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Receptor
PDB id Resolution Class Description Source Keywords
2XUM 2.2 Å EC: 1.14.11.30 FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN( AND ASP-SUBSTRATE PEPTIDE (20-MER) HOMO SAPIENS OXIDOREDUCTASE-PEPTIDE COMPLEX NON-HEME DIOXYGENASE OXYGEHYPOXIA METAL-BINDING HELIX-LOOP-HELIX-BETA FACIAL TRIADSIGNALING BETA-HYDROXYLATION TRANSCRIPTION ACTIVATOR/INHI
Ref.: ASPARAGINE AND ASPARTATE HYDROXYLATION OF THE CYTOS ANKYRIN FAMILY IS CATALYZED BY FACTOR-INHIBITING HYPOXIA-INDUCIBLE FACTOR. J. BIOL. CHEM. V. 286 7648 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OGA A:601;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
SO4 A:602;
A:603;
A:604;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:501;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XUM 2.2 Å EC: 1.14.11.30 FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN( AND ASP-SUBSTRATE PEPTIDE (20-MER) HOMO SAPIENS OXIDOREDUCTASE-PEPTIDE COMPLEX NON-HEME DIOXYGENASE OXYGEHYPOXIA METAL-BINDING HELIX-LOOP-HELIX-BETA FACIAL TRIADSIGNALING BETA-HYDROXYLATION TRANSCRIPTION ACTIVATOR/INHI
Ref.: ASPARAGINE AND ASPARTATE HYDROXYLATION OF THE CYTOS ANKYRIN FAMILY IS CATALYZED BY FACTOR-INHIBITING HYPOXIA-INDUCIBLE FACTOR. J. BIOL. CHEM. V. 286 7648 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2XUM - OGA C4 H5 N O5 C(C(=O)O)N....
2 4B7K - OGA C4 H5 N O5 C(C(=O)O)N....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4B7E - OGA C4 H5 N O5 C(C(=O)O)N....
2 2Y0I - AKG C5 H6 O5 C(CC(=O)O)....
3 2XUM - OGA C4 H5 N O5 C(C(=O)O)N....
4 4B7K - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3P3N - AKG C5 H6 O5 C(CC(=O)O)....
2 4B7E - OGA C4 H5 N O5 C(C(=O)O)N....
3 2Y0I - AKG C5 H6 O5 C(CC(=O)O)....
4 2XUM - OGA C4 H5 N O5 C(C(=O)O)N....
5 4B7K - 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 : 2XUM; Ligand: OGA; Similar sites found with APoc: 225
This union binding pocket(no: 1) in the query (biounit: 2xum.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3NNF AKG 1.45349
2 2C1Q BTN 1.5873
3 5YBL AKG 1.59236
4 5KR7 6X9 1.7192
5 5Y4K AKR 1.7192
6 3B1Q NOS 1.84049
7 5EQU 5R6 1.96721
8 5EQU AKG 1.96721
9 4IGQ THR M3L GLN 2.00573
10 4IGQ OGA 2.00573
11 6EXF LYS 2.00573
12 1KJ8 ATP 2.00573
13 1GP6 QUE 2.00573
14 1GP6 DH2 2.00573
15 1GP6 SIN 2.00573
16 3ZDS OMD 2.00573
17 3ZDS HMQ 2.00573
18 3ZDS HQ9 2.00573
