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Chlorine in PDB 1wvv: Crystal Structure of Chitinase C Mutant E147Q

Enzymatic activity of Crystal Structure of Chitinase C Mutant E147Q

All present enzymatic activity of Crystal Structure of Chitinase C Mutant E147Q:
3.2.1.14;

Protein crystallography data

The structure of Crystal Structure of Chitinase C Mutant E147Q, PDB code: 1wvv was solved by Y.Kezuka, T.Watanabe, T.Nonaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.80 / 2.00
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 127.902, 127.902, 127.902, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.8

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Chitinase C Mutant E147Q (pdb code 1wvv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of Chitinase C Mutant E147Q, PDB code: 1wvv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 1wvv

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Chlorine binding site 1 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:26.9
occ:1.00
 OG A:SER145 3.0 21.6 1.0
O B:HOH655 3.1 39.9 1.0
O A:HOH538 3.2 33.8 1.0
O B:HOH540 3.2 25.5 1.0
O A:SER145 3.4 20.7 1.0
C A:SER145 3.5 20.9 1.0
NE2 B:GLN279 3.6 31.9 1.0
N A:HIS146 3.6 20.9 1.0
CB A:SER145 3.7 20.3 1.0
CA A:HIS146 3.7 21.4 1.0
CE A:LYS276 3.8 28.0 1.0
O A:HOH657 4.0 48.4 1.0
CG A:LYS276 4.1 26.7 1.0
CA A:SER145 4.2 20.6 1.0
OE1 B:GLN279 4.2 34.4 1.0
CD B:GLN279 4.4 30.0 1.0
CD A:LYS276 4.4 25.2 1.0
CB A:HIS146 4.5 21.5 1.0
CB A:LYS276 4.6 25.7 1.0
N A:GLY150 4.6 18.8 1.0
ND1 A:HIS146 4.7 22.6 1.0
O A:HOH543 4.7 25.1 1.0
NZ A:LYS276 4.7 29.9 1.0
O A:HOH533 4.7 22.7 1.0
C A:HIS146 4.9 20.8 1.0
O A:ALA142 4.9 21.8 1.0

Chlorine binding site 2 out of 13 in 1wvv

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Chlorine binding site 2 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:35.5
occ:1.00
 O A:HOH578 3.0 28.0 1.0
NZ A:LYS222 3.1 28.5 1.0
CE A:LYS222 3.5 29.5 1.0
CG2 A:VAL219 3.9 25.0 1.0
CB A:ALA218 4.0 24.9 1.0
CD1 A:ILE204 4.4 26.6 1.0
N A:VAL219 4.4 22.9 1.0
C A:ALA218 4.5 23.4 1.0
O A:ALA218 4.7 23.9 1.0
CA A:VAL219 4.8 22.4 1.0
CD A:LYS222 4.9 26.0 1.0
CA A:ALA218 4.9 23.8 1.0

Chlorine binding site 3 out of 13 in 1wvv

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Chlorine binding site 3 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:39.0
occ:1.00
 O A:HOH603 3.0 36.5 1.0
N A:ALA123 3.2 32.6 1.0
C A:TYR121 3.3 32.3 1.0
CA A:TYR121 3.4 32.4 1.0
N A:PRO122 3.4 33.1 1.0
CD A:PRO122 3.5 33.1 1.0
CB A:ALA123 3.6 32.5 1.0
O A:TYR121 3.7 31.4 1.0
CB A:TYR121 3.8 31.8 1.0
CD1 A:TYR121 3.8 31.8 1.0
CA A:ALA123 3.9 31.5 1.0
N A:PHE124 4.1 30.4 1.0
C A:PRO122 4.2 32.0 1.0
CG A:TYR121 4.3 31.7 1.0
CG A:PRO122 4.3 34.8 1.0
CA A:PRO122 4.3 32.9 1.0
C A:ALA123 4.4 31.0 1.0
N A:TYR121 4.8 32.0 1.0
OD1 A:ASN229 4.8 29.7 1.0
CG A:ASN229 4.9 29.5 1.0
CE1 A:TYR121 4.9 32.1 1.0
O A:ALA120 5.0 30.2 1.0

