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Zinc in PDB 2i2r: Crystal Structure of the KCHIP1/KV4.3 T1 Complex

Protein crystallography data

The structure of Crystal Structure of the KCHIP1/KV4.3 T1 Complex, PDB code: 2i2r was solved by F.Findeisen, M.Pioletti, D.L.Minor Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.29 / 3.35
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 93.151, 98.105, 97.783, 91.00, 112.56, 111.77
R / Rfree (%) 23.7 / 26.8

Other elements in 2i2r:

The structure of Crystal Structure of the KCHIP1/KV4.3 T1 Complex also contains other interesting chemical elements:

Calcium (Ca) 16 atoms
Sodium (Na) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex (pdb code 2i2r). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex, PDB code: 2i2r:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 2i2r

Go back to Zinc Binding Sites List in 2i2r
Zinc binding site 1 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:0.6
occ:1.00
 SG A:CYS132 1.9 0.3 1.0
SG A:CYS131 2.2 0.5 1.0
ND1 A:HIS104 2.4 0.8 1.0
SG B:CYS110 2.6 0.6 1.0
CB A:CYS131 3.2 0.3 1.0
CE1 A:HIS104 3.2 0.7 1.0
CB B:CYS110 3.3 0.3 1.0
CB A:CYS132 3.4 0.1 1.0
CG A:HIS104 3.5 1.0 1.0
N A:CYS132 3.8 0.1 1.0
CB A:HIS104 3.8 0.7 1.0
C A:CYS131 3.9 0.0 1.0
CA A:CYS132 4.1 0.1 1.0
CA A:CYS131 4.1 0.1 1.0
CA A:HIS104 4.2 0.9 1.0
NE2 A:HIS104 4.4 0.5 1.0
O A:CYS131 4.5 0.8 1.0
CD2 A:HIS104 4.5 0.9 1.0
N A:TYR105 4.8 0.7 1.0
CA B:CYS110 4.8 0.4 1.0
N A:CYS131 4.9 0.4 1.0
CB B:SER112 5.0 0.2 1.0

Zinc binding site 2 out of 8 in 2i2r

Go back to Zinc Binding Sites List in 2i2r
Zinc binding site 2 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn602

b:0.3
occ:1.00
 SG B:CYS132 2.0 0.5 1.0
ND1 B:HIS104 2.2 0.9 1.0
SG C:CYS110 2.4 0.4 1.0
SG B:CYS131 2.4 0.8 1.0
CE1 B:HIS104 3.0 0.8 1.0
CB C:CYS110 3.1 0.3 1.0
CG B:HIS104 3.3 0.1 1.0
CB B:CYS131 3.4 0.2 1.0
CB B:CYS132 3.5 0.2 1.0
CB B:HIS104 3.7 0.7 1.0
N B:CYS132 4.0 0.1 1.0
C B:CYS131 4.1 0.0 1.0
CA B:HIS104 4.2 1.0 1.0
NE2 B:HIS104 4.2 0.5 1.0
CA B:CYS132 4.3 0.1 1.0
CA B:CYS131 4.3 0.1 1.0
CD2 B:HIS104 4.3 0.8 1.0
CA C:CYS110 4.6 0.4 1.0
O B:CYS131 4.7 0.9 1.0
N B:TYR105 4.8 0.8 1.0
CB C:SER112 4.8 0.2 1.0
N C:ALA113 4.8 0.5 1.0
CB C:ALA113 4.9 0.8 1.0
N B:CYS131 5.0 0.5 1.0

Zinc binding site 3 out of 8 in 2i2r

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Zinc binding site 3 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn603

