9 1.0
N A:ILE471 4.3 0.4 1.0
CA A:GLN470 4.4 0.1 1.0
CA A:ASN454 4.4 0.6 1.0
CA A:ILE471 4.4 0.8 1.0
N A:GLU455 4.4 0.8 1.0
N A:VAL453 4.4 0.3 1.0
N A:ASN454 4.4 0.4 1.0
OG1 B:THR110 4.5 0.5 1.0
C A:ASP452 4.5 0.8 1.0
CA A:ASP469 4.7 0.3 1.0
CA A:VAL453 4.7 0.0 1.0
N A:GLY472 4.7 0.4 1.0
CG A:GLU455 4.8 0.9 1.0
CA A:ASP452 4.8 1.0 1.0
O A:ASP452 4.9 0.7 1.0
C A:ASN454 4.9 0.1 1.0
O A:GLY443 4.9 0.4 1.0

Calcium binding site 3 out of 10 in 4xlw

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Calcium binding site 3 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:0.4
occ:1.00
OE1 A:GLU493 2.4 0.4 1.0
OD1 A:ASP507 2.4 0.5 1.0
OD2 A:ASP507 2.4 0.2 1.0
OE2 A:GLU493 2.4 0.3 1.0
O A:THR491 2.4 0.9 1.0
OD1 A:ASN490 2.4 0.9 1.0
O A:LYS508 2.7 0.5 1.0
CD A:GLU493 2.7 0.4 1.0
CG A:ASP507 2.7 0.2 1.0
C A:THR491 3.5 0.3 1.0
C A:LYS508 3.5 0.6 1.0
CG A:ASN490 3.6 0.5 1.0
N A:LYS508 4.2 0.4 1.0
CG A:GLU493 4.2 0.9 1.0
ND2 A:ASN490 4.2 0.2 1.0
CA A:ILE509 4.2 0.3 1.0
N A:ILE509 4.2 0.9 1.0
CB A:ASP507 4.2 0.6 1.0
N A:THR491 4.3 0.3 1.0
N A:GLU493 4.3 0.2 1.0
N A:ASP492 4.3 0.7 1.0
CA A:ASP492 4.4 0.1 1.0
CA A:THR491 4.4 0.5 1.0
C A:ASN490 4.4 0.4 1.0
CA A:LYS508 4.5 0.5 1.0
O A:ASN490 4.6 0.3 1.0
C A:ASP507 4.7 0.3 1.0
N A:ASN510 4.7 0.7 1.0
CB A:ASN490 4.8 0.1 1.0
C A:ASP492 4.9 0.8 1.0
O A:GLY481 4.9 1.0 1.0
CB A:GLU493 4.9 0.6 1.0
CA A:ASP507 4.9 0.1 1.0
CB A:THR491 5.0 0.2 1.0

Calcium binding site 4 out of 10 in 4xlw

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Calcium binding site 4 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca605

b:0.1
occ:1.00
N C:SER435 2.2 0.6 1.0
N C:GLY434 2.3 0.5 1.0
O C:THR432 2.3 0.7 1.0
OD2 C:ASP414 2.4 0.8 1.0
OE1 C:GLU415 2.4 0.4 1.0
CA C:GLY434 2.5 0.3 1.0
C C:GLY434 2.6 0.4 1.0
OD1 C:ASN431 2.6 0.3 1.0
O C:SER435 2.7 0.0 1.0
C C:LEU433 3.2 0.5 1.0
CA C:SER435 3.2 0.3 1.0
C C:SER435 3.3 0.4 1.0
C C:THR432 3.5 0.3 1.0
O C:GLY434 3.6 0.8 1.0
CD C:GLU415 3.6 0.9 1.0
CG C:ASP414 3.6 0.9 1.0
CG C:ASN431 3.8 0.3 1.0
CA C:LEU433 3.8 0.0 1.0
O C:LEU433 4.0 0.6 1.0
N C:LEU433 4.1 0.4 1.0
CB C:GLU415 4.3 0.8 1.0
ND2 C:ASN431 4.4 0.3 1.0
N C:THR432 4.4 0.7 1.0
OD1 C:ASP414 4.4 0.6 1.0
OE2 C:GLU415 4.5 0.6 1.0
CG C:GLU415 4.5 0.4 1.0
CA C:THR432 4.6 0.4 1.0
CB C:SER435 4.6 0.8 1.0
CB C:ASP414 4.6 0.1 1.0
N C:PHE436 4.6 0.2 1.0
N C:GLU415 4.8 1.0 1.0