19 3QT6 2P0 2.10843
20 4J25 OGA 2.18341
21 4M26 ZZU 2.29226
22 4M26 SIN 2.29226
23 5YJS SAL 2.29226
24 4M26 AKG 2.29226
25 5W19 9TD 2.29226
26 1H8S AIC 2.38095
27 5FP4 YC8 2.39521
28 2RDQ AKG 2.43056
29 1R6W 164 2.48447
30 3NKT 1HN 2.5788
31 6FXR AKG 2.5788
32 2WBP ZZU 2.5788
33 2WBP SIN 2.5788
34 3ACL 3F1 2.7027
35 3GJB AKG 2.82132
36 4UF0 MMK 2.86533
37 5A61 3PO 2.86533
38 3C3N FMN 2.88462
39 5C5T AKG 3.07018
40 4OJ8 2TQ 3.07167
41 4OJ8 AKG 3.07167
42 2JIG PD2 3.125
43 5LUN ARG 3.15186
44 5LUN OGA 3.15186
45 2OBD PCW 3.15186
46 2OG7 SIN 3.15186
47 2RG0 CBI 3.15186
48 2RFY CBI 3.15186
49 5OX6 A1Z 3.1746
50 5L9B AKG 3.1746
51 1Y52 BTN 3.1746
52 5L9V OGA 3.1746
53 4BCS BTN 3.2
54 3VHH VHH 3.25203
55 3HQR OGA 3.25203
56 3RDO BTN 3.26797
57 1NX4 AKG 3.2967
58 1OIK C26 3.32226
59 1OIK AKG 3.32226
60 1OIJ AKG 3.32226
61 4C0C WVH 3.4384
62 3FSM 2NC 3.44828
63 4QM9 CYS 3.46821
64 1N5S ADL 3.57143
65 4E90 7RG 3.64742
66 5HV0 AKG 3.68664
67 3AVR OGA 3.72493
68 6FUL E7Z 3.72493
69 5KJU 6TO 3.72493
70 4Z28 BTN 3.73134
71 3RGA ILD 3.88693
72 4BX7 B4F 3.90625
73 4CPH LH4 3.93701
74 4XAC AKG 3.96825
75 5CAD PCA 4.01146
76 1OLM VTQ 4.01146
77 1DRY AKG 4.01235
78 1DRY AAG 4.01235
79 4JZR 4JR 4.16667
80 1OS7 AKG 4.24028
81 1OS7 TAU 4.24028
82 4RQL SNE 4.29799
83 5YW0 SIN 4.40252
84 3GM5 CIT 4.40252
85 5IQT AKG 4.44444
86 5IQT 6CU 4.44444
87 5JSP DQY 4.47761
88 1UNB PN1 4.50161
89 1UNB AKG 4.50161
90 1NYW DAU 4.56853
91 4MPO AMP 4.57516
92 1GQG DCD 4.58453
93 5KD6 LBU 4.58453
94 2UZ2 BTN 4.61538
95 4MLO PAM 4.71014
96 6EOZ 58K 4.87013
97 6EOZ AKG 4.87013
98 4BG1 IVL 4.87106
99 4BG1 OGA 4.87106
100 6F6J SIN 4.87106
101 6F6J CUW 4.87106
102 5O9W AKG 4.87106
103 4OCT AKG 4.95496
104 2ET1 GLV 4.97512
105 4GBD MCF 5.02183
106 3MKN DNB 5.06329
107 3WW2 SF6 5.07812
108 3WW2 LPK 5.07812
109 5NW7 9C2 5.15759
110 3EW2 BTN 5.18518
111 2YG2 S1P 5.23256
112 1J3R 6PG 5.26316
113 2GC0 PAN 5.31915
114 6CDG PRO GLY LEU TRP LYS SER 5.38922
115 4IE6 UN9 5.44413
116 2BUC 008 5.44413
117 2YVO AMP 5.49451
118 1LRH NLA 5.52147
119 4ZU5 THM 5.55556
120 5FAL SKT 5.73066
121 5FAL COA 5.73066
122 5V1B 8UY 5.83333
123 2A1X AKG 5.84416
124 5FLJ QUE 5.91398
125 5TFZ 7BC 6
126 4NPL AKG 6
127 6HDT BTN 6.01504
128 2FCU AKG 6.07029
129 2IFB PLM 6.10687
130 5C3R AKG 6.12245
131 5C3R HMU 6.12245
132 4XCB HY0 6.13027
133 4XCB AKG 6.13027
134 2HKA C3S 6.15385
135 4P7X AKG 6.16438
