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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
2aqhNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.9

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2aqhNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.91.000
2aqkNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.739
2aqiNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.708
4dreNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.661
3of2NADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.630
2idzZIDEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.624
1enyNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.620
3oewNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.615
4dtiNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.599
3oeyNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.597
2ie0ZIDEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.582
4biiPYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.582
4dquNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.578
1zidZIDEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.547
5cpbNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.547
2h9iEADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.544
1bvrNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.542
2pr2DG1Enoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.542
1enzNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.540
4trnNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.537
2iebZIDEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.535
4bgePYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.528
4rlh0WEEnoyl-[acyl-carrier-protein] reductase [NADH]/0.527
2aq8NAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.522
4zjuNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.520
4bgiI4IEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.504
3uicNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.502
4bqpNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.496
2ntvP1HEnoyl-[acyl-carrier-protein] reductase [NADH]/0.478
3lqfNADGalactitol dehydrogenase/0.454
4o1mNADEnoyl-acyl carrier reductase/0.452
2vn0TDZCytochrome P450 2C8/0.448
5koiNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.446
4zowCLMMultidrug transporter MdfA/0.444