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Zinc in PDB 2pli: Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58

Protein crystallography data

The structure of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58, PDB code: 2pli was solved by B.Nocek, E.Duggan, M.Gu, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.718, 67.991, 129.044, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 (pdb code 2pli). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 13 binding sites of Zinc where determined in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58, PDB code: 2pli:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; 11; 12; 13;

Zinc binding site 1 out of 13 in 2pli

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Zinc binding site 1 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn703

b:21.4
occ:1.00
O A:HOH732 2.1 13.8 1.0
NE2 D:HIS20 2.2 12.8 1.0
OD1 A:ASP42 2.2 20.6 1.0
CG A:ASP42 2.9 16.0 1.0
OD2 A:ASP42 3.0 26.9 1.0
OE2 A:GLU26 3.0 12.5 1.0
OE1 A:GLU26 3.0 7.7 1.0
CD2 D:HIS20 3.2 11.4 1.0
CE1 D:HIS20 3.2 9.2 1.0
CD A:GLU26 3.4 8.2 1.0
O D:HOH804 4.0 12.3 1.0
OE1 A:GLU24 4.2 3.0 1.0
ND1 D:HIS20 4.3 15.6 1.0
CG D:HIS20 4.3 8.9 1.0
O A:ASP42 4.3 8.4 1.0
CB A:ASP42 4.4 11.3 1.0
O D:HOH859 4.5 27.8 1.0
NE D:ARG18 4.7 6.7 1.0
CG A:GLU24 4.7 7.2 1.0
CB A:GLU24 4.7 4.3 1.0
O D:ASP7 4.8 15.2 1.0
CD A:GLU24 4.8 6.5 1.0
CG A:GLU26 4.9 6.8 1.0
CA A:ASP42 4.9 11.5 1.0
O A:HOH818 5.0 40.8 1.0

Zinc binding site 2 out of 13 in 2pli

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Zinc binding site 2 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn704

b:9.2
occ:0.80
NE2 A:HIS54 2.0 5.9 1.0
OE2 A:GLU60 2.0 7.5 1.0
O A:HOH785 2.3 17.2 1.0
CD A:GLU60 2.6 6.7 1.0
OE1 A:GLU60 2.7 12.2 1.0
CD2 A:HIS54 2.9 9.4 1.0
CE1 A:HIS54 3.1 8.2 1.0
CG A:GLU60 4.0 7.4 1.0
CG A:HIS54 4.1 6.9 1.0
CA A:PRO56 4.2 4.6 1.0
ND1 A:HIS54 4.2 8.2 1.0
N A:VAL57 4.4 4.7 1.0
CB A:PRO56 4.6 6.2 1.0
O A:LEU55 4.7 5.7 1.0
CG2 A:VAL57 4.8 4.6 1.0
O A:HOH724 4.8 20.4 1.0
C A:PRO56 4.8 4.8 1.0

Zinc binding site 3 out of 13 in 2pli

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Zinc binding site 3 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn705

b:24.5
occ:0.70
NE2 A:HIS10 2.0 6.6 1.0
O A:HOH821 2.1 41.5 1.0
O A:HOH827 2.1 46.0 1.0
O A:HOH758 2.7 43.4 1.0
O A:HOH796 2.9 42.1 1.0
CD2 A:HIS10 3.0 10.8 1.0
CE1 A:HIS10 3.0 10.8 1.0
ND1 A:HIS10 4.1 9.3 1.0
CG A:HIS10 4.1 6.4 1.0
O A:HOH810 4.2 34.0 1.0
O A:ALA11 4.7 6.4 1.0
NH1 A:ARG18 4.8 19.8 1.0
CA A:VAL12 4.9 5.8 1.0
CG1 A:VAL12 5.0 6.1 1.0

Zinc binding site 4 out of 13 in 2pli

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Zinc binding site 4 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn706

b:15.2
occ:0.60
NE2 B:HIS10 2.0 11.1 1.0
NE2 B:HIS20 2.1 9.7 1.0
O B:HOH869 2.2 20.4 1.0
O B:HOH871 2.7 29.3 1.0
CE1 B:HIS10 3.0 14.8 1.0
CD2 B:HIS20 3.0 12.6 1.0
CD2 B:HIS10 3.0 15.9 1.0
CE1 B:HIS20 3.1 13.1 1.0
O B:HOH864 3.2 21.4 1.0
O B:ASP7 3.7 11.5 1.0
NH1 B:ARG18 4.0 25.5 1.0
ND1 B:HIS10 4.1 16.3 1.0
ND1 B:HIS20 4.2 15.7 1.0
CG B:HIS20 4.2 6.9 1.0
CG B:HIS10 4.2 13.5 1.0
C B:ASP7 4.9 9.6 1.0
CZ B:ARG18 5.0 23.9 1.0