136 4P7X YCP 6.16438
137 3FW4 CAQ 6.17978
138 5FPX GLY SER SER HIS HIS HIS HIS HIS 6.19469
139 1L8N GCW 6.30372
140 5M0T AKG 6.46258
141 5E2N V14 6.46388
142 1QIN GIP 6.55738
143 3SCH TB6 6.56566
144 1ZZ7 S0H 6.56566
145 2ARC ARA 6.70732
146 2IGA XX2 6.87679
147 5A65 TPP 6.91244
148 4Q0P 0MK 6.92308
149 3W21 AKG 6.95971
150 1WBI BTN 6.97674
151 2FLI DX5 7.27273
152 3MPB FRU 7.31707
153 4XF6 LIP 7.32601
154 4XF6 ADP 7.32601
155 4XF6 INS 7.32601
156 3KJM 245 7.44986
157 3SM2 478 7.57576
158 4NAO AKG 7.66871
159 4LIT AKG 7.73639
160 2C1P FNZ 7.8341
161 3KV4 OGA 8.59599
162 4BJ8 BTN 8.73016
163 5UWA 8ND 8.86699
164 3H9A PPY 9.0535
165 3H7J PPY 9.0535
166 4IY7 KOU 9.16905
167 5XEG AKG 9.52381
168 4ZXA H8N 9.52381
169 3KV5 OGA 9.74212
170 1MDC PLM 9.84848
171 5I0U DCY 10
172 5D48 L96 10
173 3S43 478 10.101
174 5U98 1KX 10.101
175 3PUA OGA 10.3152
176 1QY1 PRZ 10.3448
177 4HSJ 6PC 10.3448
178 6F6D AKG 11.1748
179 5FP3 3JI 11.1748
180 2ZSC BTN 11.3475
181 4BXF AKG 11.7479
182 5ML3 DL3 12.0805
183 5YBN AKG 12.7389
184 4R38 RBF 12.8571
185 1ODM ASV 12.9909
186 1POT SPD 13.2308
187 2F2H XTG 13.467
188 6D61 4AA 14.8718
189 4ZU4 4TG 15.5405
190 4Y3O OGA 16.3324
191 2XFH CL6 16.3324
192 4CCK OGA 16.6189
193 4CCN OGA 16.6189
194 4CCO OGA 20
195 4CU7 GIF 20
196 2Y3S TIR 20
197 4JNJ BTN 23.4783
198 5UQD AKG 25
199 5EPA AKG 25
200 5ZM4 9FU 25
201 5ZM4 AKG 25
202 2AOT 2PM 25
203 5F3I 5UJ 30
204 5LY2 OGA 30
205 3OPT AKG 30
206 5FWE OGA 30
207 2OS2 OGA 30
208 2P5B OGA 30
209 2Q8E OGA 30
210 2YBP 2HG 30
211 6H8P OGA 30
212 2OAZ I96 30
213 6F68 4EU 30
214 6F68 GSH 30
215 4Q0A 4OA 30
216 5Y72 DST 30
217 5OES ADP 30
218 5X2Z 3LM 35
219 4RFR RHN 35
220 2Y88 2ER 35
221 4H03 LAR 35
222 4YRD 3IT 40
223 1QXW M1C 40
224 4QXB OGA 45
225 6F4T OGA 46.2745
226 5A3T MMK 50
227 5FWJ MMK 50
228 2IUW AKG 50
229 5AJP UDP 50
Pocket No.: 2; Query (leader) PDB : 2XUM; Ligand: OGA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xum.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XUM; Ligand: OGA; Similar sites found with APoc: 7
This union binding pocket(no: 3) in the query (biounit: 2xum.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5NCJ SIN 2.23881
2 3SAO NKN 3.125
3 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 4.78723
4 3MTX PGT 7.28477
5 1GT4 UNA 10.0629
6 2WVZ KIF 10.6017
7 1MI3 NAD 12.4224
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