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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
4bgiI4IEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.9

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4bgiI4IEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.91.000
4bgePYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.754
4biiPYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.585
1bvrNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.567
5cpbNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.549
4rlh0WEEnoyl-[acyl-carrier-protein] reductase [NADH]/0.484
3oewNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.469
4dreNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.468
3of2NADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.465
4zjuNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.451
2aqhNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.444