Receptor
PDB id Resolution Class Description Source Keywords
3HQR 2 Å EC: 1.14.11.- PHD2:MN:NOG:HIF1-ALPHA SUBSTRATE COMPLEX HOMO SAPIENS DOUBLE STRANDED BETA-HELIX ALTERNATIVE SPLICING CONGENITALERYTHROCYTOSIS DIOXYGENASE DISEASE MUTATION IRON METAL-BINDING OXIDOREDUCTASE VITAMIN C ZINC ZINC-FINGER ACTIVATOR CYTOPLASM DNA-BINDING HYDROXYLATION ISOPEPTIDE BOND NUCLEUS PHOSPHOPROTEIN POLYMORPHISM S- NITROSYLATION TRANSCRIPTION TRANSCRIPTION REGULATION UBLCONJUGATION OXIDOREDUCTASE/TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL BASIS FOR BINDING OF HYPOXIA-INDUCIBLE FACTOR TO THE OXYGEN-SENSING PROLYL HYDROXYLASES STRUCTURE V. 17 981 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
OGA A:600;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HQR 2 Å EC: 1.14.11.- PHD2:MN:NOG:HIF1-ALPHA SUBSTRATE COMPLEX HOMO SAPIENS DOUBLE STRANDED BETA-HELIX ALTERNATIVE SPLICING CONGENITALERYTHROCYTOSIS DIOXYGENASE DISEASE MUTATION IRON METAL-BINDING OXIDOREDUCTASE VITAMIN C ZINC ZINC-FINGER ACTIVATOR CYTOPLASM DNA-BINDING HYDROXYLATION ISOPEPTIDE BOND NUCLEUS PHOSPHOPROTEIN POLYMORPHISM S- NITROSYLATION TRANSCRIPTION TRANSCRIPTION REGULATION UBLCONJUGATION OXIDOREDUCTASE/TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL BASIS FOR BINDING OF HYPOXIA-INDUCIBLE FACTOR TO THE OXYGEN-SENSING PROLYL HYDROXYLASES STRUCTURE V. 17 981 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 3HQU - UN9 C12 H9 Cl N2 O4 c1ccc2c(c1....
2 3HQR - OGA C4 H5 N O5 C(C(=O)O)N....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5L9B - AKG C5 H6 O5 C(CC(=O)O)....
2 3HQU - UN9 C12 H9 Cl N2 O4 c1ccc2c(c1....
3 3HQR - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5L9B - AKG C5 H6 O5 C(CC(=O)O)....
2 3HQU - UN9 C12 H9 Cl N2 O4 c1ccc2c(c1....
3 3HQR - OGA C4 H5 N O5 C(C(=O)O)N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OGA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OGA 1 1
2 AAC 0.461538 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HQR; Ligand: OGA; Similar sites found: 102
This union binding pocket(no: 1) in the query (biounit: 3hqr.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NNF AKG 0.000006182 0.48486 1.62602
2 4BG1 IVL 0.001941 0.44525 2.03252
3 5IVE 6E8 0.02208 0.40597 2.03252
4 4BVA T3 0.03293 0.40561 2.03252
5 4QM9 CYS 0.0003713 0.43523 2.31214
6 5M7Y MAN MAN MAN 0.008683 0.40874 2.43902
7 4XCB HY0 0.0000113 0.56051 2.84553
8 1OIK AKG 0.00003361 0.53991 2.84553
9 4XCB AKG 0.000001709 0.53968 2.84553
10 3KV5 OGA 0.0003057 0.49522 2.84553
11 4NAO AKG 0.00001332 0.46081 2.84553
12 1OIJ AKG 0.00001743 0.45755 2.84553
13 4QXB OGA 0.0004022 0.449 2.84553
14 4WHZ 3NL 0.007985 0.44356 2.84553
15 1OIK C26 0.0005619 0.43979 2.84553
16 4B7E OGA 0.0001168 0.51322 3.25203
17 2WA4 069 0.00006418 0.49997 3.25203
18 2Y0I AKG 0.0006079 0.47544 3.25203
19 2XUM OGA 0.0008086 0.4695 3.25203
20 3P3N AKG 0.0008595 0.46821 3.25203
21 4CCN OGA 0.004809 0.42604 3.25203
22 1Q9I TEO 0.02424 0.42581 3.25203
23 4Y3O OGA 0.007784 0.41505 3.25203
24 5BU3 4W9 0.002358 0.44123 3.26087