Zinc binding site 5 out of 13 in 2pli

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Zinc binding site 5 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn707

b:11.8
occ:1.00
OD2 B:ASP42 1.9 7.4 0.5
OE2 B:GLU26 2.0 10.1 1.0
NE2 C:HIS20 2.1 7.3 1.0
O B:HOH808 2.2 11.8 1.0
OD1 B:ASP42 2.4 2.6 0.5
OE1 B:GLU26 2.4 4.9 1.0
CG B:ASP42 2.4 7.6 0.5
CD B:GLU26 2.5 5.8 1.0
CE1 C:HIS20 3.0 9.0 1.0
CD2 C:HIS20 3.2 8.4 1.0
O C:HOH809 3.8 12.7 1.0
CB B:ASP42 4.0 8.2 0.5
CG B:GLU26 4.0 5.4 1.0
OE1 B:GLU24 4.1 7.4 1.0
ND1 C:HIS20 4.2 10.8 1.0
O B:HOH832 4.2 28.9 1.0
NE C:ARG18 4.2 4.5 1.0
O B:HOH901 4.3 43.4 1.0
CG C:HIS20 4.3 7.5 1.0
O B:HOH886 4.4 37.4 1.0
O B:ASP42 4.4 6.3 0.5
O B:ASP42 4.5 7.2 0.5
CB B:GLU24 4.5 5.1 1.0
O B:HOH835 4.8 29.9 1.0
CG B:GLU24 4.9 7.2 1.0
CB B:ASP42 4.9 9.3 0.5
NH2 C:ARG18 4.9 6.6 1.0
CD C:ARG18 4.9 6.7 1.0
O C:ASP7 4.9 19.1 1.0
CB B:GLU26 5.0 4.2 1.0
CD B:GLU24 5.0 8.3 1.0
CA B:ASP42 5.0 8.4 0.5

Zinc binding site 6 out of 13 in 2pli

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Zinc binding site 6 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn708

b:17.1
occ:0.70
ND1 C:HIS80 2.0 16.1 1.0
OXT C:ACT803 2.1 28.3 1.0
OE1 B:GLU39 2.1 20.0 1.0
O C:HOH916 2.2 27.9 1.0
O C:ACT803 2.7 27.9 1.0
C C:ACT803 2.8 29.0 1.0
CD B:GLU39 2.8 20.6 1.0
CE1 C:HIS80 2.9 18.1 1.0
OE2 B:GLU39 2.9 23.2 1.0
CG C:HIS80 3.1 13.9 1.0
CB C:HIS80 3.5 12.9 1.0
CA C:HIS80 3.9 12.8 1.0
NE2 C:HIS80 4.0 17.3 1.0
O C:HOH880 4.1 30.8 1.0
CD2 C:HIS80 4.1 17.4 1.0
O C:HOH816 4.2 15.0 1.0
NH2 C:ARG73 4.2 26.4 1.0
CG B:GLU39 4.3 17.6 1.0
CH3 C:ACT803 4.3 28.4 1.0
O C:HIS80 4.7 10.6 1.0
NH1 C:ARG78 4.8 32.5 1.0
C C:HIS80 4.8 11.6 1.0
O C:LEU79 4.8 13.8 1.0
NE C:ARG78 4.8 31.6 1.0
CZ C:ARG73 4.9 25.8 1.0
N C:HIS80 5.0 12.8 1.0

