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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 1443 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 1205 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 1039 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: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 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 with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 5l9b.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4EWH T77 1.5873
2 3MPB FRU 1.62602
3 4RFR RHN 1.97044
4 4BG1 OGA 1.98413
5 4BG1 IVL 1.98413
6 5IVE 6E8 1.98413
7 3E2M E2M 2.16216
8 4QM9 CYS 2.31214
9 2CET PGI 2.38095
10 4UF0 MMK 2.38095
11 4XCB AKG 2.77778
12 4NAO AKG 2.77778
13 4XCB HY0 2.77778
14 4LIT AKG 2.77778
15 3WW2 SF6 2.77778
16 4PTX BGC 2.77778
17 4P7X YCP 3.1746
18 4P7X AKG 3.1746
19 4B7E OGA 3.1746
20 2Y0I AKG 3.1746
21 3AVR OGA 3.1746
22 3P3N AKG 3.1746
23 2XUM OGA 3.1746
24 4D52 GXL 3.1746
25 4D4U FUC GAL NAG 3.1746
26 2XMY CDK 3.1746
27 4Y3O OGA 3.1746
28 4CCO OGA 3.1746
29 4D4U FUC 3.1746
30 5NCJ HL5 3.1746
31 4D52 GIV 3.1746
32 4CCK OGA 3.1746
33 5NCJ SIN 3.1746
34 4CCN OGA 3.1746
35 5BVE 4VG 3.1746
36 5JWP AKG 3.1746
37 6FUL E7Z 3.1746
38 1ZB6 GST 3.1746
39 5A0U CHT 3.1746
40 2JLD AG1 3.1746
41 2WA4 069 3.1746
42 4NPL AKG 3.2
43 1LN1 DLP 3.27103
44 1OFZ FUL 3.57143
45 2YIP YIO 3.62319
46 1LRH NLA 3.68098
47 5O9W AKG 3.96825
48 4BXF AKG 3.96825
49 1T27 PCW 3.96825
50 1U6R ADP 3.96825
51 6EXF LYS 3.96825
52 5NKB 8ZT 3.96825
53 2A1X AKG 4.36508
54 3N9P OGA 4.36508
55 3PUR 2HG 4.36508
56 4QXB OGA 4.36508
57 3N9O OGA 4.36508
58 3N9Q OGA 4.36508
59 5ZM4 9FU 4.36508
60 5ZM4 AKG 4.36508
61 6GIN IR2 4.36508
62 1NX4 AKG 4.7619
63 2OG7 SIN 4.7619
64 4OJ8 AKG 4.7619
65 2V58 LZJ 4.7619
66 4OJ8 2TQ 4.7619
67 2H8H H8H 5.15873
68 5Y72 DST 5.15873
69 1UNB AKG 5.55556
70 1UNB PN1 5.55556
71 5G61 FNY 5.55556
72 3SCH TB6 5.55556
73 1OS7 TAU 5.55556
74 1OS7 AKG 5.55556
75 2IUW AKG 5.88235
76 6FXR AKG 5.95238
77 1ODM ASV 5.95238
78 4D06 NAR 5.95238
79 5WBF LAC 5.95238
80 5U98 1KX 6.06061
81 5KD6 LBU 6.34921
82 4CSD MFU 6.34921
83 5XEG AKG 6.49351
84 2CER PGI 6.74603
85 5I0U DCY 7
86 5A3T MMK 7.14286
87 5LY2 OGA 7.14286
88 5FP4 YC8 7.14286
89 5F3I 5UJ 7.14286
90 5FWE OGA 7.14286
91 1WUB OTP 7.30337
92 6EOZ 58K 7.53968
93 6EOZ AKG 7.53968
94 6F6D AKG 7.93651
95 5FP3 3JI 7.93651
96 1V08 NTZ 8.33333
97 1Y0G 8PP 8.37696
98 2JIG PD2 8.48214
99 1ZOA 140 8.73016
100 4UHL VFV 9.12698
101 2FCU AKG 9.92064
102 2ET1 GLV 9.95025
103 2RDQ AKG 10.3175
104 4B1M FRU FRU 10.3175
105 5JSP DQY 10.4478
106 4M26 AKG 11.1111
107 4M26 SIN 11.1111
108 4M26 ZZU 11.1111
109 5C5T AKG 11.4035
110 2Z77 HE7 11.5108
111 3A6T 8OG 11.6279
112 5TFZ 7BC 12
113 1OIJ AKG 12.6984
114 1OIK C26 12.6984
115 1OIK AKG 12.6984
116 5L6G XYP 12.6984
117 1H2M OGA 13.4615
118 1QY1 PRZ 13.7931
119 5ML3 DL3 14.7651
120 3R1V AZB 14.9606
121 4OCT AKG 15.3153
122 4B1L FRU 15.7576
123 1H2K OGA 17.0732
124 3KV4 OGA 17.4603
125 5YBL AKG 19.4444
126 1LOJ URI 19.5402
127 5HV0 AKG 23.0415
128 4IE6 UN9 26.3158
129 6F6J CUW 26.3158
130 6F6J SIN 26.3158
131 5C3R HMU 31.5789
132 5C3R AKG 31.5789
133 1GP6 DH2 36.8421
134 1GP6 SIN 36.8421
135 1GP6 QUE 36.8421
136 2WBP SIN 42.1053
137 2WBP ZZU 42.1053
138 1QIN GIP 42.1053
139 3DLG GWE 42.1053
140 1DRY AAG 47.3684
141 1DRY AKG 47.3684
Pocket No.: 2; Query (leader) PDB : 5L9B; Ligand: AKG; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 5l9b.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPU KYT 2.51572
2 1DY4 SNP 2.77778
3 5VC5 96M 3.1746
4 4O9S 2RY 3.25581
5 1ZHX HC3 3.57143
6 6EZ6 C5Z 4.7619
7 5AE9 OKO 4.7619
8 2PVN P63 4.7619
9 3SAO NKN 5.625
10 3BW2 FMN 6.34921
11 2GJ5 VD3 6.79012
12 1GT4 UNA 6.91824
13 3A76 SPD 7.38636
14 2QL9 CIT 7.51445
15 3RUG DB6 9.12863
16 1N5S ADL 9.82143
17 3NW7 LGV 10.7143
18 5E2N V14 13.8889
19 3EW2 BTN 17.0635
20 3PP0 03Q 31.5789
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