25 1LN1 DLP 0.01762 0.4132 3.27103
26 3PUA OGA 0.00008815 0.51802 3.65854
27 3T7V MD0 0.01668 0.40154 3.65854
28 1LRH NLA 0.003033 0.41735 3.68098
29 5LUN ARG 0.000007673 0.56864 4.06504
30 5LUN OGA 0.000001153 0.55126 4.06504
31 3PUR 2HG 0.0004963 0.48075 4.06504
32 5M0T AKG 0.001578 0.45749 4.06504
33 1T27 PCW 0.01473 0.42632 4.06504
34 3N9P OGA 0.0004332 0.41275 4.06504
35 3N9O OGA 0.0006136 0.41232 4.06504
36 3N9Q OGA 0.0006321 0.41174 4.06504
37 2CET PGI 0.02181 0.40375 4.06504
38 5IXH OTP 0.04014 0.40208 4.34783
39 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.0002036 0.44268 4.42478
40 2A1X AKG 0.000000778 0.48151 4.47154
41 4OJ8 AKG 0.00005242 0.45646 4.87805
42 1NX4 AKG 0.0001858 0.44073 4.87805
43 4OJ8 2TQ 0.0006533 0.40442 4.87805
44 5IQT AKG 0.00003935 0.46331 5.28455
45 5IQT 6CU 0.00004185 0.44132 5.28455
46 2XK9 XK9 0.007699 0.43349 5.69106
47 1UNB AKG 0.00001429 0.43171 5.69106
48 1UNB PN1 0.000017 0.4187 5.69106
49 1OS7 TAU 0.001612 0.40336 5.69106
50 1OS7 AKG 0.001612 0.40336 5.69106
51 5G61 FNY 0.01329 0.40193 5.69106
52 5U98 1KX 0.0403 0.414 6.06061
53 1ODM ASV 0.00002046 0.54595 6.09756
54 3H7J PPY 0.0002846 0.46155 6.09756
55 3W21 AKG 0.00001312 0.46232 6.50407
56 2CER PGI 0.02159 0.40645 6.91057
57 1GT4 UNA 0.002771 0.41192 6.91824
58 5I0U DCY 0.0001743 0.47389 7
59 1WUB OTP 0.02423 0.41518 7.30337
60 5F3I 5UJ 0.01215 0.43887 7.31707
61 3TAY MN0 0.003197 0.44322 7.36196
62 1GQG DCD 0.01513 0.40436 7.72358
63 4GJY OGA 0.0005007 0.48138 8.51064
64 4MNS 2AX 0.03346 0.412 8.80503
65 2RDQ AKG 0.0006063 0.41153 8.94309
66 4ZSI GLP 0.01047 0.40291 9.35672
67 2JIG PD2 0.0000001064 0.60173 9.375
68 5IXG OTP 0.02594 0.41619 9.46746
69 1N5S ADL 0.004726 0.40189 9.82143
70 2ET1 GLV 0.003158 0.43971 9.95025
71 1MJJ HAL 0.01743 0.40442 10.1322
72 2FCU AKG 0.00028 0.44316 10.1626
73 5H2D ERG 0.01095 0.4111 10.1626
74 5JSP DQY 0.0006171 0.42557 10.4478
75 5FU3 BGC BGC BGC 0.01742 0.40133 11.3208
76 4M26 AKG 0.0004678 0.48094 11.3821
77 4M26 SIN 0.01354 0.41121 11.3821
78 5C5T AKG 0.000000009656 0.69802 11.4035
79 5TFZ 7BC 0.001786 0.42172 12
80 4ZU4 4TG 0.008388 0.41137 12.1622
81 1VJ7 GDP 0.01139 0.41084 12.6016
82 1H2M OGA 0.0007059 0.47281 13.4615
83 1QY1 PRZ 0.0005737 0.47043 13.7931
84 5ML3 DL3 0.02873 0.40673 14.7651
85 1H2K OGA 0.0007355 0.47175 17.0732
86 3KV4 OGA 0.0005347 0.47961 17.4797
87 5HV0 AKG 0.0000003237 0.60887 23.0415
88 1ULE GLA GAL NAG 0.009026 0.41078 25.3333
89 1GP6 QUE 0.00001838 0.55026 29.4118
90 1GP6 SIN 0.00001698 0.54985 29.4118
91 1GP6 DH2 0.00001698 0.54985 29.4118
92 5I8T LAC 0.003139 0.40927 29.4118
93 5GVL GI8 0.03053 0.40822 29.4118
94 5GVL PLG 0.03053 0.40822 29.4118
95 5C3R AKG 0.00001275 0.49843 35.2941
96 5C3R HMU 0.00001275 0.49843 35.2941
97 2WSA 646 0.04035 0.42486 35.2941
98 2WSA MYA 0.04035 0.42486 35.2941
99 4J25 OGA 0.0000000007815 0.77495 38.8646
100 4XAC AKG 0.000111 0.45789 41.1765
101 5JNN 6LM 0.007914 0.4195 41.1765
102 5EPA AKG 0.0002002 0.46015 47.0588
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