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Receptor
PDB id Resolution Class Description Source Keywords
1WOR 1.95 Å EC: 2.1.2.10 CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM THERMOTOGA MARITIMA AMINOMETHYLTRANSFERASE T-PROTEIN DIHYDROLIPOIC ACID
Ref.: CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM: COFACTOR BINDING, INSIGHTS INTO H-PROTEIN RECOGNITION, AND MOLECULAR BASIS FOR UNDERSTANDING NONKETOTIC HYPERGLYCINEMIA J.BIOL.CHEM. V. 279 50514 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RED A:900;
Valid;
none;
submit data
208.341 C8 H16 O2 S2 C(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOR 1.95 Å EC: 2.1.2.10 CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM THERMOTOGA MARITIMA AMINOMETHYLTRANSFERASE T-PROTEIN DIHYDROLIPOIC ACID
Ref.: CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM: COFACTOR BINDING, INSIGHTS INTO H-PROTEIN RECOGNITION, AND MOLECULAR BASIS FOR UNDERSTANDING NONKETOTIC HYPERGLYCINEMIA J.BIOL.CHEM. V. 279 50514 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RED; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RED 1 1
2 0L1 0.419355 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOR; Ligand: RED; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 1wor.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6FA4 D1W None
2 5W75 SUC 1.37363
3 5H2U 1N1 1.87266
4 3W68 4PT 1.8797
5 5F6U 5VK 1.91083
6 5LY1 PPI 1.92308
7 1L5Y BEF 1.93548
8 1F9V ADP 2.01729
9 5YX4 HCC 2.15517
10 3QSB 743 2.1978
11 5M90 JIF 2.1978
12 6AM8 TRP 2.1978
13 2Z3U CRR 2.47253
14 1VMK GUN 2.52708
15 1SDW IYT 2.54777
16 6D61 4AA 2.5641
17 3RF4 FUN 2.58621
18 3ZF8 GDP 2.62295
19 4MRP GSH 2.74725
20 4ZH7 FUC GAL NAG GAL FUC 2.74725
21 3H0L ADP 2.74725
22 3JU6 ANP 3.02198
23 4TVD BGC 3.02198
24 3BJE URA 3.15186
25 5MRH Q9Z 3.2967
26 3AVR OGA 3.2967
27 3TW1 AHN 3.37553
28 3VKX T3 3.44828
29 3CBC DBS 3.53535
30 1IUP ALQ 3.5461
31 4YJK URA 3.57143
32 5YJS SAL 3.57143
33 4MOB ADP 3.61446
34 6GNO XDI 3.7037
35 2YN4 39J 3.81356
36 5G48 1FL 3.84615
37 3A16 PXO 3.84615
38 1ELI PYC 3.84615
39 3NB0 G6P 3.84615
40 1H8S AIC 3.96825
41 3HCH RSM 4.10959
42 4RD0 GDP 4.12088
43 1I1E DM2 4.12088
44 5G3R NAG 4.26136
45 4WOE ADP 4.3956
46 5D9G GLU ASN LEU TYR PHE GLN 4.47154
47 5F7J ADE 5
48 5CLO NS8 5.08475
49 4WCX MET 5.21978
50 4YVN EBS 5.21978
51 5VKM GAL SIA 5.55556
52 3SAO DBH 5.625
53 5VNF VAL THR SER VAL VAL 5.73248
54 5YSN 5AD 5.76271
55 5DYO FLU 5.9633
56 2HPL ASP ASP LEU TYR GLY 6
57 4KBA 1QM 6.0423
58 1GG6 APL 6.18557
59 2VDF OCT 6.32411
60 5OCG 9R5 6.34921
61 4UYG 73B 6.36943
62 5KJW 53C 6.86813
63 4RF7 ARG 7.14286
64 2FKA BEF 7.75194
65 4FE2 AIR 7.84314
66 4YEF 4CQ 7.86517
67 3KP6 SAL 7.94702
68 3GUZ PAF 7.95455
69 5X7Q GLC GLC 7.96703
70 4RW3 TDA 8.60927
71 3QXV MTX 8.73016
72 4ITH RCM 8.84354
73 6ACS CIT 9.30233
74 3OQJ 3CX 9.33852
75 6EK3 OUL 9.50226
76 1MT1 AG2 9.73451
77 5F7Y GLC GAL NAG GAL FUC A2G 10
78 3AI3 SOE 10.6464
79 2QQC AG2 10.7143
80 1T0S BML 10.7143
81 5HWV MBN 10.7692
82 1EXF GLY 11.157
83 2XG5 EC5 11.5607
84 2XG5 EC2 11.5607
85 4RYV ZEA 11.6129
86 1OFL NGK GCD 11.8132
87 1NU4 MLA 12.3711
88 5TV6 PML 12.5
89 4HBM 0Y7 13.3333
90 1MFI FHC 14.0351
91 3QPB URA 14.1844
92 5NM7 GLY 15.4135
93 1UO5 PIH 17.6471
94 1F5F DHT 18.0488
95 5X1M DHB 34.3407
96 5X1M THG 34.3407
97 2G30 ALA ALA PHE 37.5
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