Receptor
PDB id Resolution Class Description Source Keywords
1YIQ 2.2 Å EC: 1.1.99.- MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIG FROM P SEUDOMONAS PUTIDA HK5. COMPARIISON TO THE OTHER QU INOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIB FOUND IN THE SAM E MICROORGANISM. PSEUDOMONAS PUTIDA QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADH-IIG FROM PSEUDOMONAS PUTIDA HK5 J.MOL.BIOL. V. 352 91 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:802;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
HEM A:901;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PGR A:803;
A:804;
A:805;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
76.094 C3 H8 O2 C[C@H...
PQQ A:801;
Valid;
none;
submit data
330.206 C14 H6 N2 O8 c1c2c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YIQ 2.2 Å EC: 1.1.99.- MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIG FROM P SEUDOMONAS PUTIDA HK5. COMPARIISON TO THE OTHER QU INOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADHIIB FOUND IN THE SAM E MICROORGANISM. PSEUDOMONAS PUTIDA QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ELECTRON TRANSFER OXIDOREDUCTASE
Ref.: MOLECULAR CLONING AND STRUCTURAL ANALYSIS OF QUINOHEMOPROTEIN ALCOHOL DEHYDROGENASE ADH-IIG FROM PSEUDOMONAS PUTIDA HK5 J.MOL.BIOL. V. 352 91 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YIQ - PQQ C14 H6 N2 O8 c1c2c([nH]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YIQ - PQQ C14 H6 N2 O8 c1c2c([nH]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YIQ - PQQ C14 H6 N2 O8 c1c2c([nH]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PQQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PQQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YIQ; Ligand: PQQ; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 1yiq.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5SWI BMA 0.01944 0.40265 1.1611
2 3BWN PMP 0.0152 0.40264 1.27877
3 5A0U CHT 0.01099 0.42236 1.45138
4 2WQN ADP 0.01436 0.40383 1.6129
5 3A23 GAL 0.02781 0.40149 1.9544
6 3G6M CFF 0.008061 0.42754 2.21675
7 3K8D KDO 0.02654 0.40255 2.27273
8 5LUN OGA 0.02816 0.4012 2.27273
9 4A01 2PN 0.02123 0.40334 2.32221
10 5FAW CHT 0.009082 0.42662 2.46734
11 2G3F IZC 0.01744 0.41389 3.32542
12 3CQ5 PMP 0.007595 0.43062 3.52304
13 1KI6 AHU 0.01616 0.40932 3.92749
14 1U0A BGC BGC BGC BGC 0.00913 0.40562 4.20561
15 2NZ2 ASP 0.0223 0.40157 4.35835
16 2BCG GER 0.01833 0.40657 4.36893
17 4B1L FRU 0.02013 0.40756 4.84848
18 2JIG PD2 0.02205 0.40252 4.91071
19 1W62 PYC 0.02881 0.40069 5.07246
20 3RF4 FUN 0.02425 0.40458 6.03448
21 1K12 FUC 0.01563 0.41138 7.59494
22 1M5W DXP 0.02901 0.40053 7.81893
23 4L80 OXL 0.01991 0.4083 8.90805
24 3QP6 HL6 0.01215 0.40353 9.0566
25 5D3U TRP 0.0119 0.42058 9.36768
26 2ET1 GLV 0.02993 0.40195 9.45274
27 3QP8 HL0 0.01037 0.4031 12.5
28 3IT1 TLA 0.02643 0.40406 14.6199
29 3QUG GIX 0.02284 0.40175 17.4603
30 4CVC PQQ 0.0000007643 0.5907 39.8601
31 1G72 PQQ 0.000000000004269 0.79255 47.1204
32 2D0V PQQ 0.000000000006318 0.7744 48.5762
33 1W6S PQQ 0.00000000003054 0.75621 48.581
34 1LRW PQQ 0.00000000002069 0.7634 49.1667
35 4MAE PQQ 0.00000000001487 0.7695 49.2201
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