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Receptor
PDB id Resolution Class Description Source Keywords
2CJH 2 Å EC: 2.6.1.36 LYSINE AMINOTRANSFERASE FROM M. TUBERCULOSIS IN THE INTERNAL FORM WITH BOUND SUBSTRATE 2-KETOGLUTARATE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE INTERNAL ALDIMINE RV3290C AMINOTRANSFERASE
Ref.: DIRECT EVIDENCE FOR A GLUTAMATE SWITCH NECESSARY FO SUBSTRATE RECOGNITION: CRYSTAL STRUCTURES OF LYSINE EPSILON-AMINOTRANSFERASE (RV3290C) FROM MYCOBACTERI TUBERCULOSIS H37RV. J.MOL.BIOL. V. 362 877 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1451;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
PLP A:1450;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CJH 2 Å EC: 2.6.1.36 LYSINE AMINOTRANSFERASE FROM M. TUBERCULOSIS IN THE INTERNAL FORM WITH BOUND SUBSTRATE 2-KETOGLUTARATE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE INTERNAL ALDIMINE RV3290C AMINOTRANSFERASE
Ref.: DIRECT EVIDENCE FOR A GLUTAMATE SWITCH NECESSARY FO SUBSTRATE RECOGNITION: CRYSTAL STRUCTURES OF LYSINE EPSILON-AMINOTRANSFERASE (RV3290C) FROM MYCOBACTERI TUBERCULOSIS H37RV. J.MOL.BIOL. V. 362 877 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
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 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
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 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
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 : 2CJH; Ligand: AKG; Similar sites found with APoc: 80
This union binding pocket(no: 1) in the query (biounit: 2cjh.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3NUB UD0 1.11421
2 4JBL MET 1.17994
3 4ZAH T5K 1.51515
4 1E5F PLP 1.73267
5 1O69 X04 1.77665
6 2X1E X1E 1.96078
7 4M2K PLP 1.97044
8 2FNU PMP UD1 2.13333
9 1ONI BEZ 2.17391
10 6DND PLP 2.18978
11 5W70 9YM 2.22717
12 6BKA FMN 2.40642
13 1M32 PLP 2.45902
14 2WK9 PLG 2.57069
15 3ZRR PXG 2.60417
16 3FRK TQP 2.68097
17 5K8B PDG 2.72953
18 4Q4K FMN 2.80112
19 2Z9V PXM 2.80612
20 1B9I PXG 2.83505
21 3DR4 G4M 3.06905
22 2XBN PMP 3.27869
23 5W71 9YM 3.34076
24 5W71 PLP 3.34076
25 5U23 TQP 3.40314
26 5X2Z 3LM 3.76884
27 5X30 7XF 3.76884
28 3VP6 HLD 4.23163
29 4LNL PLG 4.5045
30 4LNL 2BK 4.5045
31 4LNL 2BO 4.5045
32 1K1Y MAL 4.67706
33 5M3Z PLP 4.77387
34 5M3Z NLE 4.77387
35 5M3Z PY6 4.77387
36 6CBN OZY 4.79452
37 1CL2 PPG 5.06329
38 2WW5 CHT 5.12249
39 6CBO DOW 5.46697
40 4AZJ SEP PLP 5.83333
41 5YKT PMP 6.4588
42 5VEQ PMP 6.4588
43 5W19 9TD 6.4588
44 4K2M O1G 6.77201
45 1LW4 PLP 6.91643
46 1LW4 TLP 6.91643
47 4HVK PMP 7.06806
48 5NM7 GLY 7.5188
49 3WGC PLG 9.38416
50 1DJ9 KAM 9.89583
51 1U08 PLP 10.6218
52 1LC8 33P 12.3626
53 2YKX AKG 12.6949
54 3B8X G4M 12.8205
55 1VJO PLP 17.3028
56 5KGS 6SR 19.5991
57 3A8U PLP 20.49
58 4B98 PXG 20.7589
59 4BA5 PXG 22.7171
60 3BS8 PMP 24.0535
61 3FQ8 PMP 29.9766
62 4AOA IK2 30.1762
63 4ZM4 PLP 30.5122
64 4ZM4 P3B 30.5122
65 5DDW 5B6 31.1804
66 5G09 6DF 33.1849
67 4UOX PLP 34.5212
68 4UOX PUT 34.5212
69 4UOX PLP PUT 34.5212
70 4E3Q PMP 35.412
71 4UHO PLP 36.5256
72 1MLY ACZ PLP 37.9953
73 2OAT PFM 39.6355
74 5G4J EXT 39.6437
75 6FYQ PLP 40.5345
76 1ZC9 PMP 40.6467
77 4ADC PLP 40.8867
78 1SFF IK2 42.2535
79 4ZSY RW2 42.9844
80 5WYF ILP 43.2071
Pocket No.: 2; Query (leader) PDB : 2CJH; 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: 2) in the query (biounit: 2cjh.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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