Calcium binding site 5 out of 10 in 4xlw

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Calcium binding site 5 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca606

b:1.0
occ:1.00
OD1 C:ASP452 2.4 0.9 1.0
OD2 C:ASP469 2.4 0.6 1.0
OD1 C:ASP469 2.4 0.1 1.0
O C:GLN470 2.5 0.6 1.0
OD2 C:ASP452 2.5 0.4 1.0
OE1 C:GLU455 2.5 0.9 1.0
O C:VAL453 2.6 0.5 1.0
CG C:ASP469 2.7 0.5 1.0
CG C:ASP452 2.7 0.7 1.0
CD C:GLU455 3.4 0.3 1.0
C C:GLN470 3.5 0.5 1.0
OE2 C:GLU455 3.7 0.9 1.0
C C:VAL453 3.7 0.5 1.0
CB C:ASP469 4.1 0.8 1.0
C C:ASP469 4.1 95.3 1.0
N C:GLN470 4.1 89.2 1.0
CB C:ASP452 4.1 0.3 1.0
N C:ILE471 4.3 0.4 1.0
O C:ASP469 4.3 94.3 1.0
CA C:GLN470 4.3 92.3 1.0
CA C:ILE471 4.3 92.8 1.0
OG1 D:THR110 4.4 89.5 1.0
CA C:ASN454 4.5 0.9 1.0
N C:VAL453 4.5 0.7 1.0
N C:GLU455 4.5 92.5 1.0
N C:ASN454 4.5 0.5 1.0
C C:ASP452 4.5 0.6 1.0
CA C:ASP469 4.6 0.5 1.0
CA C:VAL453 4.7 0.2 1.0
N C:GLY472 4.8 79.3 1.0
CG C:GLU455 4.8 1.0 1.0
CA C:ASP452 4.8 0.6 1.0
O C:ASP452 4.9 0.7 1.0
C C:ASN454 5.0 0.1 1.0

Calcium binding site 6 out of 10 in 4xlw

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Calcium binding site 6 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca607

b:0.4
occ:1.00
OE1 C:GLU493 2.4 0.6 1.0
OD1 C:ASP507 2.4 0.8 1.0
OD2 C:ASP507 2.4 0.5 1.0
OE2 C:GLU493 2.4 0.0 1.0
O C:THR491 2.4 0.1 1.0
OD1 C:ASN490 2.5 0.6 1.0
O C:LYS508 2.7 0.3 1.0
CD C:GLU493 2.7 0.6 1.0
CG C:ASP507 2.7 0.6 1.0
C C:THR491 3.5 0.2 1.0
C C:LYS508 3.6 0.3 1.0
CG C:ASN490 3.6 0.4 1.0
CG C:GLU493 4.2 0.6 1.0
CA C:ILE509 4.2 0.2 1.0
N C:LYS508 4.2 0.4 1.0
N C:ILE509 4.2 0.7 1.0
ND2 C:ASN490 4.2 0.1 1.0
CB C:ASP507 4.3 0.4 1.0
N C:THR491 4.3 0.3 1.0
N C:GLU493 4.3 0.2 1.0
N C:ASP492 4.3 0.9 1.0
CA C:ASP492 4.4 0.0 1.0
CA C:THR491 4.4 0.4 1.0
C C:ASN490 4.4 0.9 1.0
CA C:LYS508 4.5 0.2 1.0
O C:ASN490 4.6 0.9 1.0
N C:ASN510 4.7 0.9 1.0
C C:ASP507 4.7 0.3 1.0
O C:GLY481 4.8 0.9 1.0
CB C:ASN490 4.8 0.9 1.0
C C:ASP492 4.9 0.7 1.0
CB C:GLU493 4.9 0.1 1.0
CA C:ASP507 5.0 0.7 1.0
CB C:THR491 5.0 0.2 1.0

