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Receptor
PDB id Resolution Class Description Source Keywords
3SBZ 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF APO-MMACHC (1-244), A HUMAN B12 PROCESS HOMO SAPIENS MMACHC CBLC COBALAMIN FLAVIN GLUTATHIONE FLAVIN REDUCTAOXIDOREDUCTASE MATURASE
Ref.: STRUCTURAL BASIS OF MULTIFUNCTIONALITY IN A VITAMIN B12-PROCESSING ENZYME. J.BIOL.CHEM. V. 286 29780 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:303;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MLI A:300;
A:301;
A:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SBZ 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF APO-MMACHC (1-244), A HUMAN B12 PROCESS HOMO SAPIENS MMACHC CBLC COBALAMIN FLAVIN GLUTATHIONE FLAVIN REDUCTAOXIDOREDUCTASE MATURASE
Ref.: STRUCTURAL BASIS OF MULTIFUNCTIONALITY IN A VITAMIN B12-PROCESSING ENZYME. J.BIOL.CHEM. V. 286 29780 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3SBZ - MLI C3 H2 O4 C(C(=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 391 families.
1 3SBZ - MLI C3 H2 O4 C(C(=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 298 families.
1 3SBZ - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: 13
This union binding pocket(no: 1) in the query (biounit: 3sbz.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3UG4 AHR 1.98413
2 1I36 NAP 2.38095
3 2FNA ADP 3.1746
4 1OFD AKG 3.1746
5 1KPG SAH 3.57143
6 1TPY SAH 3.96825
7 4EDF UPG 4.7619
8 5Y6Q MCN 6.74603
9 3K5I ADP 7.14286
10 1L1E SAH 7.93651
11 4AR8 IP8 GLY PRO ALA 9.12698
12 3F6R FMN 9.45946
13 2HMT NAI 11.8056
Pocket No.: 2; Query (leader) PDB : 3SBZ; Ligand: MLI; 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: 3sbz.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: 111
This union binding pocket(no: 3) in the query (biounit: 3sbz.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZX ACE VAL LYS GLU SER LEU VAL None
2 4R57 ACO None
3 3AIA SAM 0.947867
4 1FP2 SAH 1.19048
5 5BSZ SAH 1.2
6 1X8X TYR 1.5873
7 4U03 GTP 1.5873
8 4U03 TLL 1.5873
9 3BBH SFG 1.95122
10 3PE2 E1B 1.98413
11 4WAS COO 1.98413
12 1JIL 485 1.98413
13 1N9G NAP 1.98413
14 4WAS NAP 1.98413
15 2R4J 13P 2.38095
16 2R4J FAD 2.38095
17 2OJW ADP 2.38095
18 5VWK PRO ALA TRP ASP GLU THR ASN LEU 2.45902
19 1I1D 16G 2.48447
20 3WG6 NDP 2.77778
21 5A04 BGC 2.77778
22 4LO6 SIA GAL 2.77778
23 3P9C SAH 2.77778
24 4B2D FBP 2.77778
25 4IP7 FBP 2.77778
26 3BXO SAM 2.92887
27 6F8B CXH 3.1746
28 4PJT 2YQ 3.1746
29 4CJN QNZ 3.1746
30 6BHV DQV 3.1746
31 4P5E N6P 3.28947
32 4JIZ TYR HIS SEP VAL VAL ARG TYR ALA 3.48837
33 1Q19 APC 3.57143
34 1D9I 00P 3.57143
35 2FGE ALA ALA LEU THR ARG ALA 3.57143
36 3NK7 SAM 3.57143
37 5F3I 5UJ 3.57143
38 3MQG ACO 3.64583
39 1WLJ U5P 3.7037
40 5YSI NCA 3.94737
41 2Z3U CRR 3.96825
42 1E5Q NDP 3.96825
43 5ICE SAH 3.96825
44 5ICE 2H4 3.96825
