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Iodine in PDB 3mcw: Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution

Protein crystallography data

The structure of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution, PDB code: 3mcw was solved by Joint Center For Structural Genomics, Joint Center For Structuralgenomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.06 / 1.06
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 92.697, 60.850, 71.960, 90.00, 102.97, 90.00
R / Rfree (%) 13.1 / 15.1

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution (pdb code 3mcw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 10 binding sites of Iodine where determined in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution, PDB code: 3mcw:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 10 in 3mcw

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Iodine binding site 1 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I198

b:9.9
occ:0.50
 NE2 A:GLN45 1.7 13.3 0.5
CD A:GLN45 2.8 12.1 0.5
OE1 A:GLN45 3.4 6.7 0.5
NH2 A:ARG84 3.5 15.5 1.0
NH1 A:ARG84 3.6 13.9 1.0
OE1 A:GLN45 3.7 8.5 0.5
O A:HOH324 3.9 29.6 1.0
CG A:GLN45 4.0 11.5 0.5
CZ A:ARG84 4.1 12.9 1.0
CG A:GLN45 4.3 7.2 0.5
CD A:GLN45 4.4 7.5 0.5
CB A:GLN45 5.0 8.7 0.5
O A:HOH363 5.0 26.8 1.0

Iodine binding site 2 out of 10 in 3mcw

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Iodine binding site 2 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I199

b:17.2
occ:0.43
 O A:HOH317 2.7 25.5 1.0
CB A:ALA167 3.8 7.8 1.0
O A:HOH405 3.9 29.2 1.0
CD1 B:TRP155 4.1 13.4 1.0
CA A:ALA167 4.1 6.1 1.0
CD2 A:HIS166 4.1 7.1 1.0
CB B:TRP155 4.2 9.8 1.0
CB B:HIS156 4.4 14.2 1.0
N B:HIS156 4.4 9.7 1.0
N A:ALA167 4.5 5.9 1.0
CD1 A:LEU170 4.5 8.6 1.0
CG B:TRP155 4.6 11.9 1.0
C B:TRP155 4.6 9.3 1.0
O A:ASP163 4.7 6.7 1.0
CA B:HIS156 4.7 11.7 1.0
O B:TRP155 4.9 12.6 1.0
NE2 A:HIS166 4.9 7.4 1.0
O B:HOH456 4.9 31.6 1.0
OE1 A:GLU144 5.0 8.8 1.0

Iodine binding site 3 out of 10 in 3mcw

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Iodine binding site 3 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I200

b:18.3
occ:0.35
 O A:HOH481 2.9 33.1 1.0
O A:HOH232 3.3 19.5 1.0
OG1 A:THR153 3.5 10.9 1.0
N A:THR153 3.5 7.2 1.0
O A:HOH371 3.8 13.8 0.5
CB A:THR153 3.9 8.3 1.0
O A:HOH291 4.1 8.5 0.2
CA A:LYS152 4.3 6.8 0.5
CA A:THR153 4.3 7.1 1.0
CA A:LYS152 4.4 6.8 0.5
C A:LYS152 4.4 7.2 1.0
CG A:LYS152 4.4 9.8 0.5
O A:HOH371 4.7 14.5 0.5
NH1 A:ARG159 4.9 11.5 0.5
CB A:LYS152 5.0 7.9 0.5

Iodine binding site 4 out of 10 in 3mcw

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Iodine binding site 4 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I201

b:17.8
occ:0.20
 O A:HOH276 3.5 17.4 1.0
O A:HOH490 3.5 21.1 1.0
O B:HOH369 3.7 25.2 1.0
I B:IOD198 3.8 16.8 0.2
CE A:MSE132 3.9 8.5 0.6
CG1 A:ILE99 4.1 11.6 1.0
CD2 B:LEU136 4.4 11.3 1.0
O A:PHE98 4.6 10.4 1.0
SE A:MSE132 4.7 7.9 0.3
CA A:ILE99 4.8 9.0 1.0
CE B:MSE132 4.8 9.9 0.7
CD1 A:ILE99 5.0 12.7 1.0
C A:PHE98 5.0 8.2 1.0

Iodine binding site 5 out of 10 in 3mcw

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Iodine binding site 5 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:13.9
occ:0.50
 O A:HOH462 3.1 28.6 1.0
NE A:ARG159 3.5 10.6 0.5
CD A:ARG159 3.8 10.0 0.5
O A:HOH370 4.3 18.8 1.0
CD A:ARG159 4.4 12.3 0.5
CB A:ARG159 4.5 8.9 0.5
CZ A:ARG159 4.6 10.0 0.5
CB A:ARG159 4.7 9.3 0.5
CG A:ARG159 4.8 10.2 0.5
NH1 A:ARG159 4.8 12.7 0.5
NE A:ARG159 4.8 13.4 0.5
O1 A:EDO205 4.9 25.3 1.0

