-->
Receptor
PDB id Resolution Class Description Source Keywords
3GJB 2.2 Å NON-ENZYME: OTHER CYTC3 WITH FE(II) AND ALPHA-KETOGLUTARATE STREPTOMYCES SP. CYTC3 HALOGENASE BETA BARREL BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL ANALYSIS OF AN OPEN ACTIVE SITE CONFORMA NONHEME IRON HALOGENASE CYTC3 J.AM.CHEM.SOC. V. 131 4872 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:323;
A:324;
A:325;
B:322;
B:323;
B:324;
B:325;
B:326;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
AKG A:321;
A:322;
B:321;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:320;
B:320;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
SO4 A:326;
B:327;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GJB 2.2 Å NON-ENZYME: OTHER CYTC3 WITH FE(II) AND ALPHA-KETOGLUTARATE STREPTOMYCES SP. CYTC3 HALOGENASE BETA BARREL BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL ANALYSIS OF AN OPEN ACTIVE SITE CONFORMA NONHEME IRON HALOGENASE CYTC3 J.AM.CHEM.SOC. V. 131 4872 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3GJB - 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 1205 families.
1 3GJB - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2FCV - AKG C5 H6 O5 C(CC(=O)O)....
2 2FCU - AKG C5 H6 O5 C(CC(=O)O)....
3 2FCT - AKG C5 H6 O5 C(CC(=O)O)....
4 3GJB - 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 : 3GJB; Ligand: AKG; Similar sites found with APoc: 37
This union binding pocket(no: 1) in the query (biounit: 3gjb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5KKA 6V0 0.961538
2 1EU8 TRE 1.5674
3 2NSX IFM 1.88088
4 1SJD NPG 2.19436
5 2X1E X1E 2.19436
6 3ICS COA 2.50784
7 4CYI ATP 2.50784
8 5OGX FAD 2.50784
9 3T1A 5MA 2.50784
10 2P2V CSF 2.77778
11 1RM0 NAI 3.1348
12 3IQE F42 3.18021
13 3NT6 COA 4.07523
14 3NTA COA 4.07523
15 1T3Q MCN 4.16667
16 1WY7 SAH 4.34783
17 3ZJ0 ACO 4.36893
18 2XCG XCG 4.38871
19 5KD6 6C7 4.38871
20 3AI7 TPP 4.38871
21 4NSQ COA 4.70219
22 1XOC VAL ASP SER LYS ASN THR SER SER TRP 5.01567
23 2DC1 NAD 5.50847
24 3IHZ FK5 5.55556
25 2GGH NLQ 5.95611
26 4JSR 1NQ 6.66667
27 3OFK SAH 6.94444
28 3SLS 77D 8.22368
29 4C0R GDS 8.87097
30 1CM0 COA 8.92857
31 1GZ4 ATP 9.09091
32 5HUA FK5 9.56522
33 5HWC FK5 9.56522
34 3DCJ THH 10.2326
35 1CEB AMH 12.5
36 3K0T BGC 13.986
37 3DUR KDO 28.5714
Pocket No.: 2; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: 73
This union binding pocket(no: 2) in the query (biounit: 3gjb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4H6Q TFB 1.28205
2 4H6Q FAD 1.28205
3 3D91 REM 1.5674
4 5N9T 8QQ 2.19436
5 4YDQ HFG 2.50784
6 4YDQ ANP 2.50784
7 4XCB AKG 2.68199
8 4XCB HY0 2.68199
9 5AE2 FYC 2.82132
10 5AE2 FAD 2.82132
11 2WA4 069 2.82132
12 4B7E OGA 2.82132
13 1H2K OGA 2.82132
14 2Y0I AKG 2.82132
15 1R27 MGD 2.82132