45 3AQV TAK 3.98551
46 1YRE COA 4.06091
47 4F8L AES 4.13793
48 1ZGA SAH 4.20168
49 5YYF PHQ GLN THR ALA ARG LYS NH2 FOA 4.25532
50 4NBI D3Y 4.26829
51 5CFQ 1SY 4.27807
52 6A1G 9OL 4.36508
53 1KYZ SAH 4.36508
54 1KYZ FER 4.36508
55 2I7C AAT 4.36508
56 2ZW5 COA 4.36508
57 2BYS LOB 4.40529
58 5MZY 8EZ 4.43548
59 5MZI FAD 4.7619
60 5MZI FYK 4.7619
61 1FP1 SAH 4.7619
62 3C88 ARG ARG GLY CYS NH2 4.7619
63 4OM8 NAD 4.7619
64 4YUW S4M 4.7619
65 4YUW 4JU 4.7619
66 1J71 THR ILE THR SER 4.7619
67 2XCU C5P 4.7619
68 5MJI 7O6 4.7619
69 1GJC 130 4.7619
70 5O96 SAM 4.89796
71 2D4V NAD 5.15873
72 4PYW ACE THR THR ALA ILE NH2 5.15873
73 3ZV6 NAD 5.15873
74 4C2C ALA ALA ALA 5.55556
75 4C2G ALA ALA ALA ALA 5.55556
76 5ALC TIQ 5.55556
77 6B3A SAM 5.55556
78 2E1T MLC 5.95238
79 6CDG PRO GLY LEU TRP LYS SER 5.98802
80 1M48 FRG 6.01504
81 4Z5W TYS ILE TYS THR GLN 6.34921
82 3LVW GSH 6.34921
83 4CNE SAH 6.34921
84 5A7Y SAH 6.41026
85 1O5I NAD 6.4257
86 3QX9 ATP 6.52174
87 3N39 FMN 6.53595
88 2O07 MTA 6.74603
89 2O07 SPD 6.74603
90 2QFY AKG 6.74603
91 5H5F SAM 6.83761
92 3WR7 COA 7.05882
93 3B82 NAD 7.24638
94 1P9P SAH 7.27969
95 1XK9 P34 7.44186
96 1O7Q UDP 7.93651
97 3C2O NTM 7.93651
98 4MCC 21X 8.13008
99 3TKY SAH 8.73016
100 5C8L GLC 9.89011
101 2PHN GDP 10.3175
102 2FP2 TSA 10.8434
103 1H65 GDP 11.1111
104 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 11.1111
105 5L0U 660 11.9048
106 6GU6 1QK 11.9048
107 1GS5 ANP 11.9048
108 1GS5 NLG 11.9048
109 4ONT SIA GAL BGC 13.9535
110 2ZFZ ARG 17.7215
111 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 27.3684
Pocket No.: 4; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3sbz.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: 2
This union binding pocket(no: 5) in the query (biounit: 3sbz.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5TS5 FAD 2.77778
2 1VBJ NAP 3.57143
Pocket No.: 6; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3sbz.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: 8
This union binding pocket(no: 7) in the query (biounit: 3sbz.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1KPH SAH 3.13589
2 1IHU ADP 3.1746
3 1IHU AF3 3.1746
4 6GH3 M1P 3.1746
5 4EWH T77 4.36508
6 1DLJ UGA 4.36508
7 1F8Y 5MD 4.4586
8 4N82 FMN 6.74157
Pocket No.: 8; Query (leader) PDB : 3SBZ; Ligand: MLI; Similar sites found with APoc: 6
This union binding pocket(no: 8) in the query (biounit: 3sbz.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5N5U 7N8 2.38095
2 1H82 GZZ 2.77778
3 1DL5 SAH 2.77778
4 3AB4 LYS 5.95238
5 5M45 AMP 8.33333
6 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 11.3924
Pocket No.: 9; Query (leader) PDB : 3SBZ; Ligand: MLI; 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: 3sbz.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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