Receptor
PDB id Resolution Class Description Source Keywords
1SZO 1.9 Å EC: 3.-.-.- CRYSTAL STRUCTURE ANALYSIS OF THE 6-OXO CAMPHOR HYDROLASE HIS122ALA MUTANT BOUND TO ITS NATURAL PRODUCT (2S,4S)- A LPHA-CAMPHOLINIC ACID RHODOCOCCUS SP. NCIMB 9784 ENZYME-PRODUCT COMPLEX HYDROLASE
Ref.: STRUCTURE OF 6-OXO CAMPHOR HYDROLASE H122A MUTANT BOUND TO ITS NATURAL PRODUCT, (2S,4S)-ALPHA-CAMPHOLINIC ACID: MUTANT STRUCTURE SUGGESTS AN ATYPICAL MODE OF TRANSITION STATE BINDING FOR A CROTONASE HOMOLOG. J.BIOL.CHEM. V. 279 31312
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:2001;
F:2002;
I:2003;
K:2004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CAX A:5001;
B:5002;
C:5003;
D:5004;
E:5005;
F:5006;
G:5007;
H:5008;
I:5009;
J:5010;
K:5011;
L:5012;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
186.248 C10 H18 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SZO 1.9 Å EC: 3.-.-.- CRYSTAL STRUCTURE ANALYSIS OF THE 6-OXO CAMPHOR HYDROLASE HIS122ALA MUTANT BOUND TO ITS NATURAL PRODUCT (2S,4S)- A LPHA-CAMPHOLINIC ACID RHODOCOCCUS SP. NCIMB 9784 ENZYME-PRODUCT COMPLEX HYDROLASE
Ref.: STRUCTURE OF 6-OXO CAMPHOR HYDROLASE H122A MUTANT BOUND TO ITS NATURAL PRODUCT, (2S,4S)-ALPHA-CAMPHOLINIC ACID: MUTANT STRUCTURE SUGGESTS AN ATYPICAL MODE OF TRANSITION STATE BINDING FOR A CROTONASE HOMOLOG. J.BIOL.CHEM. V. 279 31312
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1SZO - CAX C10 H18 O3 C[C@@H]1C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 1SZO - CAX C10 H18 O3 C[C@@H]1C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SZO - CAX C10 H18 O3 C[C@@H]1C(....
2 2J5S - KTA C8 H12 O3 C1C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CAX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 1szo.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5X8Q 82R 0.01877 0.40858 1.55642
2 5IXK 6EW 0.01366 0.41642 1.75439
3 1RP0 AHZ 0.03338 0.41032 1.94553
4 4QOM PYG 0.02195 0.40762 2.33463
5 4P53 NAI 0.04161 0.40157 2.33463
6 2YW2 ATP 0.02849 0.40103 2.33463
7 3UZO GLU 0.03008 0.40748 2.72374
8 1NQ7 ARL 0.0128 0.41813 2.86885
9 4S15 4D8 0.0149 0.41567 3.125
10 2J62 GSZ 0.03152 0.40324 3.50195
11 3V2U GLA 0.01742 0.40271 3.89105
12 1H0H 2MD 0.04542 0.40158 3.89105
13 3ZDS HMQ 0.0172 0.40081 3.89105
14 1J39 UPG 0.03962 0.40321 4.66926
15 1N9G NAP 0.01484 0.42261 5.05837
16 2Q8Z NUP 0.01679 0.41541 5.05837
17 2OAZ I96 0.02886 0.40171 5.44747
18 3KFC 61X 0.03848 0.40805 5.5336
19 2QJY SMA 0.03557 0.40203 6.22568
20 5EFW FMN 0.02287 0.40303 7.58621
21 4NG2 OHN 0.01622 0.41845 7.9646
22 1DQS NAD 0.03456 0.41819 8.94942
23 2IBZ SMA 0.03364 0.40097 8.94942
24 5BVB DOG 0.02038 0.40035 9.84848
25 1GUZ NAD 0.04376 0.40277 11.284
26 2BRY FAD 0.04968 0.40288 11.6732
Pocket No.: 2; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1szo.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1szo.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 1szo.bio4) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UVC STE 0.009552 0.43646 None
2 3HAZ NAD 0.02569 0.41619 3.11284
3 2BW7 APC 0.04751 0.41832 3.65297
4 4IAE 1DX 0.03908 0.40658 3.7037
5 2IFB PLM 0.01612 0.41753 6.10687
6 5K7H IVC 0.03041 0.40092 8.65801
7 3P7N FMN 0.02486 0.40264 9.33852
8 3STK PLM 0.04195 0.40791 11.3636
Pocket No.: 5; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1szo.bio4) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1szo.bio4) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: 7
This union binding pocket(no: 7) in the query (biounit: 1szo.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VPV PLM 0.03755 0.40286 1.55642
2 1HG4 LPP 0.03547 0.40453 2.50896
3 4JWF SAH 0.02456 0.40511 2.76498
4 3P3G UKW 0.04489 0.40027 3.11284
5 3P3G 3P3 0.04489 0.40027 3.11284
6 1DBT U5P 0.02517 0.40076 5.85774
7 1LSH PLD 0.0194 0.42069 8.94942
Pocket No.: 8; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1szo.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1szo.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: 5
This union binding pocket(no: 10) in the query (biounit: 1szo.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R40 EPH 0.0321 0.40697 3.11284
2 5TPR NAD 0.04886 0.40157 5.83658
3 5DKK FMN 0.02761 0.40042 7.58621
4 4V24 GYR 0.04368 0.40425 7.7821
5 1EZV SMA 0.04073 0.40059 8.94942
Pocket No.: 11; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1szo.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1szo.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1szo.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1szo.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1szo.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1szo.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1szo.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1szo.bio5) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 1szo.bio6) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 1szo.bio6) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 1szo.bio6) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 1szo.bio6) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 1szo.bio6) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 1SZO; Ligand: CAX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 1szo.bio6) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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