Zinc binding site 7 out of 13 in 2pli

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Zinc binding site 7 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn709

b:33.2
occ:1.00
OXT B:ACT802 2.1 43.3 1.0
NE2 B:HIS54 2.1 16.6 1.0
OE2 B:GLU60 2.1 15.6 1.0
O B:HOH880 2.3 31.3 1.0
CD B:GLU60 2.7 17.1 1.0
O B:ACT802 2.8 44.9 1.0
OE1 B:GLU60 2.8 21.0 1.0
C B:ACT802 2.8 44.3 1.0
CD2 B:HIS54 2.9 16.7 1.0
CE1 B:HIS54 3.2 19.7 1.0
CG B:HIS54 4.1 14.6 1.0
CG B:GLU60 4.1 17.2 1.0
CA B:PRO56 4.2 13.6 1.0
ND1 B:HIS54 4.2 20.6 1.0
CH3 B:ACT802 4.3 44.3 1.0
N B:VAL57 4.3 13.9 1.0
CG2 B:VAL57 4.5 14.2 1.0
O B:LEU55 4.6 12.1 1.0
CB B:PRO56 4.6 13.3 1.0
C B:PRO56 4.7 14.2 1.0
O B:HOH913 4.9 44.0 1.0
O B:HOH894 4.9 30.1 1.0

Zinc binding site 8 out of 13 in 2pli

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Zinc binding site 8 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn710

b:13.4
occ:0.80
NE2 B:HIS80 2.0 6.9 1.0
OXT B:ACT801 2.1 27.1 1.0
O B:ACT801 2.1 24.6 1.0
OD2 B:ASP75 2.1 13.3 1.0
C B:ACT801 2.5 26.3 1.0
CE1 B:HIS80 2.9 10.3 1.0
CG B:ASP75 3.0 15.6 1.0
CD2 B:HIS80 3.1 9.4 1.0
OD1 B:ASP75 3.2 17.1 1.0
O B:HOH813 3.7 18.8 1.0
CH3 B:ACT801 4.0 28.1 1.0
ND1 B:HIS80 4.1 10.2 1.0
CG B:HIS80 4.2 9.2 1.0
O B:HOH918 4.2 36.0 1.0
CB B:ARG78 4.3 14.8 1.0
CB B:ASP75 4.4 17.7 1.0
NH2 B:ARG73 4.4 11.7 1.0
CG B:ARG78 4.7 17.5 1.0
O B:ARG78 4.8 14.6 1.0
N B:ARG78 4.8 15.8 1.0
NE B:ARG78 4.9 20.4 1.0

Zinc binding site 9 out of 13 in 2pli

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Zinc binding site 9 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn701

b:10.2
occ:1.00
OE2 B:GLU24 2.0 9.5 1.0
OD2 C:ASP7 2.0 7.5 1.0
ND1 C:HIS10 2.0 6.1 1.0
OD1 A:ASP7 2.1 4.7 1.0
OD2 A:ASP7 2.7 13.9 1.0
CG A:ASP7 2.7 12.4 1.0
CG C:ASP7 2.8 18.6 1.0
CE1 C:HIS10 2.9 4.2 1.0
CD B:GLU24 2.9 8.3 1.0
OD1 C:ASP7 3.0 27.8 1.0
CG C:HIS10 3.1 3.4 1.0
OE1 B:GLU24 3.2 7.4 1.0
CB C:HIS10 3.5 5.3 1.0
O A:HOH753 3.8 30.3 1.0
O B:HOH849 3.8 22.4 1.0
NE2 C:HIS10 4.1 6.7 1.0
CA C:HIS10 4.1 5.0 1.0
CB C:ASP7 4.2 18.2 1.0
CD2 C:HIS10 4.2 6.9 1.0
CB A:ASP7 4.2 11.3 1.0
OG A:SER5 4.3 18.9 1.0
CG B:GLU24 4.4 7.2 1.0
O A:HOH713 4.4 6.8 1.0
O A:HOH727 4.6 14.8 1.0
CB A:SER5 4.8 18.3 1.0
N A:ASP7 4.9 12.2 1.0
NH2 C:ARG18 4.9 6.6 1.0
CA A:ASP7 4.9 11.3 1.0
ND1 A:HIS10 5.0 9.3 1.0

Zinc binding site 10 out of 13 in 2pli

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Zinc binding site 10 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn713

b:15.2
occ:0.60
OE1 C:GLU60 2.1 13.4 1.0
NE2 C:HIS54 2.1 25.9 1.0
CD C:GLU60 2.9 14.1 1.0
CE1 C:HIS54 3.1 26.8 1.0
CD2 C:HIS54 3.1 25.8 1.0
OE2 C:GLU60 3.1 15.3 1.0
O C:HOH810 3.6 24.8 1.0
ND1 C:HIS54 4.2 26.6 1.0
CG C:HIS54 4.2 23.3 1.0
CG C:GLU60 4.2 17.8 1.0
O C:HOH823 4.5 21.4 1.0
CD2 C:LEU52 4.6 18.2 1.0
CD1 C:LEU52 4.9 20.5 1.0
CB C:GLU60 5.0 17.4 1.0

