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Receptor
PDB id Resolution Class Description Source Keywords
4FDV 1.68 Å EC: 5.4.1.2 COBH FROM RHODOBACTER CAPSULATUS (SB1003) IN COMPLEX WITH HB RHODOBACTER CAPSULATUS DOUBLY WOUND SHEET SIGMATROPHIC REARRANGEMENT HYDROGENOBYRACID ISOMERASE
Ref.: AN ENZYME-TRAP APPROACH ALLOWS ISOLATION OF INTERME COBALAMIN BIOSYNTHESIS. NAT.CHEM.BIOL. V. 8 933 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0UK A:301;
Valid;
none;
submit data
882.992 C45 H62 N4 O14 C[C@@...
GOL A:302;
A:303;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FDV 1.68 Å EC: 5.4.1.2 COBH FROM RHODOBACTER CAPSULATUS (SB1003) IN COMPLEX WITH HB RHODOBACTER CAPSULATUS DOUBLY WOUND SHEET SIGMATROPHIC REARRANGEMENT HYDROGENOBYRACID ISOMERASE
Ref.: AN ENZYME-TRAP APPROACH ALLOWS ISOLATION OF INTERME COBALAMIN BIOSYNTHESIS. NAT.CHEM.BIOL. V. 8 933 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FDV - 0UK C45 H62 N4 O14 C[C@@H]1[C....
2 4AU1 - P8X C44 H58 N4 O14 C[C@@H]1C2....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FDV - 0UK C45 H62 N4 O14 C[C@@H]1[C....
2 4AU1 - P8X C44 H58 N4 O14 C[C@@H]1C2....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4FDV - 0UK C45 H62 N4 O14 C[C@@H]1[C....
2 4AU1 - P8X C44 H58 N4 O14 C[C@@H]1C2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0UK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0UK 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FDV; Ligand: 0UK; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 4fdv.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5TVI MYR None
2 1NU4 MLA None
3 5M36 9SZ None
4 4WG0 CHD None
5 5M37 9SZ None
6 2VWA PTY None
7 2WJG GDP None
8 1XQP 8HG None
9 2WJH FLC None
10 5OLK DTP 1.43541
11 1VKJ A3P 1.43541
12 1JJV ATP 1.45631
13 2HHP FLC 2.39234
14 3ITJ CIT 2.87081
15 4QEK GLC 2.87081
16 1OXV ANP 2.87081
17 3N7S 3N7 3.125
18 5FJJ MAN 3.34928
19 2WH8 II2 3.34928
20 1GEG GLC 3.34928
21 1ZPD CIT 3.34928
22 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.34928
23 4C2W ANP 3.34928
24 5V4R MGT 3.7037
25 1R6N 434 3.82775
26 5IM3 DTP 3.82775
27 1ZED PNP 3.82775
28 4F4S EFO 3.94737
29 1I0B PEL 4.30622
30 3A4M ADP 4.30622
31 5FPN KYD 4.78469
32 5A96 GTP 4.78469
33 2YIV YIV 4.78469
34 5C1M CLR 4.8
35 4NTO 1PW 4.83092
36 6A0S NDP 5.26316
37 4JOB TLA 5.26316
38 1H74 ILE 5.26316
39 3O01 DXC 6.2201
40 4RW3 TDA 6.2201
41 5CX6 CDP 6.69856
42 1XP8 AGS 6.69856
43 5NM7 GLY 7.14286
44 5LX9 OLB 7.17703
45 2ZR9 DTP 7.17703
46 5CC2 CKA 7.17703
47 5DZ2 212 7.17703
48 4UCC ZKW 7.6555
49 5OSW DIU 7.6555
50 3W9F I3P 8.13397
51 1JGS SAL 8.69565
52 4TR1 GSH 8.69565
53 4OGQ 1O2 8.75
54 4RJD TFP 9.09091
55 5YZC 95C 9.09091
56 5W7B MYR 9.21986
57 3B9Z CO2 9.56938
58 5ZCO CHD 10.7143
59 5W97 CHD 10.7143
60 5Z84 CHD 10.7143
61 1Q7E MET 11.0048
62 4ZGM 32M 13.1148
63 2Y69 CHD 18.75
Pocket No.: 2; Query (leader) PDB : 4FDV; Ligand: 0UK; 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: 4fdv.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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