Receptor
PDB id Resolution Class Description Source Keywords
5L9B 1.95 Å NON-ENZYME: OTHER HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH 2-OXO (2OG) AND HIF-1ALPHA CODD (556-574) HOMO SAPIENS OXIDOREDUCTASE NON-HEME DIOXYGENASE IRON 2-OXOGLUTARATE INDUCIBLE FACTOR HIF HIF PROLYL HYDROXYLASE DOMAIN 2 PHDOXYGENASE HYPOXIA DNA-BINDING METAL-BINDING TRANSCRIPTIHELIX-LOOP-HELIX-BETA DSBH FACIAL TRIAD CYTOPLASM TRANSCRIPTION/EPIGENETIC REGULATION SIGNALING DEVELOPMENTSTRUCTURE BETA-HYDROXYLATION TRANSCRIPTION ACTIVATOR/INHIUBL CONJUGATION POLYMORPHISM VITAMIN C ZINC-FINGER FAMIERYTHROCYTOSIS BREAST CANCER TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL BASIS FOR OXYGEN DEGRADATION DOMAIN SELE OF THE HIF PROLYL HYDROXYLASES. NAT COMMUN V. 7 12673 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:501;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
AKG A:502;
B:502;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L9B 1.95 Å NON-ENZYME: OTHER HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH 2-OXO (2OG) AND HIF-1ALPHA CODD (556-574) HOMO SAPIENS OXIDOREDUCTASE NON-HEME DIOXYGENASE IRON 2-OXOGLUTARATE INDUCIBLE FACTOR HIF HIF PROLYL HYDROXYLASE DOMAIN 2 PHDOXYGENASE HYPOXIA DNA-BINDING METAL-BINDING TRANSCRIPTIHELIX-LOOP-HELIX-BETA DSBH FACIAL TRIAD CYTOPLASM TRANSCRIPTION/EPIGENETIC REGULATION SIGNALING DEVELOPMENTSTRUCTURE BETA-HYDROXYLATION TRANSCRIPTION ACTIVATOR/INHIUBL CONJUGATION POLYMORPHISM VITAMIN C ZINC-FINGER FAMIERYTHROCYTOSIS BREAST CANCER TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL BASIS FOR OXYGEN DEGRADATION DOMAIN SELE OF THE HIF PROLYL HYDROXYLASES. NAT COMMUN V. 7 12673 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5L9B - AKG C5 H6 O5 C(CC(=O)O)....
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: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L9B; Ligand: AKG; Similar sites found: 72
This union binding pocket(no: 1) in the query (biounit: 5l9b.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RFR RHN 0.00005235 0.52186 1.97044
2 5IVE 6E8 0.0275 0.40479 1.98413
3 4QM9 CYS 0.001753 0.417 2.31214
4 4WHZ 3NL 0.01108 0.44025 2.38095
5 2CET PGI 0.01073 0.42298 2.38095
6 4UF0 MMK 0.008579 0.40673 2.38095
7 4XCB HY0 0.000004949 0.58585 2.77778
8 4XCB AKG 0.0000003011 0.58421 2.77778
9 4PTX BGC 0.01172 0.40255 2.77778
10 4P7X AKG 0.00003532 0.52749 3.1746
11 4P7X YCP 0.00003532 0.52749 3.1746
12 3AVR OGA 0.001068 0.46106 3.1746
13 2XMY CDK 0.02222 0.43408 3.1746
14 3AVS OGA 0.002722 0.42174 3.1746
15 2XUM OGA 0.001708 0.40682 3.1746
16 1ZB6 GST 0.02991 0.40174 3.1746
17 2JLD AG1 0.03149 0.40059 3.1746
18 4NPL AKG 0.000003076 0.52967 3.2
19 1LN1 DLP 0.02042 0.41373 3.27103
20 1LRH NLA 0.004646 0.41678 3.68098
21 4BXF AKG 0.0002885 0.44832 3.96825
22 1T27 PCW 0.01048 0.43798 3.96825
23 3PUR 2HG 0.0002415 0.49385 4.36508
24 4QXB OGA 0.0001598 0.47681 4.36508
25 2A1X AKG 0.000002886 0.4739 4.36508
26 3N9P OGA 0.0002089 0.43818 4.36508
27 3N9O OGA 0.0003076 0.43234 4.36508
28 3N9Q OGA 0.0003128 0.43204 4.36508
29 2V58 LZJ 0.01951 0.42467 4.7619
30 2OG7 SIN 0.0005049 0.41618 4.7619
31 2H8H H8H 0.01023 0.40947 5.15873
32 1OS7 TAU 0.001348 0.45594 5.55556
33 1OS7 AKG 0.001348 0.45594 5.55556
34 5G61 FNY 0.008402 0.41553 5.55556
35 2IUW AKG 0.004729 0.44225 5.88235
36 1ODM ASV 0.000006372 0.57823 5.95238
37 4D06 NAR 0.01535 0.40632 5.95238
38 5U98 1KX 0.02173 0.43204 6.06061
39 5I0U DCY 0.0001859 0.48198 7
40 5F3I 5UJ 0.008871 0.45021 7.14286
41 5A3T MMK 0.01277 0.42175 7.14286
42 1WUB OTP 0.008271 0.44336 7.30337
43 5FP3 3JI 0.01653 0.40635 7.93651
44 1V08 NTZ 0.006242 0.4198 8.33333
45 2JIG PD2 0.0000004261 0.59308 8.48214
46 4GJY OGA 0.001021 0.46095 8.51064
47 1ZOA 140 0.04342 0.40089 8.73016
48 5HCY 60D 0.01769 0.42604 9.12698
49 2FCU AKG 0.0001455 0.46206 9.92064
50 2RDQ AKG 0.0004057 0.48331 10.3175
51 5JSP DQY 0.003138 0.40629 10.4478
52 4M26 AKG 0.0003607 0.44629 11.1111
53 4M26 SIN 0.007823 0.42704 11.1111
54 4M26 ZZU 0.007823 0.42704 11.1111
55 5C5T AKG 0.000000009907 0.69301 11.4035
56 5TFZ 7BC 0.004199 0.41223 12
57 1OIJ AKG 0.000003677 0.48999 12.6984
58 1QY1 PRZ 0.002586 0.44412 13.7931
59 5ML3 DL3 0.01754 0.42143 14.7651
60 3R1V AZB 0.0196 0.4057 14.9606
61 4OCT AKG 0.000003489 0.56245 15.3153
62 3KV4 OGA 0.0004535 0.43886 17.4603
63 5HV0 AKG 0.0000005552 0.60716 23.0415
64 3VRV YSD 0.02519 0.42209 26.3158
65 5C3R AKG 0.000008721 0.49712 31.5789
66 5C3R HMU 0.000008721 0.49712 31.5789
67 1GP6 DH2 0.0000786 0.52432 36.8421
68 1GP6 SIN 0.0000786 0.52432 36.8421
69 1GP6 QUE 0.000086 0.52432 36.8421
70 5IH9 6BF 0.0399 0.40084 36.8421
71 1DRY AKG 0.0007547 0.47917 47.3684
72 1DRY AAG 0.0007547 0.47917 47.3684
Pocket No.: 2; Query (leader) PDB : 5L9B; Ligand: AKG; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 5l9b.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E2M E2M 0.03355 0.40039 2.16216
2 1DY4 SNP 0.04554 0.41923 2.77778
3 2ZKJ ADP 0.04566 0.40514 2.77778
4 5VC5 96M 0.02148 0.41043 3.1746
5 5A0U CHT 0.007354 0.4042 3.1746
6 4Y3O OGA 0.003472 0.40328 3.1746
7 1ZHX HC3 0.01776 0.41331 3.57143
8 2PVN P63 0.03116 0.40334 4.7619
9 3SAO NKN 0.01247 0.40552 5.625
10 2CER PGI 0.02301 0.41266 6.74603
11 1GT4 UNA 0.001928 0.44732 6.91824
12 2Q8C AKG 0.01357 0.40056 7.14286
13 1N5S ADL 0.01454 0.40433 9.82143
14 3NW7 LGV 0.04275 0.41097 10.7143
15 4QJP V1F 0.02724 0.40237 13.8889
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