Chlorine binding site 4 out of 13 in 1wvv

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Chlorine binding site 4 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:58.8
occ:1.00
 NH2 A:ARG105 2.7 31.2 0.5
N A:TYR111 3.1 29.3 1.0
O A:HOH523 3.1 26.8 1.0
CZ A:ARG105 3.5 29.2 0.5
NE A:ARG105 3.6 31.5 0.5
CA A:THR110 3.7 27.4 1.0
CB A:TYR111 3.7 30.3 1.0
CB A:THR110 3.8 27.9 1.0
OD1 A:ASN99 3.9 45.5 1.0
C A:THR110 3.9 28.5 1.0
CA A:TYR111 4.0 30.2 1.0
NE A:ARG105 4.1 28.4 0.5
NH2 A:ARG105 4.1 32.7 0.5
OE2 A:GLU95 4.3 45.3 1.0
CG2 A:THR110 4.3 28.8 1.0
CE2 A:PHE98 4.6 31.0 1.0
CZ A:ARG105 4.6 30.8 0.5
NH1 A:ARG105 4.6 24.5 0.5
CD2 A:PHE98 4.7 29.7 1.0
CG A:ASN99 4.8 38.8 1.0
N A:LYS112 4.9 31.6 1.0
ND2 A:ASN99 4.9 38.2 1.0
CD A:ARG105 4.9 29.7 0.5
OG1 A:THR110 5.0 27.4 1.0
CG A:GLU95 5.0 38.1 1.0
CD A:GLU95 5.0 40.6 1.0
O A:TYR109 5.0 24.2 1.0

Chlorine binding site 5 out of 13 in 1wvv

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Chlorine binding site 5 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:35.4
occ:1.00
 NZ A:LYS155 3.1 25.6 1.0
O A:HOH614 3.6 38.8 1.0
CE A:LYS155 3.6 27.0 1.0
O A:HOH563 4.6 30.2 1.0
O A:HOH634 4.8 37.8 1.0
OE2 A:GLU214 5.0 22.9 1.0

Chlorine binding site 6 out of 13 in 1wvv

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Chlorine binding site 6 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl511

b:39.0
occ:1.00
 N A:GLN178 3.1 24.1 1.0
CB A:GLN178 3.6 27.2 1.0
CA A:GLY177 3.8 22.4 1.0
C A:GLY177 3.9 23.4 1.0
CA A:GLN178 4.0 25.2 1.0
O A:HOH673 4.3 44.6 1.0
O A:HOH670 4.8 53.5 1.0
N A:GLY177 5.0 22.7 1.0
CG A:GLN178 5.0 34.2 1.0

Chlorine binding site 7 out of 13 in 1wvv

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Chlorine binding site 7 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl512

b:31.9
occ:1.00
 O A:HOH647 3.1 41.3 1.0
O B:HOH566 3.2 32.5 1.0
ND2 A:ASN266 3.3 28.7 1.0
ND2 B:ASN266 3.3 28.4 1.0
CG B:GLN269 3.7 25.0 1.0
CB A:ASN266 3.8 27.6 1.0
CB A:LEU260 3.9 36.7 1.0
NE2 B:GLN269 4.0 28.0 1.0
CG A:ASN266 4.0 29.7 1.0
O A:LEU260 4.0 34.3 1.0
CD B:GLN269 4.0 28.8 1.0
C A:LEU260 4.3 34.2 1.0
CG B:ASN266 4.4 28.1 1.0
OD1 B:ASN266 4.5 29.4 1.0
CG A:GLU261 4.6 32.3 1.0
CA A:LEU260 4.6 35.3 1.0
CG A:LEU260 4.8 39.4 1.0
N A:GLU261 4.8 32.1 1.0
O A:GLY265 4.8 29.3 1.0
OE1 B:GLN269 4.9 29.6 1.0
O A:HOH624 4.9 43.2 1.0
CD2 A:LEU260 4.9 42.4 1.0
CD1 A:LEU260 4.9 41.6 1.0
CA A:GLU261 4.9 31.6 1.0
O B:HOH617 5.0 46.4 1.0