Zinc binding site 11 out of 13 in 2pli

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Zinc binding site 11 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 11 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn702

b:10.2
occ:1.00
OE2 A:GLU24 2.0 9.4 1.0
ND1 D:HIS10 2.0 6.3 1.0
OD2 B:ASP7 2.0 7.5 1.0
OD2 D:ASP7 2.1 8.9 1.0
CG D:ASP7 2.8 16.9 1.0
CD A:GLU24 2.9 6.5 1.0
CG B:ASP7 2.9 10.4 1.0
OD1 D:ASP7 3.0 23.6 1.0
CE1 D:HIS10 3.0 5.4 1.0
OE1 A:GLU24 3.0 3.0 1.0
CG D:HIS10 3.0 3.1 1.0
OD1 B:ASP7 3.1 11.9 1.0
CB D:HIS10 3.4 2.6 1.0
NE2 D:HIS10 4.1 5.2 1.0
CD2 D:HIS10 4.1 3.9 1.0
CA D:HIS10 4.2 3.0 1.0
CB D:ASP7 4.2 15.5 1.0
CB B:ASP7 4.3 11.9 1.0
CG A:GLU24 4.3 7.2 1.0
O A:HOH783 4.6 29.9 1.0
O B:HOH805 4.7 17.7 1.0
NH2 D:ARG18 4.7 6.3 1.0
O D:HOH820 4.8 14.9 1.0
O A:HOH720 4.9 11.4 1.0
N D:ASP7 5.0 17.9 1.0

Zinc binding site 12 out of 13 in 2pli

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Zinc binding site 12 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 12 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn711

b:10.7
occ:1.00
OE1 D:GLU35 2.0 7.8 1.0
OXT D:ACT801 2.0 21.9 1.0
CD D:GLU35 2.7 6.2 1.0
OE2 D:GLU35 2.8 5.6 1.0
C D:ACT801 3.1 25.6 1.0
CH3 D:ACT801 3.6 28.0 1.0
CG D:GLU35 4.2 6.2 1.0
O D:ACT801 4.3 26.8 1.0
O D:HOH829 4.7 32.1 1.0
O D:THR34 4.8 6.7 1.0

Zinc binding site 13 out of 13 in 2pli

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Zinc binding site 13 out of 13 in the Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 13 of Crystal Structure of Putative MG2+ and CO2+ Transporter(Corc) Associated Region From Neisseria Meningitidis MC58 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn712

b:41.6
occ:1.00
NE2 D:HIS80 2.1 19.5 1.0
O A:HOH774 2.1 27.4 1.0
OE2 A:GLU39 2.3 28.7 1.0
O A:HOH742 2.3 43.4 1.0
OD1 D:ASP75 2.4 20.5 1.0
OE1 A:GLU39 2.8 28.0 1.0
CD A:GLU39 2.9 27.8 1.0
CD2 D:HIS80 3.0 18.2 1.0
CE1 D:HIS80 3.1 16.5 1.0
CG D:ASP75 3.4 23.2 1.0
O A:HOH777 3.6 56.5 1.0
OD2 D:ASP75 3.7 25.3 1.0
CB D:ARG78 4.0 23.6 1.0
NE D:ARG78 4.1 30.7 1.0
CG D:HIS80 4.2 14.5 1.0
ND1 D:HIS80 4.2 2.0 1.0
CG A:GLU39 4.4 26.7 1.0
NH1 D:ARG78 4.6 31.9 1.0
NH2 D:ARG73 4.7 28.6 1.0
CB D:ASP75 4.7 22.1 1.0
CZ D:ARG78 4.9 31.7 1.0
CD D:ARG78 4.9 26.4 1.0
N D:ARG78 4.9 23.6 1.0
CA D:ARG78 5.0 22.9 1.0
CG D:ARG78 5.0 25.5 1.0

Reference:

B.Nocek, E.Duggan, M.Gu, A.Joachimiak. Structure of Putative MG2+ and CO2+ Transporter(Corc)Associated Region From Neisseria Meningitidis MC58. To Be Published.
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