Iodine binding site 6 out of 10 in 3mcw

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Iodine binding site 6 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I203

b:32.0
occ:0.20
 O A:HOH300 3.5 23.8 1.0
CB A:LYS11 3.9 12.5 1.0
CD2 A:LEU52 4.0 14.0 1.0
CD A:PRO53 4.0 8.8 1.0
O A:GLY51 4.0 12.3 1.0
O A:HOH275 4.4 32.0 1.0
O A:ASP10 4.4 17.1 1.0
CA A:LEU52 4.5 8.3 1.0
CG A:PRO53 4.5 10.5 1.0
CA A:LYS11 4.5 10.4 1.0
N A:PRO53 4.9 7.5 1.0
C A:GLY51 4.9 9.8 1.0

Iodine binding site 7 out of 10 in 3mcw

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Iodine binding site 7 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I198

b:16.8
occ:0.20
 O B:HOH247 3.5 12.8 0.5
O A:HOH401 3.5 23.6 1.0
O B:HOH285 3.5 18.2 1.0
I A:IOD201 3.8 17.8 0.2
O B:HOH247 3.9 20.9 0.5
CE B:MSE132 3.9 9.9 0.7
CG1 B:ILE99 4.2 12.2 1.0
CD2 A:LEU136 4.4 10.2 1.0
O B:PHE98 4.5 11.5 1.0
O B:HOH294 4.6 19.5 0.5
SE B:MSE132 4.6 8.3 0.2
CA B:ILE99 4.8 8.8 1.0
CE A:MSE132 4.8 8.5 0.6
CD1 B:ILE99 5.0 12.7 1.0
C B:PHE98 5.0 8.8 1.0

Iodine binding site 8 out of 10 in 3mcw

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Iodine binding site 8 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I199

b:15.4
occ:0.20
 O B:HOH493 3.5 9.2 1.0
O B:HOH261 3.5 11.9 1.0
ND2 B:ASN124 3.8 10.2 1.0
OG B:SER121 4.0 9.3 1.0
O B:HOH471 4.1 39.6 1.0
CB B:SER121 4.1 7.1 1.0
CZ3 B:TRP28 4.2 24.0 1.0
CB B:ASN124 4.3 7.2 1.0
CE2 B:PHE150 4.5 13.0 1.0
CE3 B:TRP28 4.6 19.7 1.0
CG B:ASN124 4.6 8.3 1.0
CD2 B:PHE150 4.7 10.2 1.0
CH2 B:TRP28 4.9 24.6 1.0
O A:HOH396 4.9 22.6 1.0

Iodine binding site 9 out of 10 in 3mcw

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Iodine binding site 9 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I200

b:14.1
occ:0.30
 NE2 B:GLN45 3.4 26.3 1.0
O B:HOH383 3.6 14.4 1.0
NH2 B:ARG84 3.6 17.4 0.5
NH1 B:ARG84 3.8 14.9 0.5
CZ B:ARG84 4.2 14.3 0.5
CD B:GLN45 4.2 20.8 1.0
CG B:GLN45 4.3 14.5 1.0

Iodine binding site 10 out of 10 in 3mcw

Go back to Iodine Binding Sites List in 3mcw
Iodine binding site 10 out of 10 in the Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of An A Putative Hydrolase of the Isochorismatase Family (CV_1320) From Chromobacterium Violaceum Atcc 12472 at 1.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I201

b:14.2
occ:0.30
 OG1 B:THR153 3.4 10.7 1.0
O B:HOH227 3.8 19.6 1.0
N B:THR153 3.9 7.0 1.0
CZ B:ARG159 3.9 10.8 1.0
NH1 B:ARG159 4.0 12.4 1.0
O B:HOH305 4.1 16.1 1.0
NH2 B:ARG159 4.1 10.1 1.0
C B:LYS152 4.2 6.9 1.0
CA B:LYS152 4.2 7.5 1.0
N B:LYS152 4.2 6.8 1.0
CG B:ARG159 4.2 14.3 1.0
NE B:ARG159 4.3 14.4 1.0
CB B:ASP151 4.3 7.8 1.0
C B:ASP151 4.3 6.8 1.0
O B:ASP151 4.3 7.1 1.0
O B:HOH308 4.4 16.7 1.0
CB B:THR153 4.6 8.7 1.0
CA B:THR153 4.6 7.4 1.0
CD B:ARG159 4.8 13.5 1.0
CB B:ARG159 4.8 11.5 1.0
O B:LYS152 4.9 8.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics, Joint Center For Structuralgenomics (Jcsg). N/A N/A.
Page generated: Sun Aug 11 15:45:44 2024

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