Calcium binding site 7 out of 10 in 4xlw

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Calcium binding site 7 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca901

b:0.8
occ:1.00
OD1 E:ASP452 2.4 0.8 1.0
OD1 E:ASP469 2.4 0.2 1.0
OD2 E:ASP469 2.4 0.1 1.0
O E:GLN470 2.4 0.2 1.0
OE1 E:GLU455 2.4 0.6 1.0
OD2 E:ASP452 2.5 0.8 1.0
O E:VAL453 2.6 0.3 1.0
CG E:ASP469 2.7 0.0 1.0
CG E:ASP452 2.7 0.3 1.0
CD E:GLU455 3.4 1.0 1.0
C E:GLN470 3.4 0.7 1.0
OE2 E:GLU455 3.6 0.6 1.0
C E:VAL453 3.8 0.5 1.0
C E:ASP469 4.1 0.5 1.0
N E:GLN470 4.1 0.8 1.0
CB E:ASP469 4.1 0.0 1.0
CB E:ASP452 4.1 0.8 1.0
O E:ASP469 4.2 1.0 1.0
CA E:GLN470 4.3 0.0 1.0
N E:ILE471 4.3 0.2 1.0
CA E:ILE471 4.4 0.3 1.0
OG1 F:THR110 4.4 0.8 1.0
N E:VAL453 4.5 0.4 1.0
N E:GLU455 4.5 0.2 1.0
CA E:ASN454 4.5 0.6 1.0
CA E:ASP469 4.6 1.0 1.0
C E:ASP452 4.6 0.8 1.0
N E:ASN454 4.6 0.1 1.0
CA E:VAL453 4.7 0.1 1.0
CG E:GLU455 4.8 0.8 1.0
N E:GLY472 4.8 0.7 1.0
CA E:ASP452 4.8 0.1 1.0
O E:ASP452 4.9 0.8 1.0

Calcium binding site 8 out of 10 in 4xlw

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Calcium binding site 8 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca902

b:0.1
occ:1.00
O E:LYS508 1.8 0.1 1.0
OE1 E:GLU493 2.4 0.3 1.0
OE2 E:GLU493 2.4 0.5 1.0
OD2 E:ASP507 2.5 0.7 1.0
OD1 E:ASP507 2.5 0.7 1.0
C E:LYS508 2.5 0.4 1.0
OD1 E:ASN490 2.7 0.3 1.0
O E:THR491 2.7 0.8 1.0
CD E:GLU493 2.7 0.9 1.0
CG E:ASP507 2.8 0.2 1.0
N E:ILE509 3.2 0.7 1.0
CA E:ILE509 3.3 0.7 1.0
N E:LYS508 3.6 0.2 1.0
CA E:LYS508 3.6 0.1 1.0
CG E:ASN490 3.8 0.9 1.0
C E:THR491 3.8 0.2 1.0
N E:ASN510 4.1 0.2 1.0
C E:ILE509 4.2 0.4 1.0
CG E:GLU493 4.2 0.8 1.0
CB E:ASP507 4.3 0.5 1.0
ND2 E:ASN490 4.3 0.6 1.0
C E:ASP507 4.3 0.7 1.0
CG1 E:ILE509 4.3 0.8 1.0
CB E:ILE509 4.4 0.6 1.0
N E:GLU493 4.5 0.9 1.0
O E:GLU511 4.6 0.7 1.0
N E:THR491 4.7 0.7 1.0
N E:ASP492 4.7 0.9 1.0
CA E:ASP492 4.7 0.3 1.0
CA E:ASP507 4.8 0.2 1.0
CA E:THR491 4.8 0.1 1.0
C E:ASN490 4.8 0.0 1.0
CB E:LYS508 4.9 0.9 1.0
O E:GLY481 5.0 0.9 1.0

