Identification of Novel Peptide Deformylase Inhibitors from Natural Products
Cui, K., Zhu, L., Lu, W., Huang, J.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Peptide deformylase 11 | 181 | Helicobacter pylori | Mutation(s): 0  Gene Names: def, def11 EC: 3.5.1.88 | ||
UniProt | |||||
Find proteins for Q672W7 (Helicobacter pylori) Explore Q672W7  Go to UniProtKB:  Q672W7 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q672W7 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
BB2 Query on BB2 | C [auth A] | ACTINONIN C19 H35 N3 O5 XJLATMLVMSFZBN-VYDXJSESSA-N | |||
EPE Query on EPE | D [auth A] | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID C8 H18 N2 O4 S JKMHFZQWWAIEOD-UHFFFAOYSA-N | |||
DMS Query on DMS | E [auth A], F [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N | |||
CO Query on CO | B [auth A] | COBALT (II) ION Co XLJKHNWPARRRJB-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 41.394 | α = 90 |
b = 51.779 | β = 90 |
c = 91.074 | γ = 90 |
Software Name | Purpose |
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HKL-2000 | data collection |
REFMAC | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |