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Zinc in PDB 6hur: 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose

Protein crystallography data

The structure of 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose, PDB code: 6hur was solved by M.Ejby, M.Abou Hachem, L.Lo Leggio, T.Katayama, M.Sakanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.61 / 1.30
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.000, 134.000, 59.700, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 17.1

Zinc Binding Sites:

The binding sites of Zinc atom in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose (pdb code 6hur). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose, PDB code: 6hur:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 6hur

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Zinc binding site 1 out of 5 in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn506

b:25.3
occ:0.68
OE1 A:GLU134 2.0 30.7 1.0
OE2 A:GLU134 2.0 26.5 1.0
NE2 A:HIS150 2.1 30.1 1.0
CD A:GLU134 2.1 27.3 1.0
CD2 A:HIS150 2.9 24.8 1.0
HD2 A:HIS150 3.1 29.8 1.0
CE1 A:HIS150 3.1 24.3 1.0
HE1 A:HIS150 3.4 29.2 1.0
CG A:GLU134 3.5 36.9 1.0
HG2 A:GLU134 3.5 44.3 1.0
HE1 A:TRP146 3.7 23.7 1.0
HG3 A:GLU134 4.0 44.3 1.0
O A:HOH608 4.0 35.9 1.0
CG A:HIS150 4.1 22.1 1.0
ND1 A:HIS150 4.1 19.6 1.0
NE1 A:TRP146 4.4 19.7 1.0
HB2 A:GLU134 4.4 29.0 1.0
CB A:GLU134 4.6 24.1 1.0
HD13 A:LEU155 4.8 25.0 1.0
HZ2 A:TRP146 4.8 23.7 1.0
HD1 A:HIS150 4.9 23.5 1.0
HB2 A:LEU155 4.9 19.3 1.0
HD22 A:LEU155 5.0 26.5 1.0

Zinc binding site 2 out of 5 in 6hur

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Zinc binding site 2 out of 5 in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn507

b:16.4
occ:0.88
OD2 A:ASP348 2.0 13.8 1.0
OD2 A:ASP350 2.0 21.2 1.0
O A:HOH998 2.2 14.1 1.0
OD1 A:ASP348 2.6 18.7 1.0
HB2 A:ASP350 2.6 20.6 1.0
CG A:ASP348 2.6 16.1 1.0
CG A:ASP350 2.9 18.7 1.0
H A:ASP350 3.0 17.1 1.0
CB A:ASP350 3.2 17.1 1.0
HE1 A:TRP344 3.4 18.8 1.0
N A:ASP350 3.8 14.2 1.0
HB3 A:ASP350 3.9 20.6 1.0
HZ2 A:TRP344 4.0 19.3 1.0
O A:HOH962 4.0 28.4 1.0
NE1 A:TRP344 4.0 15.7 1.0
CA A:ASP350 4.1 15.3 1.0
OD1 A:ASP350 4.1 24.8 1.0
CB A:ASP348 4.1 14.5 1.0
HB3 A:ASP348 4.4 17.4 1.0
HE3 A:LYS74 4.4 32.7 1.0
H A:ALA351 4.4 16.0 1.0
H A:LYS349 4.4 17.5 1.0
CZ2 A:TRP344 4.6 16.1 1.0
CE2 A:TRP344 4.6 14.6 1.0
HB2 A:ASP348 4.6 17.4 1.0
N A:LYS349 4.7 14.6 1.0
HA A:ASP350 4.8 18.4 1.0
HB2 A:LYS349 4.8 18.6 1.0
C A:ASP348 4.9 13.4 1.0
C A:LYS349 5.0 14.9 1.0
HG2 A:LYS74 5.0 20.2 1.0
N A:ALA351 5.0 13.4 1.0
CA A:ASP348 5.0 13.3 1.0

Zinc binding site 3 out of 5 in 6hur

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Zinc binding site 3 out of 5 in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn508

b:18.6
occ:0.60
O A:HOH969 2.0 29.9 1.0
NE2 A:HIS177 2.0 17.8 1.0
OD2 A:ASP199 2.1 28.2 1.0
O A:HOH1009 2.2 15.4 1.0
HB2 A:ASP199 2.9 25.5 1.0
CE1 A:HIS177 3.0 22.6 1.0
CD2 A:HIS177 3.1 18.3 1.0
CG A:ASP199 3.1 26.8 1.0
HE1 A:HIS177 3.1 27.1 1.0
HD2 A:HIS177 3.3 22.0 1.0
CB A:ASP199 3.4 21.2 1.0
HD2 A:LYS202 3.4 22.2 1.0
HB3 A:ASP199 3.6 25.5 1.0
HG2 A:GLU176 3.6 30.9 1.0
HE2 A:LYS202 3.9 24.4 1.0
HG23 A:ILE173 4.1 19.7 1.0
ND1 A:HIS177 4.1 20.6 1.0
HG3 A:GLU176 4.1 30.9 1.0
HE3 A:LYS202 4.2 24.4 1.0
CG A:HIS177 4.2 16.1 1.0
OD1 A:ASP199 4.2 24.7 1.0
CD A:LYS202 4.2 18.5 1.0
CE A:LYS202 4.3 20.3 1.0
CG A:GLU176 4.3 25.7 1.0
O A:HOH1034 4.4 42.0 1.0
HD11 A:LEU195 4.4 20.0 1.0
HD12 A:LEU195 4.4 20.0 1.0
HB3 A:GLU176 4.7 25.9 1.0
CA A:ASP199 4.8 17.0 1.0
CD1 A:LEU195 4.8 16.7 1.0
HD3 A:LYS202 4.8 22.2 1.0
HD1 A:HIS177 4.9 24.7 1.0
HG3 A:LYS202 4.9 21.4 1.0
CG2 A:ILE173 5.0 16.4 1.0