Calcium binding site 9 out of 10 in 4xlw

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Calcium binding site 9 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca901

b:0.6
occ:1.00
OD1 G:ASP469 2.4 0.5 1.0
OD1 G:ASP452 2.4 0.1 1.0
OD2 G:ASP469 2.4 0.7 1.0
OD2 G:ASP452 2.4 0.3 1.0
O G:GLN470 2.5 0.7 1.0
OE1 G:GLU455 2.5 0.3 1.0
O G:VAL453 2.6 0.8 1.0
CG G:ASP469 2.7 0.8 1.0
CG G:ASP452 2.7 0.5 1.0
CD G:GLU455 3.4 95.3 1.0
C G:GLN470 3.5 0.2 1.0
OE2 G:GLU455 3.7 90.5 1.0
C G:VAL453 3.7 1.0 1.0
N G:GLN470 4.1 0.6 1.0
C G:ASP469 4.1 0.5 1.0
CB G:ASP469 4.1 0.3 1.0
CB G:ASP452 4.1 0.1 1.0
CA G:GLN470 4.3 0.4 1.0
O G:ASP469 4.3 0.5 1.0
N G:ILE471 4.3 0.9 1.0
CA G:ASN454 4.4 0.1 1.0
N G:GLU455 4.4 0.4 1.0
CA G:ILE471 4.4 0.2 1.0
N G:ASN454 4.5 0.5 1.0
OG1 H:THR110 4.5 0.8 1.0
N G:VAL453 4.5 0.3 1.0
C G:ASP452 4.6 0.4 1.0
CA G:ASP469 4.6 0.8 1.0
CA G:VAL453 4.7 0.2 1.0
CG G:GLU455 4.8 95.3 1.0
CA G:ASP452 4.9 0.8 1.0
N G:GLY472 4.9 0.2 1.0
O G:ASP452 4.9 0.6 1.0
C G:ASN454 4.9 0.8 1.0

Calcium binding site 10 out of 10 in 4xlw

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Calcium binding site 10 out of 10 in the Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Complex of NOTCH1 (EGF11-13) Bound to Delta-Like 4 (N-EGF2) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca902

b:1.0
occ:1.00
OE1 G:GLU493 2.4 0.1 1.0
OD1 G:ASP507 2.4 0.9 1.0
OE2 G:GLU493 2.4 0.3 1.0
OD2 G:ASP507 2.4 0.4 1.0
O G:THR491 2.4 0.0 1.0
OD1 G:ASN490 2.5 0.2 1.0
O G:LYS508 2.6 0.8 1.0
CD G:GLU493 2.7 0.1 1.0
CG G:ASP507 2.7 0.6 1.0
C G:THR491 3.5 0.4 1.0
C G:LYS508 3.5 0.7 1.0
CG G:ASN490 3.6 0.9 1.0
N G:LYS508 4.1 0.3 1.0
CG G:GLU493 4.2 0.1 1.0
N G:ILE509 4.2 0.3 1.0
N G:GLU493 4.2 1.0 1.0
CA G:ILE509 4.2 0.1 1.0
ND2 G:ASN490 4.2 0.0 1.0
N G:ASP492 4.2 0.1 1.0
CB G:ASP507 4.2 0.5 1.0
CA G:ASP492 4.3 0.8 1.0
N G:THR491 4.3 0.7 1.0
CA G:LYS508 4.4 0.9 1.0
C G:ASN490 4.4 0.3 1.0
CA G:THR491 4.5 0.3 1.0
O G:ASN490 4.5 0.6 1.0
C G:ASP507 4.7 0.6 1.0
CB G:ASN490 4.7 0.2 1.0
N G:ASN510 4.8 1.0 1.0
C G:ASP492 4.8 0.6 1.0
O G:GLY481 4.8 0.4 1.0
CB G:GLU493 4.9 0.7 1.0
CA G:ASP507 4.9 0.6 1.0

Reference:

V.C.Luca, K.M.Jude, N.W.Pierce, M.V.Nachury, S.Fischer, K.C.Garcia. Structural Basis For NOTCH1 Engagement of Delta-Like 4. Science V. 347 2015.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.1261093
Page generated: Sun Jul 14 14:37:11 2024

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