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6YX1

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

Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue ARG A 803
ChainResidue
APHE676
AVAL677
AASP706
ATHR802
ALEU804
AHOH925

site_idAC2
Number of Residues7
Detailsbinding site for residue LEU A 804
ChainResidue
APHE676
AILE742
AARG803
AHOH925
AGLY673
APHE674
AGLY675

site_idAC3
Number of Residues4
Detailsbinding site for residue ARG B 803
ChainResidue
BVAL677
BASP706
BTHR802
BLEU804

site_idAC4
Number of Residues7
Detailsbinding site for residue LEU B 804
ChainResidue
BGLY673
BPHE674
BGLY675
BPHE676
BILE742
BTHR802
BARG803

site_idAC5
Number of Residues6
Detailsbinding site for Di-peptide PWT A 801 and THR A 802
ChainResidue
AVAL677
ALEU678
AGLY680
AHIS735
AARG736
AARG803

site_idAC6
Number of Residues10
Detailsbinding site for Di-peptide PWT B 801 and THR B 802
ChainResidue
BVAL677
BLEU678
BARG679
BGLY680
BHIS735
BARG736
BARG803
BLEU804
BHOH904
BHOH942

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"D3YZU1","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues94
DetailsDomain: {"description":"PDZ","evidences":[{"source":"PROSITE-ProRule","id":"PRU00143","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

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PDB entries from 2025-07-23

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