b:0.7
occ:1.00
 SG C:CYS132 2.0 0.5 1.0
ND1 C:HIS104 2.1 0.8 1.0
SG C:CYS131 2.2 0.8 1.0
SG D:CYS110 2.6 0.4 1.0
CE1 C:HIS104 2.9 0.8 1.0
CG C:HIS104 3.2 0.0 1.0
CB D:CYS110 3.4 0.3 1.0
CB C:CYS131 3.4 0.2 1.0
CB C:CYS132 3.5 0.2 1.0
CB C:HIS104 3.7 0.8 1.0
N C:CYS132 3.9 0.0 1.0
CA C:HIS104 4.1 0.0 1.0
C C:CYS131 4.1 0.0 1.0
NE2 C:HIS104 4.1 0.5 1.0
CA C:CYS132 4.2 0.1 1.0
CD2 C:HIS104 4.3 0.8 1.0
CA C:CYS131 4.3 0.1 1.0
O C:CYS131 4.7 1.0 1.0
N C:TYR105 4.8 0.8 1.0
CB D:SER112 4.8 0.3 1.0
CA D:CYS110 4.9 0.4 1.0
N D:ALA113 4.9 0.4 1.0
C C:HIS104 5.0 0.5 1.0
N C:CYS131 5.0 0.4 1.0

Zinc binding site 4 out of 8 in 2i2r

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Zinc binding site 4 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn604

b:0.6
occ:1.00
 SG D:CYS132 2.0 0.5 1.0
ND1 D:HIS104 2.1 0.8 1.0
SG A:CYS110 2.3 0.4 1.0
SG D:CYS131 2.4 0.6 1.0
CE1 D:HIS104 2.9 0.8 1.0
CB A:CYS110 3.1 0.3 1.0
CG D:HIS104 3.2 0.0 1.0
CB D:CYS131 3.4 0.2 1.0
CB D:CYS132 3.5 0.1 1.0
CB D:HIS104 3.6 0.7 1.0
N D:CYS132 4.0 0.1 1.0
NE2 D:HIS104 4.1 0.6 1.0
CA D:HIS104 4.1 0.9 1.0
C D:CYS131 4.2 0.1 1.0
CD2 D:HIS104 4.2 0.9 1.0
CA D:CYS132 4.3 0.1 1.0
CA D:CYS131 4.4 0.2 1.0
CA A:CYS110 4.6 0.5 1.0
N A:ALA113 4.7 0.5 1.0
CB A:SER112 4.7 0.2 1.0
N D:TYR105 4.8 0.8 1.0
O D:CYS131 4.8 1.0 1.0
CB A:ALA113 4.8 0.7 1.0
C D:HIS104 5.0 0.4 1.0

Zinc binding site 5 out of 8 in 2i2r

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Zinc binding site 5 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Zn605

b:0.7
occ:1.00
 SG I:CYS132 1.9 0.6 1.0
ND1 I:HIS104 2.1 0.9 1.0
SG I:CYS131 2.4 0.6 1.0
SG J:CYS110 2.5 0.6 1.0
CE1 I:HIS104 2.9 0.8 1.0
CG I:HIS104 3.2 0.1 1.0
CB J:CYS110 3.3 0.3 1.0
CB I:CYS131 3.4 0.2 1.0
CB I:CYS132 3.5 0.2 1.0
CB I:HIS104 3.6 0.7 1.0
N I:CYS132 4.0 0.1 1.0
CA I:HIS104 4.1 1.0 1.0
NE2 I:HIS104 4.1 0.7 1.0
C I:CYS131 4.2 0.1 1.0
CD2 I:HIS104 4.3 0.8 1.0
CA I:CYS132 4.3 0.1 1.0
CA I:CYS131 4.4 0.1 1.0
N I:TYR105 4.7 0.7 1.0
N J:ALA113 4.8 0.5 1.0
O I:CYS131 4.8 1.0 1.0
CB J:SER112 4.8 0.2 1.0
CA J:CYS110 4.8 0.4 1.0
CB J:ALA113 4.9 0.8 1.0
C I:HIS104 5.0 0.4 1.0

