Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
Everill, P., Meinke, G., Bohm, A., Bachovchin, W.To be published.
Experimental Data Snapshot
wwPDB Validation   3D Report Full Report
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Alpha-lytic protease | 198 | Lysobacter enzymogenes | Mutation(s): 0  EC: 3.4.21.12 | ||
UniProt | |||||
Find proteins for P00778 (Lysobacter enzymogenes) Explore P00778  Go to UniProtKB:  P00778 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00778 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
TFA Query on TFA | L [auth A], M [auth A], N [auth A], T [auth C] | trifluoroacetic acid C2 H F3 O2 DTQVDTLACAAQTR-UHFFFAOYSA-N | |||
SO4 Query on SO4 | H [auth A] I [auth A] J [auth A] K [auth A] Q [auth C] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
EDO Query on EDO | E [auth A], F [auth A], G [auth A], O [auth C], P [auth C] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |
Entity ID: 2 | |||||
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ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_001069 Query on PRD_001069 | B, D | N-acetyl-L-alanyl-L-alanyl-N-[(2S)-1-hydroxypropan-2-yl]-L-prolinamide | Peptide-like / Inhibitor |
Length ( Å ) | Angle ( ˚ ) |
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a = 63.936 | α = 90 |
b = 63.936 | β = 90 |
c = 316.897 | γ = 120 |
Software Name | Purpose |
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MOLREP | phasing |
REFMAC | refinement |
PDB_EXTRACT | data extraction |