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Receptor
PDB id Resolution Class Description Source Keywords
2A1X 2.5 Å EC: 1.14.11.18 HUMAN PHYTANOYL-COA 2-HYDROXYLASE IN COMPLEX WITH IRON AND 2 OXOGLUTARATE HOMO SAPIENS BETA JELLY ROLL DOUBLE-STRANDED BETA-HELIX STRUCTURAL GENOSTRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: STRUCTURE OF HUMAN PHYTANOYL-COA 2-HYDROXYLASE IDEN MOLECULAR MECHANISMS OF REFSUM DISEASE J.BIOL.CHEM. V. 280 41101 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:451;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:450;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2A1X 2.5 Å EC: 1.14.11.18 HUMAN PHYTANOYL-COA 2-HYDROXYLASE IN COMPLEX WITH IRON AND 2 OXOGLUTARATE HOMO SAPIENS BETA JELLY ROLL DOUBLE-STRANDED BETA-HELIX STRUCTURAL GENOSTRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: STRUCTURE OF HUMAN PHYTANOYL-COA 2-HYDROXYLASE IDEN MOLECULAR MECHANISMS OF REFSUM DISEASE J.BIOL.CHEM. V. 280 41101 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A1X - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A1X - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A1X - AKG C5 H6 O5 C(CC(=O)O)....
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 : 2A1X; Ligand: AKG; Similar sites found with APoc: 152
This union binding pocket(no: 1) in the query (biounit: 2a1x.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3IP8 B85 0.806452
2 2OG7 SIN 1.62338
3 5X8G S0N 1.62338
4 5YW0 SIN 1.94805
5 5XEG AKG 2.1645
6 3W21 AKG 2.1978
7 5LUN ARG 2.27273
8 5LUN OGA 2.27273
9 6F6J SIN 2.27273
10 6F6J CUW 2.27273
11 5IQT AKG 2.27273
12 4BG1 IVL 2.27273
13 4BG1 OGA 2.27273
14 5IQT 6CU 2.27273
15 5BRT CH9 2.27273
16 5F3I 5UJ 2.27273
17 6EXF LYS 2.27273
18 5FWE OGA 2.27273
19 5L9V OGA 2.38095
20 3H7J PPY 2.46914
21 4JP3 CIT 2.51046
22 6F6D AKG 2.5974
23 4BXF AKG 2.5974
24 5FP3 3JI 2.5974
25 2JIG PD2 2.67857
26 3PUA OGA 2.92208
27 4IGQ THR M3L GLN 2.92208
28 1PN0 IPH 2.92208
29 2IGA XX3 2.92208
30 1TB3 FMN 2.92208
31 1OIJ AKG 2.99003
32 1OIK AKG 2.99003
33 1OIK C26 2.99003
34 6F4T OGA 3.13725
35 2CJF RP4 3.18471
36 5HV0 AKG 3.22581
37 5FLJ QUE 3.22581
38 1UNB PN1 3.24675
39 1UNB AKG 3.24675
40 4LIT AKG 3.24675
41 3KV5 OGA 3.57143
42 1TLL NAP 3.57143
43 2YGN PCF 3.84615
44 4J25 OGA 3.8961
45 5C5T AKG 3.94737
46 4OJ8 2TQ 4.09556
47 4OJ8 AKG 4.09556
48 5BNS 4VM 4.22078
49 5OX6 A1Z 4.36508
50 5L9B AKG 4.36508
51 1NX4 AKG 4.3956
52 3HQR OGA 4.47154
53 4NAO AKG 4.54545
54 3N9O OGA 4.54545
55 3PUR 2HG 4.54545
56 5O9W AKG 4.54545
57 3N9Q OGA 4.54545
58 3N9P OGA 4.54545
59 3NKT 1HN 4.54545
60 5V1B 8UY 4.58333
61 2YGO PCF 4.78723
62 1GP6 DH2 4.87013
63 1GP6 QUE 4.87013
64 1GP6 SIN 4.87013
65 1ODM ASV 4.87013
66 4M26 ZZU 4.87013
67 4M26 SIN 4.87013
68 4M26 AKG 4.87013
69 5KR7 6X9 4.87013
70 4JZR 4JR 5.09259
71 5HA0 LTD 5.12821
72 5UQD AKG 5.19481
73 4HXY ACA 5.19481
74 3ZDS HMQ 5.19481
75 4NPL AKG 5.2
76 3AJH BL3 5.24194
77 1DRY AKG 5.51948
78 1DRY AAG 5.51948
79 3KV4 OGA 5.51948
80 5IVE 6E8 5.51948
81 4Q0P 0MK 5.76923
82 4IE6 UN9 5.84416
83 2WA4 069 5.84416
84 3E8N VRA 5.84416
85 3E8N ATP 5.84416
86 5FP4 YC8 5.84416
87 2XUM OGA 5.84416
88 4B7E OGA 5.84416
89 1H2K OGA 5.84416
90 1H2M OGA 5.84416
91 2GMH UQ5 5.84416
92 2Y0I AKG 5.84416
93 3P3N AKG 5.84416
94 4YGF AZM 5.98291
95 6FUL E7Z 6.02637
96 3AVR OGA 6.02637
97 1ZZ7 S0H 6.06061
98 3EWK FAD 6.1674
99 3WW2 LPK 6.25
100 1OS7 AKG 6.36042
101 1OS7 TAU 6.36042
102 4RFR RHN 6.40394
103 3VHH VHH 6.50407
104 4ZXA H8N 6.54762
105 2IUW AKG 6.72269
106 4BCQ TJF 6.87023
107 4HSJ 6PC 6.89655
108 4QM9 CYS 6.93642
109 4O67 1SY 7.14286
110 5I0U DCY 7.5
111 5FWJ MMK 7.79221
112 5I8T LAC 7.82123
113 5TFZ 7BC 8
114 2FTB OLA 8
115 2WBP SIN 8.10056
116 2WBP ZZU 8.10056
117 4B7X NAP 8.11688
118 3N0Y APC 8.37989
119 4XCB HY0 8.42912
120 4XCB AKG 8.42912
121 6FXR AKG 8.44156
122 2ET1 GLV 8.45771
123 4OCT AKG 9.00901
124 4AZ3 S35 9.67742
125 5C3R HMU 10.3896
126 5C3R AKG 10.3896
127 4UF0 MMK 10.3896
128 1N5S ADL 10.7143
129 5E2N V14 11.0266
130 1LRH NLA 11.0429
131 4P7X YCP 11.6438
132 4P7X AKG 11.6438
133 6FOF LAT 11.7347
134 4BX7 B4F 14.8438
135 5M0T AKG 17.0068
136 3NNF AKG 20.1299
137 5ZM4 AKG 20.2614
138 5ZM4 9FU 20.2614
139 4UBP HAE 27.7228
140 5YBN AKG 29.9363
141 2Q8E OGA 31.25
142 5YBL AKG 32.4841
143 2RDQ AKG 32.6389
144 6EOZ 58K 33.1169
145 6EOZ AKG 33.1169
146 4QXB OGA 33.3333
147 2FCU AKG 33.4416
148 5EPA AKG 33.6918
149 5NCJ SIN 35.4478
150 5NCJ HL5 35.4478
151 4XAC AKG 37.6984
152 2OS2 OGA 45.4545
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