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Samarium in PDB 4p1j: Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form

Enzymatic activity of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form

All present enzymatic activity of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form:
3.2.1.91;

Protein crystallography data

The structure of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form, PDB code: 4p1j was solved by A.B.Bodenheimer, M.J.Cuneo, P.D.Swartz, D.A.Myles, F.Meilleur, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 134.67 / 2.62
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 155.505, 155.505, 137.958, 90.00, 90.00, 120.00
R / Rfree (%) 17 / 21.3

Samarium Binding Sites:

The binding sites of Samarium atom in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form (pdb code 4p1j). This binding sites where shown within 5.0 Angstroms radius around Samarium atom.
In total 5 binding sites of Samarium where determined in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form, PDB code: 4p1j:
Jump to Samarium binding site number: 1; 2; 3; 4; 5;

Samarium binding site 1 out of 5 in 4p1j

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Samarium binding site 1 out of 5 in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 1 of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm504

b:25.7
occ:0.55
 OE2 A:GLU325 2.2 34.7 1.0
OE1 A:GLU325 2.3 43.6 1.0
OE2 A:GLU295 2.3 34.1 1.0
CD A:GLU325 2.4 48.3 1.0
OE1 A:GLU295 2.4 30.4 1.0
CD A:GLU295 2.7 29.2 1.0
CG A:GLU325 3.9 41.9 1.0
CG A:GLU295 4.2 26.4 1.0
O A:HOH605 4.5 19.4 1.0
CB A:ASN301 4.7 26.9 1.0
O A:HOH602 4.8 26.2 1.0
O A:HOH634 4.9 23.2 1.0
CB A:GLU325 4.9 33.5 1.0
CG A:ASN301 5.0 29.5 1.0

Samarium binding site 2 out of 5 in 4p1j

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Samarium binding site 2 out of 5 in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 2 of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm505

b:41.2
occ:1.00
 OE1 A:GLU337 2.0 46.7 1.0
O A:HOH613 2.0 33.4 1.0
O A:HOH615 2.3 34.2 1.0
O A:HOH603 2.4 27.3 1.0
O A:HOH625 2.5 50.4 1.0
CD A:GLU337 2.8 43.6 1.0
OE2 A:GLU337 3.0 47.0 1.0
CG A:GLU337 4.1 40.7 1.0
O A:HOH623 4.5 23.5 1.0
O A:HOH636 4.6 21.9 1.0

Samarium binding site 3 out of 5 in 4p1j

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Samarium binding site 3 out of 5 in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 3 of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm506

b:75.7
occ:0.50
 O A:HOH601 2.0 17.9 1.0
OD2 A:ASP328 2.6 44.8 1.0
OD1 A:ASP329 2.9 51.8 1.0
OD2 A:ASP329 3.0 46.5 1.0
CG A:ASP329 3.2 40.6 1.0
O A:HOH631 3.2 30.2 1.0
CG A:ASP328 3.9 58.4 1.0
CB A:ASP329 4.5 35.5 1.0
CB A:ASP328 4.6 44.9 1.0
N A:ASP329 4.7 29.9 1.0
OD1 A:ASP328 4.9 50.9 1.0
CA A:ASP329 4.9 30.4 1.0

Samarium binding site 4 out of 5 in 4p1j

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Samarium binding site 4 out of 5 in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 4 of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm507

b:83.5
occ:0.90
 OE1 A:GLU236 2.8 71.8 1.0
O A:HOH633 2.9 51.1 1.0
O A:ILE237 2.9 37.3 1.0
O A:HOH632 3.3 26.3 1.0
CD A:GLU236 3.5 72.6 1.0
OE2 A:GLU236 3.6 92.3 1.0
O A:HOH619 3.8 43.2 1.0
C A:ILE237 4.1 34.4 1.0
CA A:CYS238 4.4 34.8 1.0
O A:HOH629 4.5 36.9 1.0
O A:HOH635 4.5 45.7 1.0
N A:CYS238 4.7 32.1 1.0
CG2 A:ILE237 4.9 38.1 1.0
CG A:GLU236 4.9 64.0 1.0
CB A:CYS238 4.9 36.6 1.0

Samarium binding site 5 out of 5 in 4p1j

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Samarium binding site 5 out of 5 in the Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form


Mono view


Stereo pair view

A full contact list of Samarium with other atoms in the Sm binding site number 5 of Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sm508

b:74.2
occ:0.50
 OD1 A:ASP345 2.3 67.0 1.0
CG A:ASP345 3.5 49.9 1.0
OD2 A:ASP345 4.1 56.4 1.0
CB A:ASP345 4.6 45.1 1.0
OG A:SER341 4.7 45.7 1.0
CA A:ASP345 4.8 40.4 1.0
CB A:SER341 4.9 42.0 1.0

Reference:

A.B.Bodenheimer, M.J.Cuneo, P.D.Swartz, D.A.Myles, F.Meilleur, H.M.O'neill, J.He, B.R.Evans. Crystal Structure of Wild Type Hypocrea Jecorina CEL7A in A Hexagonal Crystal Form To Be Published.
Page generated: Thu Oct 10 13:52:09 2024

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