16 4NAO AKG 3.1348
17 6E08 NAP 3.1348
18 3KV4 OGA 3.1348
19 2WBP ZZU 3.1348
20 2WBP SIN 3.1348
21 4GID 0GH 3.1348
22 2P53 NNG 3.1348
23 1OS7 TAU 3.18021
24 1OS7 AKG 3.18021
25 5ZM4 9FU 3.26797
26 5ZM4 AKG 3.26797
27 5L3S GNP 3.3557
28 4OJ8 AKG 3.41297
29 4OJ8 2TQ 3.41297
30 4UF0 MMK 3.44828
31 3AVR OGA 3.44828
32 6F6D AKG 3.44828
33 5FP3 3JI 3.44828
34 1REQ DCA 3.44828
35 4NPL AKG 3.6
36 1NX4 AKG 3.663
37 4M26 SIN 3.76176
38 4M26 ZZU 3.76176
39 4M26 AKG 3.76176
40 1UNB PN1 3.85852
41 1UNB AKG 3.85852
42 3N9P OGA 4.07523
43 3N9O OGA 4.07523
44 3PUR 2HG 4.07523
45 1N07 FMN 4.90798
46 6F6J SIN 5.01567
47 6F6J CUW 5.01567
48 4C5N ACP 5.07246
49 6F4T OGA 5.09804
50 5C5T AKG 5.26316
51 2ET1 GLV 5.47264
52 4QM9 CYS 5.78035
53 2QZX IVA VAL VAL STA ALA STA 5.95611
54 6EXF LYS 6.26959
55 4P7X YCP 7.19178
56 4P7X AKG 7.19178
57 5IVE 6E8 7.21003
58 5VA6 SAH 7.42358
59 2JIG PD2 7.58929
60 4M8X KGQ 8.08081
61 4QXB OGA 8.82353
62 1LRH NLA 9.20245
63 4OCT AKG 9.45946
64 2RCU BUJ 10.6583
65 5DJH AMP 11.1111
66 5ECP MET 11.2108
67 5ECP ATP 11.2108
68 5ECP JAA 11.2108
69 4BG1 IVL 12.2257
70 4BG1 OGA 12.2257
71 5NCJ SIN 23.1343
72 5NCJ HL5 23.1343
73 2RDQ AKG 26.3889
Pocket No.: 3; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 3gjb.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1HG4 LPP 2.15054
2 5NGL NOJ BGC 2.50784
3 1RPN NDP 3.76176
4 4EN4 GT1 4.48718
5 4EN4 ATP 4.48718
6 4Z87 5GP 4.70219
7 4INQ PIF 5.64263
8 3DG6 MUC 5.95611
9 1FKB RAP 6.54206
10 3LGG CFE 9.40439
Pocket No.: 4; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: 11
This union binding pocket(no: 4) in the query (biounit: 3gjb.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2VMG MBG 1.91083
2 3QT6 2P0 2.82132
3 1RM0 D6P 3.1348
4 3TYZ PAB 3.21429
5 3TYZ XHP 3.21429
6 3AB4 THR 3.93258
7 5ETR APC 4.34783
8 5ETR 5RW 4.34783
9 3ZDS HQ9 5.64263
10 6C4A PYR 5.64263
11 1FDQ HXA 9.16031
Pocket No.: 5; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3gjb.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 3gjb.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1PN4 HDC 2.85714
2 4LZJ 22H 3.9604
3 1V1A ADP 4.20712
4 3VEH 0GA 4.70219
Pocket No.: 7; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3gjb.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: 10
This union binding pocket(no: 8) in the query (biounit: 3gjb.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4R57 ACO 2.27273
2 5JWP AKG 2.82132
3 1H2M OGA 2.82132
4 3P3N AKG 2.82132
5 2XUM OGA 2.82132
6 4CE5 PDG 3.1348
7 3MQG UDP 3.64583
8 2IUW AKG 4.70219
9 2OG7 SIN 5.95611
10 3HQR OGA 9.34959
Pocket No.: 9; Query (leader) PDB : 3GJB; Ligand: AKG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3gjb.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback