A novel brain-tumor-inhibiting copper(II) compound based on a human serum albumin-cell penetrating peptide conjugate
Zhang, Z.L.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Serum albumin | A, B [auth I] | 581 | Homo sapiens | Mutation(s): 0  Gene Names: ALB, GIG20, GIG42, PRO0903, PRO1708, PRO2044, PRO2619, PRO2675, UNQ696/PRO1341 | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P02768 (Homo sapiens) Explore P02768  Go to UniProtKB:  P02768 | |||||
PHAROS:  P02768 GTEx:  ENSG00000163631  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P02768 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
E5O (Subject of Investigation/LOI) Query on E5O | I [auth A] | 2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine C11 H16 Br Cu N5 S NRJWSXGYYTZDRJ-JPMXUBAOSA-L | |||
PLM Query on PLM | C [auth A] D [auth A] E [auth A] F [auth A] G [auth A] | PALMITIC ACID C16 H32 O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 38.356 | α = 74.89 |
b = 93.523 | β = 89.68 |
c = 96.359 | γ = 80.04 |
Software Name | Purpose |
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PHENIX | refinement |
HKL-2000 | data scaling |
MOLREP | phasing |
HKL-2000 | data reduction |