Chlorine binding site 8 out of 13 in 1wvv

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Chlorine binding site 8 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:29.8
occ:1.00
 N B:ILE154 3.1 22.8 1.0
O B:HOH622 3.1 47.9 1.0
O B:HOH558 3.1 31.9 1.0
O B:HOH657 3.2 35.5 1.0
N B:LYS155 3.5 24.5 1.0
CB B:ILE154 3.8 23.9 1.0
CA B:ILE154 3.8 24.4 1.0
CG B:LYS155 3.9 29.6 1.0
CA B:TYR153 4.0 23.2 1.0
C B:TYR153 4.0 22.4 1.0
CG1 B:ILE154 4.1 24.6 1.0
C B:ILE154 4.2 24.3 1.0
O B:LYS155 4.2 25.1 1.0
CD1 B:TYR153 4.2 26.9 1.0
CA B:LYS155 4.4 26.5 1.0
CB B:TYR153 4.5 24.5 1.0
CB B:LYS155 4.6 27.0 1.0
CD1 B:ILE154 4.6 27.0 1.0
O B:PHE152 4.6 21.4 1.0
C B:LYS155 4.7 25.8 1.0
CD B:LYS155 4.8 31.9 1.0
CG B:TYR153 4.9 25.9 1.0
CE B:LYS155 5.0 36.2 1.0

Chlorine binding site 9 out of 13 in 1wvv

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Chlorine binding site 9 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:29.4
occ:1.00
 O B:HOH567 3.1 29.8 1.0
O B:HOH538 3.1 26.6 1.0
N B:TYR111 3.2 23.4 1.0
NH2 B:ARG105 3.2 30.0 1.0
O B:HOH568 3.4 25.7 1.0
CA B:THR110 3.6 23.5 1.0
CB B:THR110 3.9 23.4 1.0
C B:THR110 3.9 23.1 1.0
CB B:TYR111 4.1 24.1 1.0
CG2 B:THR110 4.2 24.7 1.0
CZ B:ARG105 4.3 30.4 1.0
CA B:TYR111 4.3 23.1 1.0
NE B:ARG105 4.4 27.4 1.0
O B:TYR109 4.7 24.9 1.0
CE2 B:PHE98 4.8 24.2 1.0
N B:THR110 4.8 23.3 1.0
OE2 B:GLU95 4.9 35.6 1.0
O B:HOH597 4.9 42.9 1.0
N B:LYS112 5.0 24.4 1.0

Chlorine binding site 10 out of 13 in 1wvv

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Chlorine binding site 10 out of 13 in the Crystal Structure of Chitinase C Mutant E147Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Chitinase C Mutant E147Q within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:46.9
occ:1.00
 O B:HOH518 3.0 22.4 1.0
O A:HOH595 3.3 40.6 1.0
O A:HOH543 3.3 25.1 1.0
O B:HOH543 3.4 26.1 1.0
ND2 A:ASN275 3.5 23.6 1.0
CA B:GLY150 3.8 22.2 1.0
ND2 B:ASN104 3.9 36.5 1.0
CB A:ASN275 4.0 25.5 1.0
CG A:ASN275 4.2 24.7 1.0
CB B:ASN104 4.5 27.4 1.0
O B:HOH655 4.5 39.9 1.0
O B:GLY149 4.5 22.9 1.0
N B:GLY150 4.6 22.0 1.0
O B:GLY150 4.6 20.7 1.0
OE1 A:GLN279 4.6 43.3 1.0
NZ B:LYS276 4.7 27.0 1.0
CD B:PRO103 4.7 26.7 1.0
CG B:ASN104 4.7 29.6 1.0
C B:GLY150 4.7 22.5 1.0
O B:MET101 4.8 25.6 1.0
C B:GLY149 4.9 22.1 1.0
CG B:PRO103 4.9 27.1 1.0

Reference:

Y.Kezuka, M.Ohishi, Y.Itoh, J.Watanabe, M.Mitsutomi, T.Watanabe, T.Nonaka. Structural Studies of A Two-Domain Chitinase From Streptomyces Griseus HUT6037 J.Mol.Biol. V. 358 472 2006.
ISSN: ISSN 0022-2836
PubMed: 16516924
DOI: 10.1016/J.JMB.2006.02.013
Page generated: Sat Dec 12 08:54:10 2020

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