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6YX1

Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
SH3 and multiple ankyrin repeat domains protein 1polymer11212341.32UniProt (Q9Y566)
Pfam (PF17820)
Homo sapiens (Human)Shank1,Somatostatin receptor-interacting protein,SSTRIP
2C, G
(A, B)
2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acidnon-polymer264.32Chemie (PWT)
3D, H
(A, B)
THREONINEnon-polymer119.12Chemie (THR)
4E, I
(A, B)
ARGININEnon-polymer175.22Chemie (ARG)
5F, J
(A, B)
LEUCINEnon-polymer131.22Chemie (LEU)
6K, L
(A, B)
waterwater18.0113Chemie (HOH)
Sequence modifications
A, B: 654 - 762 (UniProt: Q9Y566)
PDBExternal DatabaseDetails
Gly 651-expression tag
Pro 652-expression tag
Leu 653-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight24682.6
Non-Polymers*Number of molecules8
Total formula weight1379.6
All*Total formula weight26062.1
*Water molecules are not included.

239149

PDB entries from 2025-07-23

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