Zinc binding site 6 out of 8 in 2i2r

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Zinc binding site 6 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Zn606

b:0.1
occ:1.00
 SG J:CYS132 1.9 0.3 1.0
ND1 J:HIS104 2.2 0.8 1.0
SG J:CYS131 2.4 0.9 1.0
SG K:CYS110 2.4 0.6 1.0
CE1 J:HIS104 3.0 0.7 1.0
CB K:CYS110 3.2 0.3 1.0
CG J:HIS104 3.3 0.1 1.0
CB J:CYS132 3.4 0.1 1.0
CB J:CYS131 3.4 0.2 1.0
CB J:HIS104 3.7 0.7 1.0
N J:CYS132 3.9 0.1 1.0
CA J:HIS104 4.1 1.0 1.0
C J:CYS131 4.1 0.1 1.0
CA J:CYS132 4.1 0.1 1.0
NE2 J:HIS104 4.2 0.7 1.0
CD2 J:HIS104 4.3 0.9 1.0
CA J:CYS131 4.4 0.2 1.0
N J:TYR105 4.6 0.8 1.0
CA K:CYS110 4.6 0.4 1.0
O J:CYS131 4.7 0.9 1.0
C J:HIS104 4.9 0.5 1.0
CB K:SER112 4.9 0.3 1.0

Zinc binding site 7 out of 8 in 2i2r

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Zinc binding site 7 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Zn607

b:0.4
occ:1.00
 SG K:CYS132 2.0 0.5 1.0
ND1 K:HIS104 2.2 0.8 1.0
SG L:CYS110 2.2 0.7 1.0
SG K:CYS131 2.6 0.7 1.0
CB L:CYS110 2.8 0.4 1.0
CE1 K:HIS104 3.0 0.8 1.0
CG K:HIS104 3.2 0.0 1.0
CB K:CYS131 3.5 0.2 1.0
CB K:CYS132 3.6 0.1 1.0
CB K:HIS104 3.7 0.8 1.0
N K:CYS132 4.1 0.1 1.0
CA K:HIS104 4.1 0.0 1.0
NE2 K:HIS104 4.2 0.6 1.0
C K:CYS131 4.3 0.1 1.0
CD2 K:HIS104 4.3 0.9 1.0
CA L:CYS110 4.3 0.5 1.0
CA K:CYS132 4.3 0.1 1.0
CA K:CYS131 4.5 0.1 1.0
N K:TYR105 4.7 0.8 1.0
N L:ALA113 4.8 0.5 1.0
CB L:ALA113 4.8 0.8 1.0
O K:CYS131 4.8 0.9 1.0
CB L:SER112 5.0 0.3 1.0
C K:HIS104 5.0 0.5 1.0

Zinc binding site 8 out of 8 in 2i2r

Go back to Zinc Binding Sites List in 2i2r
Zinc binding site 8 out of 8 in the Crystal Structure of the KCHIP1/KV4.3 T1 Complex


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 the KCHIP1/KV4.3 T1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Zn608

b:0.9
occ:1.00
 ND1 L:HIS104 2.1 0.7 1.0
SG L:CYS132 2.2 0.6 1.0
SG I:CYS110 2.3 0.4 1.0
SG L:CYS131 2.5 0.5 1.0
CE1 L:HIS104 2.9 0.7 1.0
CB I:CYS110 3.1 0.2 1.0
CG L:HIS104 3.2 1.0 1.0
CB L:CYS131 3.4 0.2 1.0
CB L:HIS104 3.7 0.7 1.0
CB L:CYS132 3.7 0.2 1.0
NE2 L:HIS104 4.1 0.5 1.0
N L:CYS132 4.1 0.1 1.0
CA L:HIS104 4.2 0.9 1.0
CD2 L:HIS104 4.2 0.9 1.0
C L:CYS131 4.3 0.1 1.0
CA L:CYS132 4.4 0.2 1.0
CA L:CYS131 4.4 0.2 1.0
CA I:CYS110 4.5 0.3 1.0
N I:ALA113 4.6 0.4 1.0
CB I:ALA113 4.7 0.8 1.0
CB I:SER112 4.7 0.2 1.0
O L:CYS131 4.8 0.9 1.0
N L:TYR105 4.9 0.8 1.0

Reference:

M.Pioletti, F.Findeisen, G.L.Hura, D.L.Minor Jr.. Three-Dimensional Structure of the KCHIP1-KV4.3 T1 Complex Reveals A Cross-Shaped Octamer Nat.Struct.Mol.Biol. V. 13 987 2006.
ISSN: ISSN 1545-9993
PubMed: 17057713
DOI: 10.1038/NSMB1164
Page generated: Thu Oct 17 00:47:20 2024

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