Zinc binding site 4 out of 5 in 6hur

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Zinc binding site 4 out of 5 in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn509

b:17.1
occ:0.89
OE1 A:GLU268 2.0 20.4 1.0
OD2 A:ASP267 2.0 20.0 1.0
O A:HOH964 2.0 22.0 1.0
OD1 A:ASP267 2.4 19.9 1.0
CG A:ASP267 2.6 15.9 1.0
OE2 A:GLU268 2.6 19.5 1.0
CD A:GLU268 2.7 18.7 1.0
H A:GLU268 4.0 17.4 1.0
CB A:ASP267 4.1 13.8 1.0
HH12 A:ARG271 4.1 22.1 1.0
O A:HOH663 4.1 20.7 1.0
CG A:GLU268 4.1 16.8 1.0
HG3 A:GLU268 4.3 20.1 1.0
HB3 A:ASP267 4.4 16.6 1.0
H A:ASP267 4.4 16.7 1.0
N A:GLU268 4.5 14.5 1.0
HH22 A:ARG271 4.5 23.2 1.0
HB2 A:ASP267 4.5 16.6 1.0
HG2 A:GLU268 4.6 20.1 1.0
CA A:ASP267 4.8 13.7 1.0
HB A:THR266 4.8 19.2 1.0
N A:ASP267 4.9 13.9 1.0
NH1 A:ARG271 4.9 18.4 1.0
C A:ASP267 4.9 13.9 1.0
O A:HOH744 5.0 22.4 1.0

Zinc binding site 5 out of 5 in 6hur

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Zinc binding site 5 out of 5 in the 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of 2'-Fucosyllactose and 3-Fucosyllactose Binding Protein From Bifidobacterium Longum Infantis, Bound with 2'-Fucosyllactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn510

b:0.1
occ:0.39
OE1 A:GLU53 2.0 33.7 1.0
O A:HOH656 2.1 26.4 1.0
O A:HOH996 2.6 35.4 1.0
HB2 A:ASN81 3.2 18.8 1.0
CD A:GLU53 3.2 35.2 1.0
HB3 A:LYS79 3.4 25.7 1.0
HB3 A:GLU53 3.5 26.2 1.0
HB2 A:LYS79 3.9 25.7 1.0
OE2 A:GLU53 3.9 35.5 1.0
HD3 A:LYS79 4.0 50.5 1.0
CB A:LYS79 4.1 21.4 1.0
CB A:ASN81 4.1 15.7 1.0
CB A:GLU53 4.3 21.8 1.0
CG A:GLU53 4.3 24.2 1.0
HA A:GLU53 4.4 23.3 1.0
HB3 A:ASN81 4.4 18.8 1.0
H A:ASN81 4.5 16.9 1.0
N A:ASN81 4.5 14.1 1.0
O A:LYS79 4.6 20.6 1.0
HA A:ASN81 4.6 18.0 1.0
CA A:ASN81 4.7 15.0 1.0
HG3 A:GLU53 4.7 29.0 1.0
HD2 A:LYS79 4.7 50.5 1.0
C A:LYS79 4.7 17.0 1.0
CD A:LYS79 4.7 42.1 1.0
O A:HOH983 4.8 47.8 1.0
C A:ILE80 4.8 17.4 1.0
CA A:GLU53 4.9 19.4 1.0
O A:HOH613 5.0 38.0 1.0

Reference:

M.Sakanaka, M.E.Hansen, A.Gotoh, T.Katoh, K.Yoshida, T.Odamaki, H.Yachi, Y.Sugiyama, S.Kurihara, J.Hirose, T.Urashima, J.Z.Xiao, M.Kitaoka, S.Fukiya, A.Yokota, L.Lo Leggio, M.Abou Hachem, T.Katayama. Evolutionary Adaptation in Fucosyllactose Uptake Systems Supports Bifidobacteria-Infant Symbiosis. Sci Adv V. 5 W7696 2019.
ISSN: ESSN 2375-2548
PubMed: 31489370
DOI: 10.1126/SCIADV.AAW7696
Page generated: Mon Oct 28 23:21:52 2024

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